DrugBank ID Drug Name Target ID Gene Symbol UniProt ID UniProt Entry Regulation Type PubMed IDs Citations Groups Direct Classification Detailed Classification Categories SMILES PubChem ID Pathways Pathway Sources KEGG Pathway IDs DPD PubChem Substance KEGG Drug PharmGKB UniProtKB TTD Wikipedia ChEMBL RxCUI DB00002 Cetuximab BE0000767 EGFR P00533 EGFR_HUMAN binder 11752352; 15821783 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Harding J, Burtness B: Cetuximab: an epidermal growth factor receptor chemeric human-murine monoclonal antibody. Drugs Today (Barc). 2005 Feb;41(2):107-27. doi: 10.1358/dot.2005.41.2.882662." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; EGFR (Epidermal Growth Factor Receptor) inhibitors; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; HER1 Antagonists; Proteins; Antineoplastic Agents; Immunoglobulins; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Epidermal Growth Factor Receptor Antagonist; Narrow Therapeutic Index Drugs; Blood Proteins" Cetuximab Action Pathway drug_action 13175 46507042 D03455 PA10040 DNC000788 Cetuximab CHEMBL1201577 318341 DB00002 Cetuximab BE0000710 FCGR1A P12314 FCGR1_HUMAN binder 7547242 "Negri DR, Tosi E, Valota O, Ferrini S, Cambiaggi A, Sforzini S, Silvani A, Ruffini PA, Colnaghi MI, Canevari S: In vitro and in vivo stability and anti-tumour efficacy of an anti-EGFR/anti-CD3 F(ab')2 bispecific monoclonal antibody. Br J Cancer. 1995 Oct;72(4):928-33." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; EGFR (Epidermal Growth Factor Receptor) inhibitors; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; HER1 Antagonists; Proteins; Antineoplastic Agents; Immunoglobulins; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Epidermal Growth Factor Receptor Antagonist; Narrow Therapeutic Index Drugs; Blood Proteins" Cetuximab Action Pathway drug_action 13175 46507042 D03455 PA10040 DNC000788 Cetuximab CHEMBL1201577 318341 DB00004 Denileukin diftitox BE0000658 IL2RA P01589 IL2RA_HUMAN binder 2786749; 3124610; 18684057; 17187516 "Kiyokawa T, Shirono K, Hattori T, Nishimura H, Yamaguchi K, Nichols JC, Strom TB, Murphy JR, Takatsuki K: Cytotoxicity of interleukin 2-toxin toward lymphocytes from patients with adult T-cell leukemia. Cancer Res. 1989 Jul 15;49(14):4042-6.@@Murphy JR, Kelley VE, Strom TB: Interleukin 2 toxin: a step toward selective immunomodulation. Am J Kidney Dis. 1988 Feb;11(2):159-62.@@Duvic M, Talpur R: Optimizing denileukin diftitox (Ontak) therapy. Future Oncol. 2008 Aug;4(4):457-69. doi: 10.2217/14796694.4.4.457.@@Turturro F: Denileukin diftitox: a biotherapeutic paradigm shift in the treatment of lymphoid-derived disorders. Expert Rev Anticancer Ther. 2007 Jan;7(1):11-7." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Interleukins; Enzymes and Coenzymes; Transferases; Amino Acids, Peptides, and Proteins; Immunotherapy; ADP Ribose Transferases; Toxins, Biological; Proteins; Antineoplastic Agents; Enzymes; Lymphokines; Biological Factors; Bacterial Toxins; Peptides; Pentosyltransferases; Cytokines; Glycosyltransferases; Recombinant Proteins; Antineoplastic and Immunomodulating Agents; CD25-directed Cytotoxin; Narrow Therapeutic Index Drugs" 46506950 PA164750594 P00587 DAP001098 Denileukin_diftitox CHEMBL1201550 214470 DB00004 Denileukin diftitox BE0000651 IL2RB P14784 IL2RB_HUMAN agonist 15811959; 16516670; 18684057; 17187516; 11752352 "Foss F, Demierre MF, DiVenuti G: A phase-1 trial of bexarotene and denileukin diftitox in patients with relapsed or refractory cutaneous T-cell lymphoma. Blood. 2005 Jul 15;106(2):454-7. Epub 2005 Apr 5.@@Foss F: Clinical experience with denileukin diftitox (ONTAK). Semin Oncol. 2006 Feb;33(1 Suppl 3):S11-6.@@Duvic M, Talpur R: Optimizing denileukin diftitox (Ontak) therapy. Future Oncol. 2008 Aug;4(4):457-69. doi: 10.2217/14796694.4.4.457.@@Turturro F: Denileukin diftitox: a biotherapeutic paradigm shift in the treatment of lymphoid-derived disorders. Expert Rev Anticancer Ther. 2007 Jan;7(1):11-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Interleukins; Enzymes and Coenzymes; Transferases; Amino Acids, Peptides, and Proteins; Immunotherapy; ADP Ribose Transferases; Toxins, Biological; Proteins; Antineoplastic Agents; Enzymes; Lymphokines; Biological Factors; Bacterial Toxins; Peptides; Pentosyltransferases; Cytokines; Glycosyltransferases; Recombinant Proteins; Antineoplastic and Immunomodulating Agents; CD25-directed Cytotoxin; Narrow Therapeutic Index Drugs" 46506950 PA164750594 P00587 DAP001098 Denileukin_diftitox CHEMBL1201550 214470 DB00004 Denileukin diftitox BE0002102 IL2RG P31785 IL2RG_HUMAN 15811959; 16516670; 11707860 "Foss F, Demierre MF, DiVenuti G: A phase-1 trial of bexarotene and denileukin diftitox in patients with relapsed or refractory cutaneous T-cell lymphoma. Blood. 2005 Jul 15;106(2):454-7. Epub 2005 Apr 5.@@Foss F: Clinical experience with denileukin diftitox (ONTAK). Semin Oncol. 2006 Feb;33(1 Suppl 3):S11-6.@@Foss FM: DAB(389)IL-2 (denileukin diftitox, ONTAK): a new fusion protein technology. Clin Lymphoma. 2000 Nov;1 Suppl 1:S27-31." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Interleukins; Enzymes and Coenzymes; Transferases; Amino Acids, Peptides, and Proteins; Immunotherapy; ADP Ribose Transferases; Toxins, Biological; Proteins; Antineoplastic Agents; Enzymes; Lymphokines; Biological Factors; Bacterial Toxins; Peptides; Pentosyltransferases; Cytokines; Glycosyltransferases; Recombinant Proteins; Antineoplastic and Immunomodulating Agents; CD25-directed Cytotoxin; Narrow Therapeutic Index Drugs" 46506950 PA164750594 P00587 DAP001098 Denileukin_diftitox CHEMBL1201550 214470 DB00005 Etanercept BE0001087 LTA P01374 TNFB_HUMAN antibody 11302411; 15005015; 15033655 "Johnson CJ, Reilly KM, Murray KM: Etanercept in juvenile rheumatoid arthritis. Ann Pharmacother. 2001 Apr;35(4):464-71.@@Gudbrandsdottir S, Larsen R, Sorensen LK, Nielsen S, Hansen MB, Svenson M, Bendtzen K, Muller K: TNF and LT binding capacities in the plasma of arthritis patients: effect of etanercept treatment in juvenile idiopathic arthritis. Clin Exp Rheumatol. 2004 Jan-Feb;22(1):118-24.@@Buch MH, Conaghan PG, Quinn MA, Bingham SJ, Veale D, Emery P: True infliximab resistance in rheumatoid arthritis: a role for lymphotoxin alpha? Ann Rheum Dis. 2004 Oct;63(10):1344-6. Epub 2004 Mar 19." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Anti-Inflammatory Agents; Immunoproteins; Dermatologicals; Tumor Necrosis Factor Blockers; Amino Acids, Peptides, and Proteins; Antibodies; Immunoglobulin Isotypes; Immunoglobulin Constant Regions; Biologics for Rheumatoid Arthritis Treatment; Immunologic Factors; Tumor necrosis factor alpha (TNF-alpha) inhibitors; Proteins; Disease-modifying Antirheumatic Agents; Membrane Proteins; Immunoglobulin Fc Fragments; Peptides; Agents reducing cytokine levels; Biological Products; Immunosuppressive Agents; Antirheumatic Agents; Immunoglobulin Fragments" 12032 46506732 D00742 PA449515 P20333 DNC000605 Etanercept CHEMBL1201572 214555 DB00005 Etanercept BE0000710 FCGR1A P12314 FCGR1_HUMAN ligand 27463856; 19128982 "Hofmann HP, Kronthaler U, Fritsch C, Grau R, Muller SO, Mayer R, Seidl A, Da Silva A: Characterization and non-clinical assessment of the proposed etanercept biosimilar GP2015 with originator etanercept (Enbrel((R))). Expert Opin Biol Ther. 2016 Oct;16(10):1185-95. doi: 10.1080/14712598.2016.1217329. Epub 2016 Aug 16.@@Arora T, Padaki R, Liu L, Hamburger AE, Ellison AR, Stevens SR, Louie JS, Kohno T: Differences in binding and effector functions between classes of TNF antagonists. Cytokine. 2009 Feb;45(2):124-31. doi: 10.1016/j.cyto.2008.11.008. Epub 2009 Jan 6." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Anti-Inflammatory Agents; Immunoproteins; Dermatologicals; Tumor Necrosis Factor Blockers; Amino Acids, Peptides, and Proteins; Antibodies; Immunoglobulin Isotypes; Immunoglobulin Constant Regions; Biologics for Rheumatoid Arthritis Treatment; Immunologic Factors; Tumor necrosis factor alpha (TNF-alpha) inhibitors; Proteins; Disease-modifying Antirheumatic Agents; Membrane Proteins; Immunoglobulin Fc Fragments; Peptides; Agents reducing cytokine levels; Biological Products; Immunosuppressive Agents; Antirheumatic Agents; Immunoglobulin Fragments" 12032 46506732 D00742 PA449515 P20333 DNC000605 Etanercept CHEMBL1201572 214555 DB00007 Leuprolide BE0000203 GNRHR P30968 GNRHR_HUMAN agonist 16809153; 10687850; 9625809; 15758569; 10394541 "Castellon E, Clementi M, Hitschfeld C, Sanchez C, Benitez D, Saenz L, Contreras H, Huidobro C: Effect of leuprolide and cetrorelix on cell growth, apoptosis, and GnRH receptor expression in primary cell cultures from human prostate carcinoma. Cancer Invest. 2006 Apr-May;24(3):261-8.@@Borroni R, Di Blasio AM, Gaffuri B, Santorsola R, Busacca M, Vigano P, Vignali M: Expression of GnRH receptor gene in human ectopic endometrial cells and inhibition of their proliferation by leuprolide acetate. Mol Cell Endocrinol. 2000 Jan 25;159(1-2):37-43.@@Imai A, Takagi A, Horibe S, Takagi H, Tamaya T: Fas and Fas ligand system may mediate antiproliferative activity of gonadotropin-releasing hormone receptor in endometrial cancer cells. Int J Oncol. 1998 Jul;13(1):97-100.@@Murase M, Uemura T, Gao M, Inada M, Funabashi T, Hirahara F: GnRH antagonist-induced down-regulation of the mRNA expression of pituitary receptors: comparisons with GnRH agonist effects. Endocr J. 2005 Feb;52(1):131-7.@@Khurana KK, Singh SB, Tatum AH, Schulz V, Badawy SZ: Maintenance of increased Bcl-2 expression in uterine leiomyomas after GnRH agonist therapy. J Reprod Med. 1999 Jun;44(6):487-92." Approved; Investigational "Pituitary Hormone-Releasing Hormones; Fertility Agents, Female; Gonadotropin-releasing hormone agonist; QTc Prolonging Agents; Hyperglycemia-Associated Agents; Gonadotropin Releasing Hormone Receptor Agonist; Amino Acids, Peptides, and Proteins; Nerve Tissue Proteins; Gonadotropins; Photosensitizing Agents; Proteins; Drugs that are Mainly Renally Excreted; Fertility Agents; Antineoplastic Agents; Agents Causing Muscle Toxicity; Adrenal Cortex Hormones; Oligopeptides; Drugs causing inadvertant photosensitivity; Gonadotropin Releasing Hormone Receptor Agonists; Neuropeptides; Peptides; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Hormones and Related Agents; Hypothalamic Hormones; Antineoplastic Agents, Hormonal; Moderate Risk QTc-Prolonging Agents; Reproductive Control Agents" CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1 23683 46507635 D08113 PA450203 DAP000020 Leuprorelin CHEMBL1201199 42375 DB00008 Peginterferon alfa-2a BE0000385 IFNAR2 P48551 INAR2_HUMAN agonist 15898717; 16953837; 19955815; 11752352 "Dhalluin C, Ross A, Huber W, Gerber P, Brugger D, Gsell B, Senn H: Structural, kinetic, and thermodynamic analysis of the binding of the 40 kDa PEG-interferon-alpha2a and its individual positional isomers to the extracellular domain of the receptor IFNAR2. Bioconjug Chem. 2005 May-Jun;16(3):518-27.@@Yano H, Ogasawara S, Momosaki S, Akiba J, Kojiro S, Fukahori S, Ishizaki H, Kuratomi K, Basaki Y, Oie S, Kuwano M, Kojiro M: Growth inhibitory effects of pegylated IFN alpha-2b on human liver cancer cells in vitro and in vivo. Liver Int. 2006 Oct;26(8):964-75.@@Ishii K, Shinohara M, Sawa M, Kogame M, Higami K, Sano M, Morita T, Sumino Y: Interferon alpha receptor 2 expression by peripheral blood monocytes in patients with a high viral load of hepatitis C virus genotype 1 showing substitution of amino Acid 70 in the core region. Intervirology. 2010;53(2):105-10. doi: 10.1159/000264200. Epub 2009 Dec 3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drug Carriers; Myelosuppressive Agents; Antiviral Agents; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Amino Acids, Peptides, and Proteins; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Glycols; Alcohols; Cytochrome P-450 CYP1A2 Inhibitors; Macromolecular Substances; Proteins; Treatments for Hepatitis C; Interferons; Antineoplastic Agents; Biological Factors; Hepatotoxic Agents; Peptides; Cytokines; Compounds used in a research, industrial, or household setting; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Interferon alpha; Polymers; Narrow Therapeutic Index Drugs; Ethylene Glycols; Pegylated agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons" 13246 46504860 PA164749390 P01563 DAP001278 Peginterferon_alfa-2a CHEMBL1201560 120608 DB00008 Peginterferon alfa-2a BE0000661 IFNAR1 P17181 INAR1_HUMAN agonist 15898717; 16953837; 19955815; 11752352 "Dhalluin C, Ross A, Huber W, Gerber P, Brugger D, Gsell B, Senn H: Structural, kinetic, and thermodynamic analysis of the binding of the 40 kDa PEG-interferon-alpha2a and its individual positional isomers to the extracellular domain of the receptor IFNAR2. Bioconjug Chem. 2005 May-Jun;16(3):518-27.@@Yano H, Ogasawara S, Momosaki S, Akiba J, Kojiro S, Fukahori S, Ishizaki H, Kuratomi K, Basaki Y, Oie S, Kuwano M, Kojiro M: Growth inhibitory effects of pegylated IFN alpha-2b on human liver cancer cells in vitro and in vivo. Liver Int. 2006 Oct;26(8):964-75.@@Ishii K, Shinohara M, Sawa M, Kogame M, Higami K, Sano M, Morita T, Sumino Y: Interferon alpha receptor 2 expression by peripheral blood monocytes in patients with a high viral load of hepatitis C virus genotype 1 showing substitution of amino Acid 70 in the core region. Intervirology. 2010;53(2):105-10. doi: 10.1159/000264200. Epub 2009 Dec 3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drug Carriers; Myelosuppressive Agents; Antiviral Agents; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Amino Acids, Peptides, and Proteins; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Glycols; Alcohols; Cytochrome P-450 CYP1A2 Inhibitors; Macromolecular Substances; Proteins; Treatments for Hepatitis C; Interferons; Antineoplastic Agents; Biological Factors; Hepatotoxic Agents; Peptides; Cytokines; Compounds used in a research, industrial, or household setting; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Interferon alpha; Polymers; Narrow Therapeutic Index Drugs; Ethylene Glycols; Pegylated agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons" 13246 46504860 PA164749390 P01563 DAP001278 Peginterferon_alfa-2a CHEMBL1201560 120608 DB00011 Interferon alfa-n1 BE0000661 IFNAR1 P17181 INAR1_HUMAN agonist 17139284; 17016423; 10822464; 19955815; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Krown SE: Interferon treatment of renal cell carcinoma. Current status and future prospects. Cancer. 1987 Feb 1;59(3 Suppl):647-51.@@Ishii K, Shinohara M, Sawa M, Kogame M, Higami K, Sano M, Morita T, Sumino Y: Interferon alpha receptor 2 expression by peripheral blood monocytes in patients with a high viral load of hepatitis C virus genotype 1 showing substitution of amino Acid 70 in the core region. Intervirology. 2010;53(2):105-10. doi: 10.1159/000264200. Epub 2009 Dec 3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Antiviral Agents; Biological Factors; Intercellular Signaling Peptides and Proteins; Cytochrome P-450 Enzyme Inhibitors; Peptides; Adjuvants, Immunologic; Interferon Type I; Cytochrome P-450 CYP1A2 Inhibitors; Cytokines; Proteins; Interferons; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" 7651 46506227 PA164746538 P01563 DAP001280 CHEMBL2108509 202912 DB00011 Interferon alfa-n1 BE0000385 IFNAR2 P48551 INAR2_HUMAN agonist 17139284; 17016423; 10822464; 19955815; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Krown SE: Interferon treatment of renal cell carcinoma. Current status and future prospects. Cancer. 1987 Feb 1;59(3 Suppl):647-51.@@Ishii K, Shinohara M, Sawa M, Kogame M, Higami K, Sano M, Morita T, Sumino Y: Interferon alpha receptor 2 expression by peripheral blood monocytes in patients with a high viral load of hepatitis C virus genotype 1 showing substitution of amino Acid 70 in the core region. Intervirology. 2010;53(2):105-10. doi: 10.1159/000264200. Epub 2009 Dec 3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Antiviral Agents; Biological Factors; Intercellular Signaling Peptides and Proteins; Cytochrome P-450 Enzyme Inhibitors; Peptides; Adjuvants, Immunologic; Interferon Type I; Cytochrome P-450 CYP1A2 Inhibitors; Cytokines; Proteins; Interferons; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" 7651 46506227 PA164746538 P01563 DAP001280 CHEMBL2108509 202912 DB00013 Urokinase BE0000717 PLAUR Q03405 UPAR_HUMAN inducer 12615913; 12817472; 14679304; 14688365; 14720519; 17327908 "Czekay RP, Aertgeerts K, Curriden SA, Loskutoff DJ: Plasminogen activator inhibitor-1 detaches cells from extracellular matrices by inactivating integrins. J Cell Biol. 2003 Mar 3;160(5):781-91.@@Fuchs T, Allgayer H: Transcriptional regulation of the urokinase receptor (u-PAR)--a central molecule of invasion and metastasis. Biol Chem. 2003 May;384(5):755-61.@@Kanse SM, Chavakis T, Al-Fakhri N, Hersemeyer K, Monard D, Preissner KT: Reciprocal regulation of urokinase receptor (CD87)-mediated cell adhesion by plasminogen activator inhibitor-1 and protease nexin-1. J Cell Sci. 2004 Jan 26;117(Pt 3):477-85. Epub 2003 Dec 16.@@Beaufort N, Leduc D, Rousselle JC, Magdolen V, Luther T, Namane A, Chignard M, Pidard D: Proteolytic regulation of the urokinase receptor/CD87 on monocytic cells by neutrophil elastase and cathepsin G. J Immunol. 2004 Jan 1;172(1):540-9.@@Guerrero J, Santibanez JF, Gonzalez A, Martinez J: EGF receptor transactivation by urokinase receptor stimulus through a mechanism involving Src and matrix metalloproteinases. Exp Cell Res. 2004 Jan 1;292(1):201-8.@@Gutova M, Najbauer J, Gevorgyan A, Metz MZ, Weng Y, Shih CC, Aboody KS: Identification of uPAR-positive chemoresistant cells in small cell lung cancer. PLoS One. 2007 Feb 28;2(2):e243." Approved; Investigational; Withdrawn Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Increased Thrombolysis; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Urokinase-Type Plasminogen Activator, antagonists & inhibitors; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Peptide Hydrolases; Blood Proteins; Endopeptidases" Urokinase Action Pathway drug_action 2012 46506299 PA451836 P00749 DAP001194 Urokinase CHEMBL1201420 11055 DB00013 Urokinase BE0000942 LRP2 P98164 LRP2_HUMAN substrate 17139284; 17016423; 8241286; 1280065; 7959795 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kanalas JJ: Effect of the nephritogenic autoantibody of Heymann's nephritis on plasminogen-binding to gp330 and activation by urokinase. Biochim Biophys Acta. 1993 Nov 25;1225(1):101-6.@@Kanalas JJ: Analysis of plasmin binding and urokinase activation of plasminogen bound to the Heymann nephritis autoantigen, gp330. Arch Biochem Biophys. 1992 Dec;299(2):255-60.@@Korenberg JR, Argraves KM, Chen XN, Tran H, Strickland DK, Argraves WS: Chromosomal localization of human genes for the LDL receptor family member glycoprotein 330 (LRP2) and its associated protein RAP (LRPAP1). Genomics. 1994 Jul 1;22(1):88-93." Approved; Investigational; Withdrawn Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Increased Thrombolysis; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Urokinase-Type Plasminogen Activator, antagonists & inhibitors; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Peptide Hydrolases; Blood Proteins; Endopeptidases" Urokinase Action Pathway drug_action 2012 46506299 PA451836 P00749 DAP001194 Urokinase CHEMBL1201420 11055 DB00014 Goserelin BE0000134 LHCGR P22888 LSHR_HUMAN agonist 17139284; 17016423; 20053189 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kirby RS, Fitzpatrick JM, Clarke N: Abarelix and other gonadotrophin-releasing hormone antagonists in prostate cancer. BJU Int. 2009 Dec;104(11):1580-4. doi: 10.1111/j.1464-410X.2009.08924.x." Approved Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Pituitary Hormone-Releasing Hormones; Gonadotropin-releasing hormone agonist; QTc Prolonging Agents; Hyperglycemia-Associated Agents; Gonadotropin Releasing Hormone Receptor Agonist; Amino Acids, Peptides, and Proteins; Miscellaneous Therapeutic Agents; Nerve Tissue Proteins; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Hormones; Adrenal Cortex Hormones; Oligopeptides; Gonadotropin Releasing Hormone Receptor Agonists; Neuropeptides; Peptides; Gonadotropins and Antigonadotropins; Antineoplastic and Immunomodulating Agents; Peptide Hormones; Endocrine Therapy; Hormones and Related Agents; Hypothalamic Hormones; Antineoplastic Agents, Hormonal; Moderate Risk QTc-Prolonging Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O 11167 46507336 D00573 PA164747674 DAP000023 Goserelin CHEMBL1201247 50610 DB00014 Goserelin BE0000203 GNRHR P30968 GNRHR_HUMAN agonist 20053189 "Kirby RS, Fitzpatrick JM, Clarke N: Abarelix and other gonadotrophin-releasing hormone antagonists in prostate cancer. BJU Int. 2009 Dec;104(11):1580-4. doi: 10.1111/j.1464-410X.2009.08924.x." Approved Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Pituitary Hormone-Releasing Hormones; Gonadotropin-releasing hormone agonist; QTc Prolonging Agents; Hyperglycemia-Associated Agents; Gonadotropin Releasing Hormone Receptor Agonist; Amino Acids, Peptides, and Proteins; Miscellaneous Therapeutic Agents; Nerve Tissue Proteins; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Hormones; Adrenal Cortex Hormones; Oligopeptides; Gonadotropin Releasing Hormone Receptor Agonists; Neuropeptides; Peptides; Gonadotropins and Antigonadotropins; Antineoplastic and Immunomodulating Agents; Peptide Hormones; Endocrine Therapy; Hormones and Related Agents; Hypothalamic Hormones; Antineoplastic Agents, Hormonal; Moderate Risk QTc-Prolonging Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O 11167 46507336 D00573 PA164747674 DAP000023 Goserelin CHEMBL1201247 50610 DB00017 Salmon calcitonin BE0000431 CALCR P30988 CALCR_HUMAN agonist 3004987; 7610922; 9231703; 11752352 "Bouizar Z, Fouchereau-Peron M, Taboulet J, Moukhtar MS, Milhaud G: Purification and characterization of calcitonin receptors in rat kidney membranes by covalent cross-linking techniques. Eur J Biochem. 1986 Feb 17;155(1):141-7.@@Stroop SD, Moore EE: Intracellular calcium increases mediated by a recombinant human calcitonin receptor. J Bone Miner Res. 1995 Apr;10(4):524-32.@@Sarkar A, Dickerson IM: Cloning, characterization, and expression of a calcitonin receptor from guinea pig brain. J Neurochem. 1997 Aug;69(2):455-64.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Parathyroid and Antiparathyroid Agents; Amino Acids, Peptides, and Proteins; Bone Density, drug effects; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Nerve Tissue Proteins; Proteins; Drugs that are Mainly Renally Excreted; Hormones; Thyroid Products; Calcium-Regulating Hormones and Agents; Neuropeptides; Peptides; Calcium Homeostasis; Peptide Hormones; Calcitonin Preparations; Parathyroid Hormones and Analogues; Bone Density Conservation Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" 13186 46506061 D00249 PA448715 P01263 DAP001302 Calcitonin 36118 DB00018 Interferon alfa-n3 BE0000661 IFNAR1 P17181 INAR1_HUMAN agonist 17139284; 17016423; 15898717; 19955815; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Dhalluin C, Ross A, Huber W, Gerber P, Brugger D, Gsell B, Senn H: Structural, kinetic, and thermodynamic analysis of the binding of the 40 kDa PEG-interferon-alpha2a and its individual positional isomers to the extracellular domain of the receptor IFNAR2. Bioconjug Chem. 2005 May-Jun;16(3):518-27.@@Ishii K, Shinohara M, Sawa M, Kogame M, Higami K, Sano M, Morita T, Sumino Y: Interferon alpha receptor 2 expression by peripheral blood monocytes in patients with a high viral load of hepatitis C virus genotype 1 showing substitution of amino Acid 70 in the core region. Intervirology. 2010;53(2):105-10. doi: 10.1159/000264200. Epub 2009 Dec 3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Immunosuppressive Agents; Myelosuppressive Agents; Interferon alpha; Biological Factors; Intercellular Signaling Peptides and Proteins; Cytochrome P-450 Enzyme Inhibitors; Peptides; Interferon Type I; Cytochrome P-450 CYP1A2 Inhibitors; Cytokines; Proteins; Interferons; Interferon-alpha; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons" 46508902 PA164746228 DAP001281 Interferon_alpha-n3 CHEMBL2109047 612937 DB00018 Interferon alfa-n3 BE0000385 IFNAR2 P48551 INAR2_HUMAN agonist 17139284; 17016423; 15898717; 19955815; 16953837; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Dhalluin C, Ross A, Huber W, Gerber P, Brugger D, Gsell B, Senn H: Structural, kinetic, and thermodynamic analysis of the binding of the 40 kDa PEG-interferon-alpha2a and its individual positional isomers to the extracellular domain of the receptor IFNAR2. Bioconjug Chem. 2005 May-Jun;16(3):518-27.@@Ishii K, Shinohara M, Sawa M, Kogame M, Higami K, Sano M, Morita T, Sumino Y: Interferon alpha receptor 2 expression by peripheral blood monocytes in patients with a high viral load of hepatitis C virus genotype 1 showing substitution of amino Acid 70 in the core region. Intervirology. 2010;53(2):105-10. doi: 10.1159/000264200. Epub 2009 Dec 3.@@Yano H, Ogasawara S, Momosaki S, Akiba J, Kojiro S, Fukahori S, Ishizaki H, Kuratomi K, Basaki Y, Oie S, Kuwano M, Kojiro M: Growth inhibitory effects of pegylated IFN alpha-2b on human liver cancer cells in vitro and in vivo. Liver Int. 2006 Oct;26(8):964-75.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Immunosuppressive Agents; Myelosuppressive Agents; Interferon alpha; Biological Factors; Intercellular Signaling Peptides and Proteins; Cytochrome P-450 Enzyme Inhibitors; Peptides; Interferon Type I; Cytochrome P-450 CYP1A2 Inhibitors; Cytokines; Proteins; Interferons; Interferon-alpha; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons" 46508902 PA164746228 DAP001281 Interferon_alpha-n3 CHEMBL2109047 612937 DB00019 Pegfilgrastim BE0000793 CSF3R Q99062 CSF3R_HUMAN agonist 17001306; 12944913; 17127322; 16033816; 15949269; 15082029 "Erkeland SJ, Aarts LH, Irandoust M, Roovers O, Klomp A, Valkhof M, Gits J, Eyckerman S, Tavernier J, Touw IP: Novel role of WD40 and SOCS box protein-2 in steady-state distribution of granulocyte colony-stimulating factor receptor and G-CSF-controlled proliferation and differentiation signaling. Oncogene. 2007 Mar 29;26(14):1985-94. Epub 2006 Sep 25.@@Elsasser A, Franzen M, Kohlmann A, Weisser M, Schnittger S, Schoch C, Reddy VA, Burel S, Zhang DE, Ueffing M, Tenen DG, Hiddemann W, Behre G: The fusion protein AML1-ETO in acute myeloid leukemia with translocation t(8;21) induces c-jun protein expression via the proximal AP-1 site of the c-jun promoter in an indirect, JNK-dependent manner. Oncogene. 2003 Aug 28;22(36):5646-57.@@Ward AC: The role of the granulocyte colony-stimulating factor receptor (G-CSF-R) in disease. Front Biosci. 2007 Jan 1;12:608-18.@@Zhuang D, Qiu Y, Haque SJ, Dong F: Tyrosine 729 of the G-CSF receptor controls the duration of receptor signaling: involvement of SOCS3 and SOCS1. J Leukoc Biol. 2005 Oct;78(4):1008-15. Epub 2005 Jul 20.@@Cao YR, Shao ZH, Liu H, Shi J, Bai J, Tu MF, Wang HQ, Xing LM, Cui ZZ, Sun J, Jia HR, Yang TY: [The response of bone marrow hematopoietic cells to G-CSF in paroxysmal nocturnal hemoglobinuria patients]. Zhonghua Xue Ye Xue Za Zhi. 2005 Apr;26(4):235-8.@@Kotto-Kome AC, Fox SE, Lu W, Yang BB, Christensen RD, Calhoun DA: Evidence that the granulocyte colony-stimulating factor (G-CSF) receptor plays a role in the pharmacokinetics of G-CSF and PegG-CSF using a G-CSF-R KO model. Pharmacol Res. 2004 Jul;50(1):55-8." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Colony-Stimulating Factors; Intercellular Signaling Peptides and Proteins; Carbohydrates; Adjuvants, Immunologic; Hematopoietic Cell Growth Factors; Amino Acids, Peptides, and Proteins; Glycoproteins; Glycols; Alcohols; Proteins; Macromolecular Substances; Glycoconjugates; Biological Factors; Hematinics; Peptides; Cytokines; Leukocyte Growth Factor; Compounds used in a research, industrial, or household setting; Antineoplastic and Immunomodulating Agents; Polymers; Granulocyte Colony-Stimulating Factors; Increased Myeloid Cell Production; Ethylene Glycols; Pegylated agents" 12313 46505853 D06889 PA164781387 P09919 DAP000395 Pegfilgrastim CHEMBL1201568 338036 DB00020 Sargramostim BE0000628 CSF2RA P15509 CSF2R_HUMAN agonist 17090651; 16760463; 17522711; 16638185; 11752352 "Wang Y, Cai D, Brendel C, Barett C, Erben P, Manley PW, Hochhaus A, Neubauer A, Burchert A: Adaptive secretion of granulocyte-macrophage colony-stimulating factor (GM-CSF) mediates imatinib and nilotinib resistance in BCR/ABL+ progenitors via JAK-2/STAT-5 pathway activation. Blood. 2007 Mar 1;109(5):2147-55. Epub 2006 Nov 7.@@Chen J, Carcamo JM, Golde DW: The alpha subunit of the granulocyte-macrophage colony-stimulating factor receptor interacts with c-Kit and inhibits c-Kit signaling. J Biol Chem. 2006 Aug 4;281(31):22421-6. Epub 2006 Jun 7.@@Lencz T, Morgan TV, Athanasiou M, Dain B, Reed CR, Kane JM, Kucherlapati R, Malhotra AK: Converging evidence for a pseudoautosomal cytokine receptor gene locus in schizophrenia. Mol Psychiatry. 2007 Jun;12(6):572-80. Epub 2007 Mar 20.@@Xiao R, Zhang R, Wang YL, Zhu ZL, Chen T, Yang JH: [Expression of soluble GM-CSF-Ralpha in patients with acute myeloid leukemia]. Zhongguo Shi Yan Xue Ye Xue Za Zhi. 2006 Apr;14(2):225-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Granulocyte-Macrophage Colony-Stimulating Factor; Antineoplastic and Immunomodulating Agents; Biological Factors; Colony-Stimulating Factors; Intercellular Signaling Peptides and Proteins; Immunologic Factors; Carbohydrates; Peptides; Adjuvants, Immunologic; Increased Myeloid Cell Production; Cytokines; Leukocyte Growth Factor; Glycoconjugates; Proteins; Amino Acids, Peptides, and Proteins; Hematopoietic Cell Growth Factors; Glycoproteins" 46507000 PA164748631 P04141 DAP001053 Sargramostim CHEMBL1201670 69634 DB00020 Sargramostim BE0002115 CSF2RB P32927 IL3RB_HUMAN agonist 17139284; 17016423; 1424804 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Shen Y, Baker E, Callen DF, Sutherland GR, Willson TA, Rakar S, Gough NM: Localization of the human GM-CSF receptor beta chain gene (CSF2RB) to chromosome 22q12.2-->q13.1. Cytogenet Cell Genet. 1992;61(3):175-7." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Granulocyte-Macrophage Colony-Stimulating Factor; Antineoplastic and Immunomodulating Agents; Biological Factors; Colony-Stimulating Factors; Intercellular Signaling Peptides and Proteins; Immunologic Factors; Carbohydrates; Peptides; Adjuvants, Immunologic; Increased Myeloid Cell Production; Cytokines; Leukocyte Growth Factor; Glycoconjugates; Proteins; Amino Acids, Peptides, and Proteins; Hematopoietic Cell Growth Factors; Glycoproteins" 46507000 PA164748631 P04141 DAP001053 Sargramostim CHEMBL1201670 69634 DB00020 Sargramostim BE0002116 SDC2 P34741 SDC2_HUMAN agonist 17139284; 17016423; 10734053 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Modrowski D, Basle M, Lomri A, Marie PJ: Syndecan-2 is involved in the mitogenic activity and signaling of granulocyte-macrophage colony-stimulating factor in osteoblasts. J Biol Chem. 2000 Mar 31;275(13):9178-85." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Granulocyte-Macrophage Colony-Stimulating Factor; Antineoplastic and Immunomodulating Agents; Biological Factors; Colony-Stimulating Factors; Intercellular Signaling Peptides and Proteins; Immunologic Factors; Carbohydrates; Peptides; Adjuvants, Immunologic; Increased Myeloid Cell Production; Cytokines; Leukocyte Growth Factor; Glycoconjugates; Proteins; Amino Acids, Peptides, and Proteins; Hematopoietic Cell Growth Factors; Glycoproteins" 46507000 PA164748631 P04141 DAP001053 Sargramostim CHEMBL1201670 69634 DB00022 Peginterferon alfa-2b BE0000661 IFNAR1 P17181 INAR1_HUMAN agonist 17139284; 17016423; 15898717; 19955815; 16953837; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Dhalluin C, Ross A, Huber W, Gerber P, Brugger D, Gsell B, Senn H: Structural, kinetic, and thermodynamic analysis of the binding of the 40 kDa PEG-interferon-alpha2a and its individual positional isomers to the extracellular domain of the receptor IFNAR2. Bioconjug Chem. 2005 May-Jun;16(3):518-27.@@Ishii K, Shinohara M, Sawa M, Kogame M, Higami K, Sano M, Morita T, Sumino Y: Interferon alpha receptor 2 expression by peripheral blood monocytes in patients with a high viral load of hepatitis C virus genotype 1 showing substitution of amino Acid 70 in the core region. Intervirology. 2010;53(2):105-10. doi: 10.1159/000264200. Epub 2009 Dec 3.@@Yano H, Ogasawara S, Momosaki S, Akiba J, Kojiro S, Fukahori S, Ishizaki H, Kuratomi K, Basaki Y, Oie S, Kuwano M, Kojiro M: Growth inhibitory effects of pegylated IFN alpha-2b on human liver cancer cells in vitro and in vivo. Liver Int. 2006 Oct;26(8):964-75.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drug Carriers; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Antiviral Agents; Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Cytochrome P-450 CYP2D6 Inhibitors (weak); Adjuvants, Immunologic; Interferon Type I; Interferon-alpha; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Immunotherapy; Glycols; Cytochrome P-450 Enzyme Inhibitors; Alcohols; Cytochrome P-450 CYP1A2 Inhibitors; Macromolecular Substances; Proteins; Treatments for Hepatitis C; Interferons; Biological Factors; Hepatitis C; Peptides; Cytokines; Compounds used in a research, industrial, or household setting; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Interferon alpha; Cytochrome P-450 CYP2C9 Inducers (weak); Polymers; Cytochrome P-450 CYP2C9 Inducers; Ethylene Glycols; Pegylated agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons" 12036 46506669 PA164784024 P01563 DAP001279 Peginterferon_alfa-2b CHEMBL1201561 253453 DB00022 Peginterferon alfa-2b BE0000385 IFNAR2 P48551 INAR2_HUMAN agonist 17139284; 17016423; 15898717; 19955815; 16953837; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Dhalluin C, Ross A, Huber W, Gerber P, Brugger D, Gsell B, Senn H: Structural, kinetic, and thermodynamic analysis of the binding of the 40 kDa PEG-interferon-alpha2a and its individual positional isomers to the extracellular domain of the receptor IFNAR2. Bioconjug Chem. 2005 May-Jun;16(3):518-27.@@Ishii K, Shinohara M, Sawa M, Kogame M, Higami K, Sano M, Morita T, Sumino Y: Interferon alpha receptor 2 expression by peripheral blood monocytes in patients with a high viral load of hepatitis C virus genotype 1 showing substitution of amino Acid 70 in the core region. Intervirology. 2010;53(2):105-10. doi: 10.1159/000264200. Epub 2009 Dec 3.@@Yano H, Ogasawara S, Momosaki S, Akiba J, Kojiro S, Fukahori S, Ishizaki H, Kuratomi K, Basaki Y, Oie S, Kuwano M, Kojiro M: Growth inhibitory effects of pegylated IFN alpha-2b on human liver cancer cells in vitro and in vivo. Liver Int. 2006 Oct;26(8):964-75.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drug Carriers; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Antiviral Agents; Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Cytochrome P-450 CYP2D6 Inhibitors (weak); Adjuvants, Immunologic; Interferon Type I; Interferon-alpha; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Immunotherapy; Glycols; Cytochrome P-450 Enzyme Inhibitors; Alcohols; Cytochrome P-450 CYP1A2 Inhibitors; Macromolecular Substances; Proteins; Treatments for Hepatitis C; Interferons; Biological Factors; Hepatitis C; Peptides; Cytokines; Compounds used in a research, industrial, or household setting; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Interferon alpha; Cytochrome P-450 CYP2C9 Inducers (weak); Polymers; Cytochrome P-450 CYP2C9 Inducers; Ethylene Glycols; Pegylated agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons" 12036 46506669 PA164784024 P01563 DAP001279 Peginterferon_alfa-2b CHEMBL1201561 253453 DB00024 Thyrotropin alfa BE0000490 TSHR P16473 TSHR_HUMAN agonist 15571461; 9039330; 11752352 "Szkudlinski MW: Recombinant human thyrotropins of the twenty-first century. Expert Opin Pharmacother. 2004 Dec;5(12):2435-40.@@Conway GS: Clinical manifestations of genetic defects affecting gonadotrophins and their receptors. Clin Endocrinol (Oxf). 1996 Dec;45(6):657-63.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Vet_approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Peptide Hormones; Thyroid Products; Agents used to treat hypothyroidism; Anterior Pituitary Lobe Hormones and Analogues; Pituitary Hormones, Anterior; Pituitary Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 12790 46505696 PA164746560 P01225 DAP001248 Thyroid-stimulating_hormone CHEMBL1201533 4952 DB00025 "Antihemophilic factor, human recombinant" BE0000216 F10 P00742 FA10_HUMAN activator 13801371; 14285227; 236567; 6436416; 11891806 "BLATRIX C, SOULIER JP: [Preparation of a fraction rich in prothrombin, proconvertin, Stuart factor and antihemophilic factor B (P.P.B. fraction)]. Pathol Biol (Paris). 1959 Dec;7:2477-86.@@LUNDBLAD RL, DAVIE EW: THE ACTIVATION OF STUART FACTOR (FACTOR X) BY ACTIVATED ANTIHEMOPHILIC FACTOR (ACTIVATED FACTOR 8). Biochemistry. 1965 Jan;4:113-20.@@Radnoff OD, Saito H: Inhibition of Hageman factor, plasma thromboplastin antecedent, thrombin and other clotting factors by phenylglyoxal hydrate (38500). Proc Soc Exp Biol Med. 1975 Jan;148(1):177-82.@@Orthner CL: Characterization of proteases in AHF concentrates: effect on factor VIII:von Willebrand protein as assessed by high-pressure gel permeation chromatography. J Lab Clin Med. 1984 Nov;104(5):816-28.@@Freedman J, Mody M, Lazarus AH, Dewar L, Song S, Blanchette VS, Garvey MB, Ofosu FA: Platelet activation and hypercoagulability following treatment with porcine factor VIII (HYATE:C). Am J Hematol. 2002 Mar;69(3):192-9." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Hemophilia A; Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Carbohydrates; Hemostatics; Oligosaccharides; Polysaccharides; Disaccharides; Blood Coagulation Factors; Human Antihemophilic Factors; Protein Precursors; Blood Proteins; Proteins; Amino Acids, Peptides, and Proteins" 22826 46506209 PA164750168 P00451 Antihemophilic_Factor CHEMBL2108175 1300486 DB00025 "Antihemophilic factor, human recombinant" BE0001043 VWF P04275 VWF_HUMAN binder 10938981; 11858481; 14750934; 2128855; 2942172 "Shord SS, Lindley CM: Coagulation products and their uses. Am J Health Syst Pharm. 2000 Aug 1;57(15):1403-17; quiz 1418-20.@@Lillicrap D, Poon MC, Walker I, Xie F, Schwartz BA: Efficacy and safety of the factor VIII/von Willebrand factor concentrate, haemate-P/humate-P: ristocetin cofactor unit dosing in patients with von Willebrand disease. Thromb Haemost. 2002 Feb;87(2):224-30.@@Gill JC, Ewenstein BM, Thompson AR, Mueller-Velten G, Schwartz BA: Successful treatment of urgent bleeding in von Willebrand disease with factor VIII/VWF concentrate (Humate-P): use of the ristocetin cofactor assay (VWF:RCo) to measure potency and to guide therapy. Haemophilia. 2003 Nov;9(6):688-95.@@Smith KJ, Lusher JM, Cohen AR, Salzman P: Initial clinical experience with a new pasteurized monoclonal antibody purified factor VIIIC. Semin Hematol. 1990 Apr;27(2 Suppl 2):25-9.@@Altieri DC, Capitanio AM, Mannucci PM: von Willebrand factor contaminating porcine factor VIII concentrate (Hyate:C) causes platelet aggregation. Br J Haematol. 1986 Aug;63(4):703-11." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Hemophilia A; Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Carbohydrates; Hemostatics; Oligosaccharides; Polysaccharides; Disaccharides; Blood Coagulation Factors; Human Antihemophilic Factors; Protein Precursors; Blood Proteins; Proteins; Amino Acids, Peptides, and Proteins" 22826 46506209 PA164750168 P00451 Antihemophilic_Factor CHEMBL2108175 1300486 DB00025 "Antihemophilic factor, human recombinant" BE0002117 PHYH O14832 PAHX_HUMAN antagonist 11574539 "Chen C, Wang Q, Fang X, Xu Q, Chi C, Gu J: Roles of phytanoyl-CoA alpha-hydroxylase in mediating the expression of human coagulation factor VIII. J Biol Chem. 2001 Dec 7;276(49):46340-6." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Hemophilia A; Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Carbohydrates; Hemostatics; Oligosaccharides; Polysaccharides; Disaccharides; Blood Coagulation Factors; Human Antihemophilic Factors; Protein Precursors; Blood Proteins; Proteins; Amino Acids, Peptides, and Proteins" 22826 46506209 PA164750168 P00451 Antihemophilic_Factor CHEMBL2108175 1300486 DB00025 "Antihemophilic factor, human recombinant" BE0002118 ASGR2 P07307 ASGR2_HUMAN binder 15946216 "Bovenschen N, Rijken DC, Havekes LM, van Vlijmen BJ, Mertens K: The B domain of coagulation factor VIII interacts with the asialoglycoprotein receptor. J Thromb Haemost. 2005 Jun;3(6):1257-65." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Hemophilia A; Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Carbohydrates; Hemostatics; Oligosaccharides; Polysaccharides; Disaccharides; Blood Coagulation Factors; Human Antihemophilic Factors; Protein Precursors; Blood Proteins; Proteins; Amino Acids, Peptides, and Proteins" 22826 46506209 PA164750168 P00451 Antihemophilic_Factor CHEMBL2108175 1300486 DB00025 "Antihemophilic factor, human recombinant" BE0002109 CALR P27797 CALR_HUMAN chaperone 9525969; 17899080; 9607108 "Pipe SW, Morris JA, Shah J, Kaufman RJ: Differential interaction of coagulation factor VIII and factor V with protein chaperones calnexin and calreticulin. J Biol Chem. 1998 Apr 3;273(14):8537-44.@@Srour MA, Grupp J, Aburubaiha Z, Albert T, Brondke H, Oldenburg J, Schwaab R: Modified expression of coagulation factor VIII by addition of a glycosylation site at the N terminus of the protein. Ann Hematol. 2008 Feb;87(2):107-12. Epub 2007 Sep 26.@@Kaufman RJ, Pipe SW, Tagliavacca L, Swaroop M, Moussalli M: Biosynthesis, assembly and secretion of coagulation factor VIII. Blood Coagul Fibrinolysis. 1997 Dec;8 Suppl 2:S3-14." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Hemophilia A; Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Carbohydrates; Hemostatics; Oligosaccharides; Polysaccharides; Disaccharides; Blood Coagulation Factors; Human Antihemophilic Factors; Protein Precursors; Blood Proteins; Proteins; Amino Acids, Peptides, and Proteins" 22826 46506209 PA164750168 P00451 Antihemophilic_Factor CHEMBL2108175 1300486 DB00025 "Antihemophilic factor, human recombinant" BE0001011 CANX P27824 CALX_HUMAN chaperone 9525969; 15213841; 17899080; 9607108 "Pipe SW, Morris JA, Shah J, Kaufman RJ: Differential interaction of coagulation factor VIII and factor V with protein chaperones calnexin and calreticulin. J Biol Chem. 1998 Apr 3;273(14):8537-44.@@Becker S, Simpson JC, Pepperkok R, Heinz S, Herder C, Grez M, Seifried E, Tonn T: Confocal microscopy analysis of native, full length and B-domain deleted coagulation factor VIII trafficking in mammalian cells. Thromb Haemost. 2004 Jul;92(1):23-35.@@Srour MA, Grupp J, Aburubaiha Z, Albert T, Brondke H, Oldenburg J, Schwaab R: Modified expression of coagulation factor VIII by addition of a glycosylation site at the N terminus of the protein. Ann Hematol. 2008 Feb;87(2):107-12. Epub 2007 Sep 26.@@Kaufman RJ, Pipe SW, Tagliavacca L, Swaroop M, Moussalli M: Biosynthesis, assembly and secretion of coagulation factor VIII. Blood Coagul Fibrinolysis. 1997 Dec;8 Suppl 2:S3-14." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Hemophilia A; Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Carbohydrates; Hemostatics; Oligosaccharides; Polysaccharides; Disaccharides; Blood Coagulation Factors; Human Antihemophilic Factors; Protein Precursors; Blood Proteins; Proteins; Amino Acids, Peptides, and Proteins" 22826 46506209 PA164750168 P00451 Antihemophilic_Factor CHEMBL2108175 1300486 DB00025 "Antihemophilic factor, human recombinant" BE0002119 LMAN1 P49257 LMAN1_HUMAN chaperone 14629470; 14726380 "Cunningham MA, Pipe SW, Zhang B, Hauri HP, Ginsburg D, Kaufman RJ: LMAN1 is a molecular chaperone for the secretion of coagulation factor VIII. J Thromb Haemost. 2003 Nov;1(11):2360-7.@@Miao HZ, Sirachainan N, Palmer L, Kucab P, Cunningham MA, Kaufman RJ, Pipe SW: Bioengineering of coagulation factor VIII for improved secretion. Blood. 2004 May 1;103(9):3412-9. Epub 2004 Jan 15." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Hemophilia A; Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Carbohydrates; Hemostatics; Oligosaccharides; Polysaccharides; Disaccharides; Blood Coagulation Factors; Human Antihemophilic Factors; Protein Precursors; Blood Proteins; Proteins; Amino Acids, Peptides, and Proteins" 22826 46506209 PA164750168 P00451 Antihemophilic_Factor CHEMBL2108175 1300486 DB00025 "Antihemophilic factor, human recombinant" BE0002110 LRP1 Q07954 LRP1_HUMAN modulator 21391865 "Franchini M, Montagnana M: Low-density lipoprotein receptor-related protein 1: new functions for an old molecule. Clin Chem Lab Med. 2011 Jun;49(6):967-70. doi: 10.1515/CCLM.2011.154. Epub 2011 Mar 11." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Hemophilia A; Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Carbohydrates; Hemostatics; Oligosaccharides; Polysaccharides; Disaccharides; Blood Coagulation Factors; Human Antihemophilic Factors; Protein Precursors; Blood Proteins; Proteins; Amino Acids, Peptides, and Proteins" 22826 46506209 PA164750168 P00451 Antihemophilic_Factor CHEMBL2108175 1300486 DB00025 "Antihemophilic factor, human recombinant" BE0002120 MCFD2 Q8NI22 MCFD2_HUMAN modulator 15886209 "Zhang B, Kaufman RJ, Ginsburg D: LMAN1 and MCFD2 form a cargo receptor complex and interact with coagulation factor VIII in the early secretory pathway. J Biol Chem. 2005 Jul 8;280(27):25881-6. Epub 2005 May 10." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Hemophilia A; Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Carbohydrates; Hemostatics; Oligosaccharides; Polysaccharides; Disaccharides; Blood Coagulation Factors; Human Antihemophilic Factors; Protein Precursors; Blood Proteins; Proteins; Amino Acids, Peptides, and Proteins" 22826 46506209 PA164750168 P00451 Antihemophilic_Factor CHEMBL2108175 1300486 DB00028 Human immunoglobulin G BE0000710 FCGR1A P12314 FCGR1_HUMAN antagonist 17911465; 20441428; 17351760 "Siberil S, Elluru S, Graff-Dubois S, Negi VS, Delignat S, Mouthon L, Lacroix-Desmazes S, Kazatchkine MD, Bayry J, Kaveri SV: Intravenous immunoglobulins in autoimmune and inflammatory diseases: a mechanistic perspective. Ann N Y Acad Sci. 2007 Sep;1110:497-506.@@Baerenwaldt A, Biburger M, Nimmerjahn F: Mechanisms of action of intravenous immunoglobulins. Expert Rev Clin Immunol. 2010 May;6(3):425-34. doi: 10.1586/eci.10.9.@@Negi VS, Elluru S, Siberil S, Graff-Dubois S, Mouthon L, Kazatchkine MD, Lacroix-Desmazes S, Bayry J, Kaveri SV: Intravenous immunoglobulin: an update on the clinical use and mechanisms of action. J Clin Immunol. 2007 May;27(3):233-45. Epub 2007 Mar 11." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Immunoglobulin Isotypes; Immunoglobulins; Serum; Passively Acquired Immunity; Serum Globulins; Immunologic Factors; Immunoproteins; Antigen Neutralization; Immunoglobulin G; Human Immunoglobulin G; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 22953 46508774 PA164754884 P01877 1426680 DB00028 Human immunoglobulin G BE0003455 C3 P01024 CO3_HUMAN binder 20441428; 17351760; 17911465 "Baerenwaldt A, Biburger M, Nimmerjahn F: Mechanisms of action of intravenous immunoglobulins. Expert Rev Clin Immunol. 2010 May;6(3):425-34. doi: 10.1586/eci.10.9.@@Negi VS, Elluru S, Siberil S, Graff-Dubois S, Mouthon L, Kazatchkine MD, Lacroix-Desmazes S, Bayry J, Kaveri SV: Intravenous immunoglobulin: an update on the clinical use and mechanisms of action. J Clin Immunol. 2007 May;27(3):233-45. Epub 2007 Mar 11.@@Siberil S, Elluru S, Graff-Dubois S, Negi VS, Delignat S, Mouthon L, Lacroix-Desmazes S, Kazatchkine MD, Bayry J, Kaveri SV: Intravenous immunoglobulins in autoimmune and inflammatory diseases: a mechanistic perspective. Ann N Y Acad Sci. 2007 Sep;1110:497-506." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Immunoglobulin Isotypes; Immunoglobulins; Serum; Passively Acquired Immunity; Serum Globulins; Immunologic Factors; Immunoproteins; Antigen Neutralization; Immunoglobulin G; Human Immunoglobulin G; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 22953 46508774 PA164754884 P01877 1426680 DB00028 Human immunoglobulin G BE0004686 C4B P0C0L5 CO4B_HUMAN binder 20441428; 17351760; 17911465 "Baerenwaldt A, Biburger M, Nimmerjahn F: Mechanisms of action of intravenous immunoglobulins. Expert Rev Clin Immunol. 2010 May;6(3):425-34. doi: 10.1586/eci.10.9.@@Negi VS, Elluru S, Siberil S, Graff-Dubois S, Mouthon L, Kazatchkine MD, Lacroix-Desmazes S, Bayry J, Kaveri SV: Intravenous immunoglobulin: an update on the clinical use and mechanisms of action. J Clin Immunol. 2007 May;27(3):233-45. Epub 2007 Mar 11.@@Siberil S, Elluru S, Graff-Dubois S, Negi VS, Delignat S, Mouthon L, Lacroix-Desmazes S, Kazatchkine MD, Bayry J, Kaveri SV: Intravenous immunoglobulins in autoimmune and inflammatory diseases: a mechanistic perspective. Ann N Y Acad Sci. 2007 Sep;1110:497-506." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Immunoglobulin Isotypes; Immunoglobulins; Serum; Passively Acquired Immunity; Serum Globulins; Immunologic Factors; Immunoproteins; Antigen Neutralization; Immunoglobulin G; Human Immunoglobulin G; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 22953 46508774 PA164754884 P01877 1426680 DB00028 Human immunoglobulin G BE0000855 C5 P01031 CO5_HUMAN binder 20441428; 17351760; 17911465 "Baerenwaldt A, Biburger M, Nimmerjahn F: Mechanisms of action of intravenous immunoglobulins. Expert Rev Clin Immunol. 2010 May;6(3):425-34. doi: 10.1586/eci.10.9.@@Negi VS, Elluru S, Siberil S, Graff-Dubois S, Mouthon L, Kazatchkine MD, Lacroix-Desmazes S, Bayry J, Kaveri SV: Intravenous immunoglobulin: an update on the clinical use and mechanisms of action. J Clin Immunol. 2007 May;27(3):233-45. Epub 2007 Mar 11.@@Siberil S, Elluru S, Graff-Dubois S, Negi VS, Delignat S, Mouthon L, Lacroix-Desmazes S, Kazatchkine MD, Bayry J, Kaveri SV: Intravenous immunoglobulins in autoimmune and inflammatory diseases: a mechanistic perspective. Ann N Y Acad Sci. 2007 Sep;1110:497-506." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Immunoglobulin Isotypes; Immunoglobulins; Serum; Passively Acquired Immunity; Serum Globulins; Immunologic Factors; Immunoproteins; Antigen Neutralization; Immunoglobulin G; Human Immunoglobulin G; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 22953 46508774 PA164754884 P01877 1426680 DB00030 Insulin human BE0000033 INSR P06213 INSR_HUMAN agonist 12970169; 12038982; 17722952; 19683471; 20230616; 11752352; 27512793 "Desbuquois B, Chauvet G, Kouach M, Authier F: Cell itinerary and metabolic fate of proinsulin in rat liver: in vivo and in vitro studies. Endocrinology. 2003 Dec;144(12):5308-21. Epub 2003 Sep 11.@@Chen LM, Yang XW, Tang JG: Acidic residues on the N-terminus of proinsulin C-Peptide are important for the folding of insulin precursor. J Biochem. 2002 Jun;131(6):855-9.@@Bell DS: Insulin therapy in diabetes mellitus: how can the currently available injectable insulins be most prudently and efficaciously utilised? Drugs. 2007;67(13):1813-27.@@Tanti JF, Jager J: Cellular mechanisms of insulin resistance: role of stress-regulated serine kinases and insulin receptor substrates (IRS) serine phosphorylation. Curr Opin Pharmacol. 2009 Dec;9(6):753-62. doi: 10.1016/j.coph.2009.07.004. Epub 2009 Aug 13.@@Chiu SL, Cline HT: Insulin receptor signaling in the development of neuronal structure and function. Neural Dev. 2010 Mar 15;5:7. doi: 10.1186/1749-8104-5-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@De Meyts P: The Insulin Receptor and Its Signal Transduction Network ." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Insulins and Analogues for Injection, Fast-Acting; Insulin, metabolism; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 7326 46506231 D03230 PA164744571 Q8HXV2 DAP000802 Insulin 253182 DB00030 Insulin human BE0000858 IGF1R P08069 IGF1R_HUMAN activator 19145584; 21219237; 22420005; 31771180; 25905175 "Weinstein D, Simon M, Yehezkel E, Laron Z, Werner H: Insulin analogues display IGF-I-like mitogenic and anti-apoptotic activities in cultured cancer cells. Diabetes Metab Res Rev. 2009 Jan;25(1):41-9. doi: 10.1002/dmrr.912.@@Werner H, Weinstein D, Yehezkel E, Laron Z: Controversies in the use of insulin analogues. Expert Opin Biol Ther. 2011 Feb;11(2):199-209. doi: 10.1517/14712598.2011.540233.@@Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct.@@Sarfstein R, Nagaraj K, LeRoith D, Werner H: Differential Effects of Insulin and IGF1 Receptors on ERK and AKT Subcellular Distribution in Breast Cancer Cells. Cells. 2019 Nov 23;8(12). pii: cells8121499. doi: 10.3390/cells8121499.@@Donner T, Sarkar S: Insulin - Pharmacology, Therapeutic Regimens, and Principles of Intensive Insulin Therapy ." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Insulins and Analogues for Injection, Fast-Acting; Insulin, metabolism; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 7326 46506231 D03230 PA164744571 Q8HXV2 DAP000802 Insulin 253182 DB00030 Insulin human BE0001123 CPE P16870 CBPE_HUMAN modulator 24843127 "Liew CW, Assmann A, Templin AT, Raum JC, Lipson KL, Rajan S, Qiang G, Hu J, Kawamori D, Lindberg I, Philipson LH, Sonenberg N, Goldfine AB, Stoffers DA, Mirmira RG, Urano F, Kulkarni RN: Insulin regulates carboxypeptidase E by modulating translation initiation scaffolding protein eIF4G1 in pancreatic beta cells. Proc Natl Acad Sci U S A. 2014 Jun 3;111(22):E2319-28. doi: 10.1073/pnas.1323066111. Epub 2014 May 19." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Insulins and Analogues for Injection, Fast-Acting; Insulin, metabolism; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 7326 46506231 D03230 PA164744571 Q8HXV2 DAP000802 Insulin 253182 DB00030 Insulin human BE0000942 LRP2 P98164 LRP2_HUMAN substrate 9773776 "Orlando RA, Rader K, Authier F, Yamazaki H, Posner BI, Bergeron JJ, Farquhar MG: Megalin is an endocytic receptor for insulin. J Am Soc Nephrol. 1998 Oct;9(10):1759-66." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Insulins and Analogues for Injection, Fast-Acting; Insulin, metabolism; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 7326 46506231 D03230 PA164744571 Q8HXV2 DAP000802 Insulin 253182 DB00031 Tenecteplase BE0000717 PLAUR Q03405 UPAR_HUMAN 15231724; 11447759; 12210068 "Maupas-Schwalm F, Auge N, Robinet C, Cambus JP, Parsons SJ, Salvayre R, Negre-Salvayre A: The sphingomyelin/ceramide pathway is involved in ERK1/2 phosphorylation, cell proliferation, and uPAR overexpression induced by tissue-type plasminogen activator. FASEB J. 2004 Sep;18(12):1398-400. Epub 2004 Jul 1.@@Bankl HC, Samorapoompichit P, Pikula B, Latinovic L, Bankl H, Lechner K, Valent P: Characterization of human prostate mast cells and their increase in periprostatic vein thrombosis. Am J Clin Pathol. 2001 Jul;116(1):97-106.@@Ferrier CM, Van Geloof WL, Straatman H, Van De Molengraft FJ, Van Muijen GN, Ruiter DJ: Spitz naevi may express components of the plasminogen activation system. J Pathol. 2002 Sep;198(1):92-9." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Cardiovascular Agents; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Tissue Plasminogen Activator; Peptide Hydrolases; Hematologic Agents; Blood Proteins; Endopeptidases; Fibrin Modulating Agents" Tenecteplase Action Pathway drug_action 12468 46508657 D06070 PA164776757 P00750 DAP000204 Tenecteplase CHEMBL2108791 259280 DB00031 Tenecteplase BE0002104 CLEC3B P05452 TETN_HUMAN 12694198; 9034981; 17853709 "Westergaard UB, Andersen MH, Heegaard CW, Fedosov SN, Petersen TE: Tetranectin binds hepatocyte growth factor and tissue-type plasminogen activator. Eur J Biochem. 2003 Apr;270(8):1850-4.@@Kamper EF, Kopeikina LT, Koutsoukos V, Stavridis J: Plasma tetranectin levels and disease activity in patients with rheumatoid arthritis. J Rheumatol. 1997 Feb;24(2):262-8.@@Vuckovic B, Deric M: [Lipoprotein(a): a link between thrombogenesis and atherogenesis]. Med Pregl. 2007 Jan-Feb;60(1-2):37-41." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Cardiovascular Agents; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Tissue Plasminogen Activator; Peptide Hydrolases; Hematologic Agents; Blood Proteins; Endopeptidases; Fibrin Modulating Agents" Tenecteplase Action Pathway drug_action 12468 46508657 D06070 PA164776757 P00750 DAP000204 Tenecteplase CHEMBL2108791 259280 DB00031 Tenecteplase BE0001170 ANXA2 P07355 ANXA2_HUMAN 15194650; 10578524; 12730231 "Diaz VM, Hurtado M, Thomson TM, Reventos J, Paciucci R: Specific interaction of tissue-type plasminogen activator (t-PA) with annexin II on the membrane of pancreatic cancer cells activates plasminogen and promotes invasion in vitro. Gut. 2004 Jul;53(7):993-1000.@@Kang HM, Choi KS, Kassam G, Fitzpatrick SL, Kwon M, Waisman DM: Role of annexin II tetramer in plasminogen activation. Trends Cardiovasc Med. 1999 Apr-May;9(3-4):92-102.@@MacLeod TJ, Kwon M, Filipenko NR, Waisman DM: Phospholipid-associated annexin A2-S100A10 heterotetramer and its subunits: characterization of the interaction with tissue plasminogen activator, plasminogen, and plasmin. J Biol Chem. 2003 Jul 11;278(28):25577-84. Epub 2003 Apr 30." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Cardiovascular Agents; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Tissue Plasminogen Activator; Peptide Hydrolases; Hematologic Agents; Blood Proteins; Endopeptidases; Fibrin Modulating Agents" Tenecteplase Action Pathway drug_action 12468 46508657 D06070 PA164776757 P00750 DAP000204 Tenecteplase CHEMBL2108791 259280 DB00031 Tenecteplase BE0002109 CALR P27797 CALR_HUMAN 9359841 "Allen S, Bulleid NJ: Calnexin and calreticulin bind to enzymically active tissue-type plasminogen activator during biosynthesis and are not required for folding to the native conformation. Biochem J. 1997 Nov 15;328 ( Pt 1):113-9." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Cardiovascular Agents; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Tissue Plasminogen Activator; Peptide Hydrolases; Hematologic Agents; Blood Proteins; Endopeptidases; Fibrin Modulating Agents" Tenecteplase Action Pathway drug_action 12468 46508657 D06070 PA164776757 P00750 DAP000204 Tenecteplase CHEMBL2108791 259280 DB00031 Tenecteplase BE0001011 CANX P27824 CALX_HUMAN 9359841 "Allen S, Bulleid NJ: Calnexin and calreticulin bind to enzymically active tissue-type plasminogen activator during biosynthesis and are not required for folding to the native conformation. Biochem J. 1997 Nov 15;328 ( Pt 1):113-9." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Cardiovascular Agents; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Tissue Plasminogen Activator; Peptide Hydrolases; Hematologic Agents; Blood Proteins; Endopeptidases; Fibrin Modulating Agents" Tenecteplase Action Pathway drug_action 12468 46508657 D06070 PA164776757 P00750 DAP000204 Tenecteplase CHEMBL2108791 259280 DB00031 Tenecteplase BE0002110 LRP1 Q07954 LRP1_HUMAN 8344937; 1378833; 16303771 "Moestrup SK, Nielsen S, Andreasen P, Jorgensen KE, Nykjaer A, Roigaard H, Gliemann J, Christensen EI: Epithelial glycoprotein-330 mediates endocytosis of plasminogen activator-plasminogen activator inhibitor type-1 complexes. J Biol Chem. 1993 Aug 5;268(22):16564-70.@@Nykjaer A, Petersen CM, Moller B, Jensen PH, Moestrup SK, Holtet TL, Etzerodt M, Thogersen HC, Munch M, Andreasen PA, et al.: Purified alpha 2-macroglobulin receptor/LDL receptor-related protein binds urokinase.plasminogen activator inhibitor type-1 complex. Evidence that the alpha 2-macroglobulin receptor mediates cellular degradation of urokinase receptor-bound complexes. J Biol Chem. 1992 Jul 25;267(21):14543-6.@@Hu K, Yang J, Tanaka S, Gonias SL, Mars WM, Liu Y: Tissue-type plasminogen activator acts as a cytokine that triggers intracellular signal transduction and induces matrix metalloproteinase-9 gene expression. J Biol Chem. 2006 Jan 27;281(4):2120-7. Epub 2005 Nov 22." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Cardiovascular Agents; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Tissue Plasminogen Activator; Peptide Hydrolases; Hematologic Agents; Blood Proteins; Endopeptidases; Fibrin Modulating Agents" Tenecteplase Action Pathway drug_action 12468 46508657 D06070 PA164776757 P00750 DAP000204 Tenecteplase CHEMBL2108791 259280 DB00032 Menotropins BE0000134 LHCGR P22888 LSHR_HUMAN 17139284; 17016423; 14680547; 7872378 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@van de Weijer BH, Mulders JW, Bos ES, Verhaert PD, van den Hooven HW: Compositional analyses of a human menopausal gonadotrophin preparation extracted from urine (menotropin). Identification of some of its major impurities. Reprod Biomed Online. 2003 Nov;7(5):547-57.@@Olive DL: The role of gonadotropins in ovulation induction. Am J Obstet Gynecol. 1995 Feb;172(2 Pt 2):759-65." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Reproductive Control Agents; Biological Products; Fertility Agents, Female; Peptide Hormones; Complex Mixtures; Gonadotropins; Peptides; Gonadotropins and Antigonadotropins; Hormones; Genito Urinary System and Sex Hormones; Pituitary Hormones, Anterior; Pituitary Hormones; Sex Hormones and Modulators of the Genital System; Amino Acids, Peptides, and Proteins; Fertility Agents; Gonadotropins, Pituitary; Hormones, Hormone Substitutes, and Hormone Antagonists" 7369 46504503 PA164749406 P01229 DAP001027 Menotropin CHEMBL2108427 DB00033 Interferon gamma-1b BE0000711 IFNGR1 P15260 INGR1_HUMAN binder 17251453; 17618444; 11752352 "Matsuda A, Ebihara N, Kumagai N, Fukuda K, Ebe K, Hirano K, Sotozono C, Tei M, Hasegawa K, Shimizu M, Tamari M, Namba K, Ohno S, Mizuki N, Ikezawa Z, Shirakawa T, Hamuro J, Kinoshita S: Genetic polymorphisms in the promoter of the interferon gamma receptor 1 gene are associated with atopic cataracts. Invest Ophthalmol Vis Sci. 2007 Feb;48(2):583-9.@@Yao X, Chen ZQ, Gong JQ, Chen M, Li AS, Liu J: The interferon-gamma receptor gene polymorphisms (Val14Met and Gln64Arg) are not associated with systemic lupus erythematosus in Chinese patients. Arch Dermatol Res. 2007 Oct;299(8):367-71. Epub 2007 Jul 6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Macrophage-Activating Factors; Immunosuppressive Agents; Lymphokines; Myelosuppressive Agents; Interferon gamma; Biological Factors; Intercellular Signaling Peptides and Proteins; Cytochrome P-450 Enzyme Inhibitors; Peptides; Cytochrome P-450 CYP1A2 Inhibitors; Cytokines; Proteins; Interferons; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" 46507194 PA164746386 P01579 DAP001286 Interferon_gamma CHEMBL1201564 5882 DB00034 Interferon alfa-2a BE0000661 IFNAR1 P17181 INAR1_HUMAN 15898717; 18230610 "Dhalluin C, Ross A, Huber W, Gerber P, Brugger D, Gsell B, Senn H: Structural, kinetic, and thermodynamic analysis of the binding of the 40 kDa PEG-interferon-alpha2a and its individual positional isomers to the extracellular domain of the receptor IFNAR2. Bioconjug Chem. 2005 May-Jun;16(3):518-27.@@Cironi P, Swinburne IA, Silver PA: Enhancement of cell type specificity by quantitative modulation of a chimeric ligand. J Biol Chem. 2008 Mar 28;283(13):8469-76. doi: 10.1074/jbc.M708502200. Epub 2008 Jan 29." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Myelosuppressive Agents; Antiviral Agents; Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Interferon-alpha; Amino Acids, Peptides, and Proteins; Immunotherapy; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Proteins; Interferons; Antineoplastic Agents; Biological Factors; Peptides; Cytokines; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Interferon alpha; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons" 1746 46506712 PA164779048 P01563 DAP000801 Peginterferon_alfa-2a 5879 DB00034 Interferon alfa-2a BE0000385 IFNAR2 P48551 INAR2_HUMAN 15898717; 18230610 "Dhalluin C, Ross A, Huber W, Gerber P, Brugger D, Gsell B, Senn H: Structural, kinetic, and thermodynamic analysis of the binding of the 40 kDa PEG-interferon-alpha2a and its individual positional isomers to the extracellular domain of the receptor IFNAR2. Bioconjug Chem. 2005 May-Jun;16(3):518-27.@@Cironi P, Swinburne IA, Silver PA: Enhancement of cell type specificity by quantitative modulation of a chimeric ligand. J Biol Chem. 2008 Mar 28;283(13):8469-76. doi: 10.1074/jbc.M708502200. Epub 2008 Jan 29." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Myelosuppressive Agents; Antiviral Agents; Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Interferon-alpha; Amino Acids, Peptides, and Proteins; Immunotherapy; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Proteins; Interferons; Antineoplastic Agents; Biological Factors; Peptides; Cytokines; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Interferon alpha; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons" 1746 46506712 PA164779048 P01563 DAP000801 Peginterferon_alfa-2a 5879 DB00035 Desmopressin BE0000165 AVPR1A P37288 V1AR_HUMAN 10731046; 10594321; 8957254; 15613460 "Loichot C, Cazaubon C, De Jong W, Helwig JJ, Nisato D, Imbs JL, Barthelmebs M: Nitric oxide, but not vasopressin V2 receptor-mediated vasodilation, modulates vasopressin-induced renal vasoconstriction in rats. Naunyn Schmiedebergs Arch Pharmacol. 2000 Mar;361(3):319-26.@@Mechaly I, Laurent F, Portet K, Serrano J, Cros G: Vasopressin V2 (SR121463A) and V1a (SR49059) receptor antagonists both inhibit desmopressin vasorelaxing activity. Eur J Pharmacol. 1999 Nov 3;383(3):287-90.@@Barthelmebs M, Krieger JP, Grima M, Nisato D, Imbs JL: Vascular effects of [Arg8]vasopressin in the isolated perfused rat kidney. Eur J Pharmacol. 1996 Oct 31;314(3):325-32.@@Pequeux C, Keegan BP, Hagelstein MT, Geenen V, Legros JJ, North WG: Oxytocin- and vasopressin-induced growth of human small-cell lung cancer is mediated by the mitogen-activated protein kinase pathway. Endocr Relat Cancer. 2004 Dec;11(4):871-85." Approved "Vasopressin and Analogues; Arginine Vasopressin; Pituitary Hormones, Posterior; Pituitary; Increased Coagulation Factor VIII Activity; Amino Acids, Peptides, and Proteins; Cardiovascular Agents; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Nerve Tissue Proteins; Coagulants; Factor VIII Activator; Proteins; Drugs that are Mainly Renally Excreted; Hormones; Antidiuretic Agents; Vasopressin Analog; Oligopeptides; Posterior Pituitary Lobe Hormones; Hemostatics; Increased Coagulation Factor VIII Concentration; Neuropeptides; Peptides; Agents that produce hypertension; Natriuretic Agents; Vasopressins; Peptide Hormones; Hematologic Agents; Pituitary Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O 20181 D00291 PA449237 DNC000526 Desmopressin CHEMBL1429 3251 DB00036 Coagulation factor VIIa Recombinant Human BE0000216 F10 P00742 FA10_HUMAN 5969560; 13801371; 13713641; 14227143; 13621053 "Malinvaud G: [Reflections on the use of PPSB fraction (Prothrombin-proconvertin-Stuart factor-antihemophilic factor B)]. Transfusion (Paris). 1966;9(3):245-54.@@BLATRIX C, SOULIER JP: [Preparation of a fraction rich in prothrombin, proconvertin, Stuart factor and antihemophilic factor B (P.P.B. fraction)]. Pathol Biol (Paris). 1959 Dec;7:2477-86.@@HERMANSKY F, VITEK J: The role of proconvertin and Stuart factor in the inactivation of tissue thromboplastin by serum. Experientia. 1960 Oct 15;16:455-6.@@GAERTNER H, CAEN J: [FUNCTIONAL RELATION BETWEEN ERYTHROPLASTIN (ERYTHROCYTE COAGULANT FACTOR) AND PLASMA FACTORS: PROACCELERIN (V), PROCONVERTIN (VII) AND STUART FACTOR(X)]. Acta Physiol Pol. 1964 Mar-Apr;15:237-43.@@DIDISHEIM P, LOEB J, BLATRIX C, SOULIER JP: Preparation of a human plasma fraction rich in prothrombin, proconvertin, Stuart factor, and PTC and a study of its activity and toxicity in rabbits and man. J Lab Clin Med. 1959 Feb;53(2):322-30." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Enzymes and Coenzymes; Factor VII; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Increased Coagulation Factor X Activity; Hydrolases; Proteins; Enzymes; Factor VIIa, antagonists & inhibitors; Biological Factors; Blood and Blood Forming Organs; Hemostatics; Increased Coagulation Factor IX Activity; Serine Proteases; Peptide Hydrolases; Blood Proteins; Blood Coagulation Factors; Endopeptidases" 13301 46507544 D00172 PA164748389 P08709 Factor_VII 253149 DB00036 Coagulation factor VIIa Recombinant Human BE0000967 TFPI P10646 TFPI1_HUMAN 11772005; 7559599; 8700900; 12974870; 11238112 "Mine S, Yamazaki T, Miyata T, Hara S, Kato H: Structural mechanism for heparin-binding of the third Kunitz domain of human tissue factor pathway inhibitor. Biochemistry. 2002 Jan 8;41(1):78-85.@@Narita M, Bu G, Olins GM, Higuchi DA, Herz J, Broze GJ Jr, Schwartz AL: Two receptor systems are involved in the plasma clearance of tissue factor pathway inhibitor in vivo. J Biol Chem. 1995 Oct 20;270(42):24800-4.@@Stassens P, Bergum PW, Gansemans Y, Jespers L, Laroche Y, Huang S, Maki S, Messens J, Lauwereys M, Cappello M, Hotez PJ, Lasters I, Vlasuk GP: Anticoagulant repertoire of the hookworm Ancylostoma caninum. Proc Natl Acad Sci U S A. 1996 Mar 5;93(5):2149-54.@@Lee AY, Vlasuk GP: Recombinant nematode anticoagulant protein c2 and other inhibitors targeting blood coagulation factor VIIa/tissue factor. J Intern Med. 2003 Oct;254(4):313-21.@@Hansen CB, Pyke C, Petersen LC, Rao LV: Tissue factor-mediated endocytosis, recycling, and degradation of factor VIIa by a clathrin-independent mechanism not requiring the cytoplasmic domain of tissue factor. Blood. 2001 Mar 15;97(6):1712-20." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Enzymes and Coenzymes; Factor VII; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Increased Coagulation Factor X Activity; Hydrolases; Proteins; Enzymes; Factor VIIa, antagonists & inhibitors; Biological Factors; Blood and Blood Forming Organs; Hemostatics; Increased Coagulation Factor IX Activity; Serine Proteases; Peptide Hydrolases; Blood Proteins; Blood Coagulation Factors; Endopeptidases" 13301 46507544 D00172 PA164748389 P08709 Factor_VII 253149 DB00036 Coagulation factor VIIa Recombinant Human BE0000333 F7 P08709 FA7_HUMAN 10388743; 11735107; 12525826; 15907148; 16370916 "Perera L, Darden TA, Pedersen LG: Probing the structural changes in the light chain of human coagulation factor VIIa due to tissue factor association. Biophys J. 1999 Jul;77(1):99-113.@@Shapiro A: Inhibitor treatment: state of the art. Semin Hematol. 2001 Oct;38(4 Suppl 12):26-34.@@Shapiro A: Inhibitor treatment: state of the art. Dis Mon. 2003 Jan;49(1):22-38.@@Siddiqui MA, Scott LJ: Recombinant factor VIIa (Eptacog Alfa): a review of its use in congenital or acquired haemophilia and other congenital bleeding disorders. Drugs. 2005;65(8):1161-77.@@Rizoli SB, Chughtai T: The emerging role of recombinant activated Factor VII (rFVIIa) in the treatment of blunt traumatic haemorrhage. Expert Opin Biol Ther. 2006 Jan;6(1):73-81." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Enzymes and Coenzymes; Factor VII; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Increased Coagulation Factor X Activity; Hydrolases; Proteins; Enzymes; Factor VIIa, antagonists & inhibitors; Biological Factors; Blood and Blood Forming Organs; Hemostatics; Increased Coagulation Factor IX Activity; Serine Proteases; Peptide Hydrolases; Blood Proteins; Blood Coagulation Factors; Endopeptidases" 13301 46507544 D00172 PA164748389 P08709 Factor_VII 253149 DB00039 Palifermin BE0000748 FGFR2 P21802 FGFR2_HUMAN agonist 17728847; 16390600; 16854582; 7499435; 9056643; 10593896; 17456767; 11752352; 8663044 "Beaven AW, Shea TC: Recombinant human keratinocyte growth factor palifermin reduces oral mucositis and improves patient outcomes after stem cell transplant. Drugs Today (Barc). 2007 Jul;43(7):461-73.@@Radtke ML, Kolesar JM: Palifermin (Kepivance) for the treatment of oral mucositis in patients with hematologic malignancies requiring hematopoietic stem cell support. J Oncol Pharm Pract. 2005 Sep;11(3):121-5.@@Huang YW, Wang LS, Chang HL, Ye W, Shu S, Sugimoto Y, Lin YC: Effect of keratinocyte growth factor on cell viability in primary cultured human prostate cancer stromal cells. J Steroid Biochem Mol Biol. 2006 Jul;100(1-3):24-33. Epub 2006 Jul 18.@@Patrie KM, Kudla AJ, Olwin BB, Chiu IM: Conservation of ligand specificity between the mammalian and amphibian fibroblast growth factor receptors. J Biol Chem. 1995 Dec 1;270(48):29018-24.@@Cardoso WV, Itoh A, Nogawa H, Mason I, Brody JS: FGF-1 and FGF-7 induce distinct patterns of growth and differentiation in embryonic lung epithelium. Dev Dyn. 1997 Mar;208(3):398-405.@@Berman B, Ostrovsky O, Shlissel M, Lang T, Regan D, Vlodavsky I, Ishai-Michaeli R, Ron D: Similarities and differences between the effects of heparin and glypican-1 on the bioactivity of acidic fibroblast growth factor and the keratinocyte growth factor. J Biol Chem. 1999 Dec 17;274(51):36132-8.@@Zhu X, Lee K, Asa SL, Ezzat S: Epigenetic silencing through DNA and histone methylation of fibroblast growth factor receptor 2 in neoplastic pituitary cells. Am J Pathol. 2007 May;170(5):1618-28.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ornitz DM, Xu J, Colvin JS, McEwen DG, MacArthur CA, Coulier F, Gao G, Goldfarb M: Receptor specificity of the fibroblast growth factor family. J Biol Chem. 1996 Jun 21;271(25):15292-7." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Biological Factors; Intercellular Signaling Peptides and Proteins; Peptides; Proteins; Detoxifying Agents for Antineoplastic Treatment; Fibroblast Growth Factors; Mucocutaneous Epithelial Cell Growth Factor; Amino Acids, Peptides, and Proteins; Increased Epithelial Proliferation" 17147 46506691 PA164744014 P21781 DAP001026 Palifermin CHEMBL1201821 196319 DB00039 Palifermin BE0002131 FGFR1 P11362 FGFR1_HUMAN agonist 11714710; 10950949; 11091737; 10212269; 9890894; 8663044 "Ostrovsky O, Berman B, Gallagher J, Mulloy B, Fernig DG, Delehedde M, Ron D: Differential effects of heparin saccharides on the formation of specific fibroblast growth factor (FGF) and FGF receptor complexes. J Biol Chem. 2002 Jan 25;277(4):2444-53. Epub 2001 Nov 19.@@Sher I, Lang T, Lubinsky-Mink S, Kuhn J, Adir N, Chatterjee S, Schomburg D, Ron D: Identification of residues important both for primary receptor binding and specificity in fibroblast growth factor-7. J Biol Chem. 2000 Nov 10;275(45):34881-6.@@Matsubara A, Yasumoto H, Usui T: Hormone Refractory Prostate Cancer and Fibroblast Growth Factor Receptor. Breast Cancer. 1999 Oct 25;6(4):320-324.@@Lu W, Luo Y, Kan M, McKeehan WL: Fibroblast growth factor-10. A second candidate stromal to epithelial cell andromedin in prostate. J Biol Chem. 1999 Apr 30;274(18):12827-34.@@Wang F, Lu W, McKeehan K, Mohamedali K, Gabriel JL, Kan M, McKeehan WL: Common and specific determinants for fibroblast growth factors in the ectodomain of the receptor kinase complex. Biochemistry. 1999 Jan 5;38(1):160-71.@@Ornitz DM, Xu J, Colvin JS, McEwen DG, MacArthur CA, Coulier F, Gao G, Goldfarb M: Receptor specificity of the fibroblast growth factor family. J Biol Chem. 1996 Jun 21;271(25):15292-7." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Biological Factors; Intercellular Signaling Peptides and Proteins; Peptides; Proteins; Detoxifying Agents for Antineoplastic Treatment; Fibroblast Growth Factors; Mucocutaneous Epithelial Cell Growth Factor; Amino Acids, Peptides, and Proteins; Increased Epithelial Proliferation" 17147 46506691 PA164744014 P21781 DAP001026 Palifermin CHEMBL1201821 196319 DB00039 Palifermin BE0001031 HSPG2 P98160 PGBM_HUMAN ligand 10593896; 9788974; 16989989; 14753849; 9094999 "Berman B, Ostrovsky O, Shlissel M, Lang T, Regan D, Vlodavsky I, Ishai-Michaeli R, Ron D: Similarities and differences between the effects of heparin and glypican-1 on the bioactivity of acidic fibroblast growth factor and the keratinocyte growth factor. J Biol Chem. 1999 Dec 17;274(51):36132-8.@@Sharma B, Handler M, Eichstetter I, Whitelock JM, Nugent MA, Iozzo RV: Antisense targeting of perlecan blocks tumor growth and angiogenesis in vivo. J Clin Invest. 1998 Oct 15;102(8):1599-608.@@Iwabuchi T, Goetinck PF: Syndecan-4 dependent FGF stimulation of mouse vibrissae growth. Mech Dev. 2006 Nov;123(11):831-41. Epub 2006 Aug 12.@@Asada N, Tanaka Y, Hayashido Y, Toratani S, Kan M, Kitamoto M, Nakanishi T, Kajiyama G, Chayama K, Okamoto T: Expression of fibroblast growth factor receptor genes in human hepatoma-derived cell lines. In Vitro Cell Dev Biol Anim. 2003 Jul-Aug;39(7):321-8.@@Friedl A, Chang Z, Tierney A, Rapraeger AC: Differential binding of fibroblast growth factor-2 and -7 to basement membrane heparan sulfate: comparison of normal and abnormal human tissues. Am J Pathol. 1997 Apr;150(4):1443-55." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Biological Factors; Intercellular Signaling Peptides and Proteins; Peptides; Proteins; Detoxifying Agents for Antineoplastic Treatment; Fibroblast Growth Factors; Mucocutaneous Epithelial Cell Growth Factor; Amino Acids, Peptides, and Proteins; Increased Epithelial Proliferation" 17147 46506691 PA164744014 P21781 DAP001026 Palifermin CHEMBL1201821 196319 DB00040 Glucagon BE0000857 GLP1R P43220 GLP1R_HUMAN agonist 17475961; 17498508; 17534934; 12529935 "Korner M, Stockli M, Waser B, Reubi JC: GLP-1 receptor expression in human tumors and human normal tissues: potential for in vivo targeting. J Nucl Med. 2007 May;48(5):736-43.@@Baggio LL, Drucker DJ: Biology of incretins: GLP-1 and GIP. Gastroenterology. 2007 May;132(6):2131-57.@@Fischer AJ, Stanke JJ, Ghai K, Scott M, Omar G: Development of bullwhip neurons in the embryonic chicken retina. J Comp Neurol. 2007 Aug 1;503(4):538-49.@@Brubaker PL, Drucker DJ: Structure-function of the glucagon receptor family of G protein-coupled receptors: the glucagon, GIP, GLP-1, and GLP-2 receptors. Receptors Channels. 2002;8(3-4):179-88." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Gastrointestinal Hormones; Protein Precursors; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Glucagon, antagonists & inhibitors; Proteins; Decreased GI Smooth Muscle Tone; Hormones; Antihypoglycemic Agent; Decreased GI Motility; Increased Gluconeogenesis; Peptides; Pancreatic Hormones; Glycogenolytic Agents; Proglucagon; Decreased Glycolysis; Peptide Hormones; Gastrointestinal Motility Inhibitor; Increased Glycogenolysis; Glycogenolytic Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 11363 46504732 D00116 PA164779052 Q8MJ25 DAP001037 Glucagon CHEMBL266481 261716 DB00041 Aldesleukin BE0000651 IL2RB P14784 IL2RB_HUMAN agonist 16477002; 16542139; 16569767; 16596189; 16617454; 11752352 "Stauber DJ, Debler EW, Horton PA, Smith KA, Wilson IA: Crystal structure of the IL-2 signaling complex: paradigm for a heterotrimeric cytokine receptor. Proc Natl Acad Sci U S A. 2006 Feb 21;103(8):2788-93. Epub 2006 Feb 13.@@Steppan S, Eckart MR, Bajsarowicz K, Sternberg LR, Greve JM, Cassell DJ: Reduced secondary cytokine induction by BAY 50-4798, a high-affinity receptor-specific interleukin-2 analog. J Interferon Cytokine Res. 2006 Mar;26(3):171-8.@@Cornish GH, Sinclair LV, Cantrell DA: Differential regulation of T-cell growth by IL-2 and IL-15. Blood. 2006 Jul 15;108(2):600-8. Epub 2006 Mar 28.@@Lee KD, Chen HW, Chen CC, Shih YC, Liu HK, Cheng ML: Construction and characterization of a novel fusion protein consisting of anti-CD3 antibody fused to recombinant interleukin-2. Oncol Rep. 2006 May;15(5):1211-6.@@Maclennan C, Hutchinson P, Holdsworth S, Bardin PG, Freezer NJ: Airway inflammation in asymptomatic children with episodic wheeze. Pediatr Pulmonol. 2006 Jun;41(6):577-83.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Myelosuppressive Agents; Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Interleukins; Adjuvants, Immunologic; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Increased Lymphocyte Activation; Immunotherapy; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Proteins; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Lymphokines; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peptides; Anti-HIV Agents; Cytokines; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Lymphocyte Growth Factor; Increased Lymphocyte Cell Production; Narrow Therapeutic Index Drugs" 278 46508054 PA448081 P60569 DAP001099 Interleukin_2 CHEMBL1201438 70223 DB00041 Aldesleukin BE0000658 IL2RA P01589 IL2RA_HUMAN agonist 17216565; 16767920; 17530023; 17584597; 16864089; 11752352; 10207608 "Waldmann TA: Anti-Tac (daclizumab, Zenapax) in the treatment of leukemia, autoimmune diseases, and in the prevention of allograft rejection: a 25-year personal odyssey. J Clin Immunol. 2007 Jan;27(1):1-18. Epub 2007 Jan 11.@@Recchia F, Cesta A, Rea S: Low dose interleukin-2 and 13-cis-retinoic acid as maintenance therapy in patients with solid tumors responsive to chemotherapy. J Exp Clin Cancer Res. 2003 Dec;22(4 Suppl):135-43.@@Waldmann TA: Daclizumab (anti-Tac, Zenapax) in the treatment of leukemia/lymphoma. Oncogene. 2007 May 28;26(25):3699-703.@@Vlad G, Ho EK, Vasilescu ER, Fan J, Liu Z, Cai JW, Jin Z, Burke E, Deng M, Cadeiras M, Cortesini R, Itescu S, Marboe C, Mancini D, Suciu-Foca N: Anti-CD25 treatment and FOXP3-positive regulatory T cells in heart transplantation. Transpl Immunol. 2007 Jul;18(1):13-21. Epub 2007 Apr 2.@@Liu BY, Zhu P, Luo HB, Fu N: [Screening of short peptides binding to cell surface interleukin-2 receptor alpha chain]. Nan Fang Yi Ke Da Xue Xue Bao. 2006 Jul;26(7):971-4.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ouyang Y, Kaminski NE: Phospholipase A2 inhibitors p-bromophenacyl bromide and arachidonyl trifluoromethyl ketone suppressed interleukin-2 (IL-2) expression in murine primary splenocytes. Arch Toxicol. 1999 Feb;73(1):1-6." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Myelosuppressive Agents; Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Interleukins; Adjuvants, Immunologic; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Increased Lymphocyte Activation; Immunotherapy; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Proteins; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Lymphokines; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peptides; Anti-HIV Agents; Cytokines; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Lymphocyte Growth Factor; Increased Lymphocyte Cell Production; Narrow Therapeutic Index Drugs" 278 46508054 PA448081 P60569 DAP001099 Interleukin_2 CHEMBL1201438 70223 DB00041 Aldesleukin BE0002102 IL2RG P31785 IL2RG_HUMAN agonist 16477002; 17598841; 17635814; 17083048; 17363735 "Stauber DJ, Debler EW, Horton PA, Smith KA, Wilson IA: Crystal structure of the IL-2 signaling complex: paradigm for a heterotrimeric cytokine receptor. Proc Natl Acad Sci U S A. 2006 Feb 21;103(8):2788-93. Epub 2006 Feb 13.@@Shibata F, Toma T, Wada T, Inoue M, Tone Y, Ohta K, Kasahara Y, Sano F, Kimura M, Ikeno M, Koizumi S, Yachie A: Skin infiltration of CD56(bright) CD16(-) natural killer cells in a case of X-SCID with Omenn syndrome-like manifestations. Eur J Haematol. 2007 Jul;79(1):81-5.@@Fonseca SG, Reis MM, Coelho V, Nogueira LG, Monteiro SM, Mairena EC, Bacal F, Bocchi E, Guilherme L, Zheng XX, Liew FY, Higuchi ML, Kalil J, Cunha-Neto E: Locally produced survival cytokines IL-15 and IL-7 may be associated to the predominance of CD8+ T cells at heart lesions of human chronic Chagas disease cardiomyopathy. Scand J Immunol. 2007 Aug-Sep;66(2-3):362-71.@@Blank RB, Lamb EW, Tocheva AS, Crow ET, Lim KC, McKerrow JH, Davies SJ: The common gamma chain cytokines interleukin (IL)-2 and IL-7 indirectly modulate blood fluke development via effects on CD4+ T cells. J Infect Dis. 2006 Dec 1;194(11):1609-16. Epub 2006 Oct 23.@@Smyth CM, Ginn SL, Deakin CT, Logan GJ, Alexander IE: Limiting {gamma}c expression differentially affects signaling via the interleukin (IL)-7 and IL-15 receptors. Blood. 2007 Jul 1;110(1):91-8. Epub 2007 Mar 15." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Myelosuppressive Agents; Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Interleukins; Adjuvants, Immunologic; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Increased Lymphocyte Activation; Immunotherapy; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Proteins; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Lymphokines; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peptides; Anti-HIV Agents; Cytokines; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Lymphocyte Growth Factor; Increased Lymphocyte Cell Production; Narrow Therapeutic Index Drugs" 278 46508054 PA448081 P60569 DAP001099 Interleukin_2 CHEMBL1201438 70223 DB00042 Botulinum toxin type B BE0002137 VAMP2 P63027 VAMP2_HUMAN binder 14573702; 11752352 "Liu W, Montana V, Chapman ER, Mohideen U, Parpura V: Botulinum toxin type B micromechanosensor. Proc Natl Acad Sci U S A. 2003 Nov 11;100(23):13621-5. Epub 2003 Oct 22.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Metalloendopeptidases; Agents that produce neuromuscular block (indirect); Enzymes and Coenzymes; Cholinergic Agents; Bacterial Proteins; Amino Acids, Peptides, and Proteins; Amphibian Venoms; Central Nervous System Depressants; Hydrolases; Muscle Relaxants; Toxins, Biological; Proteins; Membrane Transport Modulators; Enzymes; Acetylcholine Release Inhibitors; Musculo-Skeletal System; Biological Factors; Complex Mixtures; Bacterial Toxins; Metalloproteases; Neurotoxins; Botulinum Toxins; Peptide Hydrolases; Central Nervous System Agents; Neurotransmitter Agents; Ganglion Blockers; Venoms; Muscle Relaxants, Peripherally Acting Agents; Other Miscellaneous Therapeutic Agents; Endopeptidases; Anti-Dyskinesia Agents" 12854 46504750 D02735 PA164747061 P10844 DAP001272 Botulinum_toxin CHEMBL1201569 860178 DB00042 Botulinum toxin type B BE0002136 VAMP1 P23763 VAMP1_HUMAN binder 17139284; 17016423; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Metalloendopeptidases; Agents that produce neuromuscular block (indirect); Enzymes and Coenzymes; Cholinergic Agents; Bacterial Proteins; Amino Acids, Peptides, and Proteins; Amphibian Venoms; Central Nervous System Depressants; Hydrolases; Muscle Relaxants; Toxins, Biological; Proteins; Membrane Transport Modulators; Enzymes; Acetylcholine Release Inhibitors; Musculo-Skeletal System; Biological Factors; Complex Mixtures; Bacterial Toxins; Metalloproteases; Neurotoxins; Botulinum Toxins; Peptide Hydrolases; Central Nervous System Agents; Neurotransmitter Agents; Ganglion Blockers; Venoms; Muscle Relaxants, Peripherally Acting Agents; Other Miscellaneous Therapeutic Agents; Endopeptidases; Anti-Dyskinesia Agents" 12854 46504750 D02735 PA164747061 P10844 DAP001272 Botulinum_toxin CHEMBL1201569 860178 DB00042 Botulinum toxin type B BE0002138 SYT2 Q8N9I0 SYT2_HUMAN 17139284; 17016423; 19576489 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Poulain B, Lonchamp E, Jover E, Popoff MR, Molgo J: [Mechanisms of action of botulinum toxins and neurotoxins]. Ann Dermatol Venereol. 2009 May;136 Suppl 4:S73-6. doi: 10.1016/S0151-9638(09)74531-4." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Metalloendopeptidases; Agents that produce neuromuscular block (indirect); Enzymes and Coenzymes; Cholinergic Agents; Bacterial Proteins; Amino Acids, Peptides, and Proteins; Amphibian Venoms; Central Nervous System Depressants; Hydrolases; Muscle Relaxants; Toxins, Biological; Proteins; Membrane Transport Modulators; Enzymes; Acetylcholine Release Inhibitors; Musculo-Skeletal System; Biological Factors; Complex Mixtures; Bacterial Toxins; Metalloproteases; Neurotoxins; Botulinum Toxins; Peptide Hydrolases; Central Nervous System Agents; Neurotransmitter Agents; Ganglion Blockers; Venoms; Muscle Relaxants, Peripherally Acting Agents; Other Miscellaneous Therapeutic Agents; Endopeptidases; Anti-Dyskinesia Agents" 12854 46504750 D02735 PA164747061 P10844 DAP001272 Botulinum_toxin CHEMBL1201569 860178 DB00043 Omalizumab BE0000015 FCER1A P12319 FCERA_HUMAN inhibitor 15356552; 17368811; 26288408 "Beck LA, Marcotte GV, MacGlashan D, Togias A, Saini S: Omalizumab-induced reductions in mast cell Fce psilon RI expression and function. J Allergy Clin Immunol. 2004 Sep;114(3):527-30.@@Mirkina I, Schweighoffer T, Kricek F: Inhibition of human cord blood-derived mast cell responses by anti-Fc epsilon RI mAb 15/1 versus anti-IgE Omalizumab. Immunol Lett. 2007 Apr 15;109(2):120-8. Epub 2007 Mar 1.@@Godse K, Mehta A, Patil S, Gautam M, Nadkarni N: Omalizumab-A Review. Indian J Dermatol. 2015 Jul-Aug;60(4):381-4. doi: 10.4103/0019-5154.160490." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Anti-Allergic Agents; Antibodies, Monoclonal; Serum Globulins; Respiratory Agents, Miscellaneous; Immunoproteins; Antibodies, Monoclonal, Humanized; Anti-Asthmatic Agents; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Agents to Treat Airway Disease; Proteins; Immunoglobulins; IgE-directed Antibody Interactions; Respiratory System Agents; Anti-IgE; Decreased IgE Activity; Blood Proteins" 13365 46507002 PA164752253 P01857 DAP000387 Omalizumab CHEMBL1201589 302379 DB00044 Lutropin alfa BE0000134 LHCGR P22888 LSHR_HUMAN agonist 17139284; 17016423; 20161981; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Gibreel A, Bhattacharya S: Recombinant follitropin alfa/lutropin alfa in fertility treatment. Biologics. 2010 Feb 4;4:5-17.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Gonadotropins; Gonadotropins and Antigonadotropins; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones 7347 46507624 PA164750539 P01229 DAP001103 Luteinizing_hormone CHEMBL1201419 388084 DB00046 Insulin lispro BE0000033 INSR P06213 INSR_HUMAN agonist 11752352; 8964871; 8937933; 20424816; 27512793 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Jehle PM, Fussgaenger RD, Kunze U, Dolderer M, Warchol W, Koop I: The human insulin analog insulin lispro improves insulin binding on circulating monocytes of intensively treated insulin-dependent diabetes mellitus patients. J Clin Endocrinol Metab. 1996 Jun;81(6):2319-27.@@Jehle PM, Fussganger RD, Seibold A, Luttke B, Bohm BO: Pharmacodynamics of insulin Lispro in 2 patients with type II diabetes mellitus. Int J Clin Pharmacol Ther. 1996 Nov;34(11):498-503.@@Sciacca L, Cassarino MF, Genua M, Pandini G, Le Moli R, Squatrito S, Vigneri R: Insulin analogues differently activate insulin receptor isoforms and post-receptor signalling. Diabetologia. 2010 Aug;53(8):1743-53. doi: 10.1007/s00125-010-1760-6. Epub 2010 Apr 28.@@De Meyts P: The Insulin Receptor and Its Signal Transduction Network ." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; Insulin Analog; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Insulins and Analogues for Injection, Fast-Acting; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 12028 46507498 D04477 PA164747059 DNC000800 Insulin_lispro CHEMBL1201538 314684 DB00046 Insulin lispro BE0000858 IGF1R P08069 IGF1R_HUMAN activator 22420005; 31771180; 25905175 "Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct.@@Sarfstein R, Nagaraj K, LeRoith D, Werner H: Differential Effects of Insulin and IGF1 Receptors on ERK and AKT Subcellular Distribution in Breast Cancer Cells. Cells. 2019 Nov 23;8(12). pii: cells8121499. doi: 10.3390/cells8121499.@@Donner T, Sarkar S: Insulin - Pharmacology, Therapeutic Regimens, and Principles of Intensive Insulin Therapy ." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; Insulin Analog; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Insulins and Analogues for Injection, Fast-Acting; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 12028 46507498 D04477 PA164747059 DNC000800 Insulin_lispro CHEMBL1201538 314684 DB00047 Insulin glargine BE0000033 INSR P06213 INSR_HUMAN agonist 11752352; 17922476; 20424816; 18585815 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Le Roith D: Insulin glargine and receptor-mediated signalling: clinical implications in treating type 2 diabetes. Diabetes Metab Res Rev. 2007 Nov;23(8):593-9.@@Sciacca L, Cassarino MF, Genua M, Pandini G, Le Moli R, Squatrito S, Vigneri R: Insulin analogues differently activate insulin receptor isoforms and post-receptor signalling. Diabetologia. 2010 Aug;53(8):1743-53. doi: 10.1007/s00125-010-1760-6. Epub 2010 Apr 28.@@Wada T, Azegami M, Sugiyama M, Tsuneki H, Sasaoka T: Characteristics of signalling properties mediated by long-acting insulin analogue glargine and detemir in target cells of insulin. Diabetes Res Clin Pract. 2008 Sep;81(3):269-77. doi: 10.1016/j.diabres.2008.05.007. Epub 2008 Jun 27." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Insulin Analog; Antimetabolites; Cytochrome P-450 CYP1A2 Inducers; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Cytochrome P-450 Enzyme Inducers; Lipid Regulating Agents; Alimentary Tract and Metabolism; Hormones; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Complex Mixtures; Peptides; Pancreatic Hormones; Insulin; Hypolipidemic Agents; Drugs Used in Diabetes; Biological Products; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Long-Acting; Hormones, Hormone Substitutes, and Hormone Antagonists" 12724 46507981 D03250 PA449992 DAP001088 Insulin_glargine CHEMBL1201497 274783 DB00047 Insulin glargine BE0000858 IGF1R P08069 IGF1R_HUMAN activator 22420005; 20938889; 17922476 "Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct.@@Ciaraldi TP, Sasaoka T: Review on the in vitro interaction of insulin glargine with the insulin/insulin-like growth factor system: potential implications for metabolic and mitogenic activities. Horm Metab Res. 2011 Jan;43(1):1-10. doi: 10.1055/s-0030-1267203. Epub 2010 Oct 11.@@Le Roith D: Insulin glargine and receptor-mediated signalling: clinical implications in treating type 2 diabetes. Diabetes Metab Res Rev. 2007 Nov;23(8):593-9." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Insulin Analog; Antimetabolites; Cytochrome P-450 CYP1A2 Inducers; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Cytochrome P-450 Enzyme Inducers; Lipid Regulating Agents; Alimentary Tract and Metabolism; Hormones; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Complex Mixtures; Peptides; Pancreatic Hormones; Insulin; Hypolipidemic Agents; Drugs Used in Diabetes; Biological Products; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Long-Acting; Hormones, Hormone Substitutes, and Hormone Antagonists" 12724 46507981 D03250 PA449992 DAP001088 Insulin_glargine CHEMBL1201497 274783 DB00048 Collagenase clostridium histolyticum BE0002130 COL3A1 P02461 CO3A1_HUMAN binder 17139284; 17016423; 2145268 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Cole WG, Chiodo AA, Lamande SR, Janeczko R, Ramirez F, Dahl HH, Chan D, Bateman JF: A base substitution at a splice site in the COL3A1 gene causes exon skipping and generates abnormal type III procollagen in a patient with Ehlers-Danlos syndrome type IV. J Biol Chem. 1990 Oct 5;265(28):17070-7." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Metalloendopeptidases; Peptide Hydrolases; Musculo-Skeletal System; Preparations for Treatment of Wounds and Ulcers; Collagen-specific Enzyme; Hydrolases; Enzymes and Coenzymes; Metalloproteases; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Collagenases; Endopeptidases; Microbial Collagenase, antagonists & inhibitors; Enzymes" 2150 46506485 PA449107 DAP000965 Collagenase 58939 DB00050 Cetrorelix BE0000203 GNRHR P30968 GNRHR_HUMAN antagonist 11854630; 12606421; 14561652; 14605254; 16809153; 11752352 "Volker P, Grundker C, Schmidt O, Schulz KD, Emons G: Expression of receptors for luteinizing hormone-releasing hormone in human ovarian and endometrial cancers: frequency, autoregulation, and correlation with direct antiproliferative activity of luteinizing hormone-releasing hormone analogues. Am J Obstet Gynecol. 2002 Feb;186(2):171-9.@@Zapatero-Caballero H, Sanchez-Franco F, Guerra-Perez N, Fernandez-Mendez C, Fernandez-Vazquez G: Gonadotropin-releasing hormone receptor gene expression during pubertal development of male rats. Biol Reprod. 2003 May;68(5):1764-70. Epub 2002 Dec 11.@@Zapatero-Caballero H, Sanchez-Franco F, Fernandez-Mendez C, Garcia-San Frutos M, Botella-Cubells LM, Fernandez-Vazquez G: Gonadotropin-releasing hormone receptor gene expression during pubertal development of female rats. Biol Reprod. 2004 Feb;70(2):348-55. Epub 2003 Oct 15.@@Roth C, Hegemann F, Hildebrandt J, Balzer I, Witt A, Wuttke W, Jarry H: Pituitary and gonadal effects of GnRH (gonadotropin releasing hormone) analogues in two peripubertal female rat models. Pediatr Res. 2004 Jan;55(1):126-33. Epub 2003 Nov 6.@@Castellon E, Clementi M, Hitschfeld C, Sanchez C, Benitez D, Saenz L, Contreras H, Huidobro C: Effect of leuprolide and cetrorelix on cell growth, apoptosis, and GnRH receptor expression in primary cell cultures from human prostate carcinoma. Cancer Invest. 2006 Apr-May;24(3):261-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Polypeptides Organic compounds; Organic Polymers; Polypeptides "Anti-Gonadotropin-Releasing Hormones; Pituitary Hormone-Releasing Hormones; Fertility Agents, Female; Gonadotropin-releasing Hormone Antagonists; Hormone Antagonists; Amino Acids, Peptides, and Proteins; Decreased GnRH Secretion; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Gonadotropin Releasing Hormone Receptor Antagonists; Nerve Tissue Proteins; Proteins; Fertility Agents; Hormones; Reproductive Control Agents; Oligopeptides; Neuropeptides; Peptides; Peptide Hormones; Hypothalamic Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O 13224 46505494 D07665 PA164764506 DAP000096 Cetrorelix CHEMBL1200490 68147 DB00050 Cetrorelix BE0000134 LHCGR P22888 LSHR_HUMAN 17139284; 17016423; 11943741 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Ascoli M, Fanelli F, Segaloff DL: The lutropin/choriogonadotropin receptor, a 2002 perspective. Endocr Rev. 2002 Apr;23(2):141-74." Approved; Investigational Polypeptides Organic compounds; Organic Polymers; Polypeptides "Anti-Gonadotropin-Releasing Hormones; Pituitary Hormone-Releasing Hormones; Fertility Agents, Female; Gonadotropin-releasing Hormone Antagonists; Hormone Antagonists; Amino Acids, Peptides, and Proteins; Decreased GnRH Secretion; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Gonadotropin Releasing Hormone Receptor Antagonists; Nerve Tissue Proteins; Proteins; Fertility Agents; Hormones; Reproductive Control Agents; Oligopeptides; Neuropeptides; Peptides; Peptide Hormones; Hypothalamic Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O 13224 46505494 D07665 PA164764506 DAP000096 Cetrorelix CHEMBL1200490 68147 DB00052 Somatotropin BE0000075 GHR P10912 GHR_HUMAN ligand 16917171; 16965663; 17082603; 17128263; 17133434; 11752352; 22291494 "Walenkamp MJ, Wit JM: Genetic disorders in the growth hormone - insulin-like growth factor-I axis. Horm Res. 2006;66(5):221-30.@@Wu XY, Xu Z, Chen C, Liu FK, Li JS: [Correlation of growth hormone receptor expression to preoperative radiosensitivity of rectal cancer patients]. Ai Zheng. 2006 Sep;25(9):1162-7.@@Adriani M, Garbi C, Amodio G, Russo I, Giovannini M, Amorosi S, Matrecano E, Cosentini E, Candotti F, Pignata C: Functional interaction of common gamma-chain and growth hormone receptor signaling apparatus. J Immunol. 2006 Nov 15;177(10):6889-95.@@Choi JH, Kim HS, Kim SH, Yang YR, Bae YS, Chang JS, Kwon HM, Ryu SH, Suh PG: Phospholipase Cgamma1 negatively regulates growth hormone signalling by forming a ternary complex with Jak2 and protein tyrosine phosphatase-1B. Nat Cell Biol. 2006 Dec;8(12):1389-97. Epub 2006 Nov 26.@@Bernstein RM, Leigh SR, Donovan SM, Monaco MH: Hormones and body size evolution in papionin primates. Am J Phys Anthropol. 2007 Feb;132(2):247-60.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Reh CS, Geffner ME: Somatotropin in the treatment of growth hormone deficiency and Turner syndrome in pediatric patients: a review. Clin Pharmacol. 2010;2:111-22. doi: 10.2147/CPAA.S6525. Epub 2010 Jun 1." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Cytochrome P-450 CYP1A2 Inducers; Recombinant Human Growth Hormone; Somatotropin Agonists; Pituitary; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Somatropin and Somatropin Agonists; Cytochrome P-450 Enzyme Inhibitors; Anterior Pituitary Lobe Hormones and Analogues; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Hormones; Growth Hormone; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Growth Hormone, antagonists & inhibitors; Pituitary Hormones, Anterior; Peptides; Peptide Hormones; Cytochrome P-450 CYP2C19 Inhibitors; Human Growth Hormone, antagonists & inhibitors; Pituitary Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" 7364 46506010 PA451446 P58756 DAP001054 Growth_hormone CHEMBL1201621 314845 DB00052 Somatotropin BE0000345 PRLR P16471 PRLR_HUMAN ligand 17279774; 17395896; 17317019; 2270485 "Keeler C, Jablonski EM, Albert YB, Taylor BD, Myszka DG, Clevenger CV, Hodsdon ME: The kinetics of binding human prolactin, but not growth hormone, to the prolactin receptor vary over a physiologic pH range. Biochemistry. 2007 Mar 6;46(9):2398-410. Epub 2007 Feb 6.@@Ahmed TA, Buzzelli MD, Lang CH, Capen JB, Shumate ML, Navaratnarajah M, Nagarajan M, Cooney RN: Interleukin-6 inhibits growth hormone-mediated gene expression in hepatocytes. Am J Physiol Gastrointest Liver Physiol. 2007 Jun;292(6):G1793-803. Epub 2007 Mar 29.@@Moderscheim TA, Gorba T, Pathipati P, Kokay IC, Grattan DR, Williams CE, Scheepens A: Prolactin is involved in glial responses following a focal injury to the juvenile rat brain. Neuroscience. 2007 Mar 30;145(3):963-73. Epub 2007 Feb 20.@@Cunningham BC, Bass S, Fuh G, Wells JA: Zinc mediation of the binding of human growth hormone to the human prolactin receptor. Science. 1990 Dec 21;250(4988):1709-12." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Cytochrome P-450 CYP1A2 Inducers; Recombinant Human Growth Hormone; Somatotropin Agonists; Pituitary; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Somatropin and Somatropin Agonists; Cytochrome P-450 Enzyme Inhibitors; Anterior Pituitary Lobe Hormones and Analogues; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Hormones; Growth Hormone; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Growth Hormone, antagonists & inhibitors; Pituitary Hormones, Anterior; Peptides; Peptide Hormones; Cytochrome P-450 CYP2C19 Inhibitors; Human Growth Hormone, antagonists & inhibitors; Pituitary Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" 7364 46506010 PA451446 P58756 DAP001054 Growth_hormone CHEMBL1201621 314845 DB00055 Drotrecogin alfa BE0000016 F8 P00451 FA8_HUMAN inhibitor 9184404; 18954704; 11752352; 6419799 "Geng JP, Castellino FJ: Properties of a recombinant chimeric protein in which the gamma-carboxyglutamic acid and helical stack domains of human anticoagulant protein C are replaced by those of human coagulation factor VII. Thromb Haemost. 1997 May;77(5):926-33.@@Colin G, Annane D: Corticosteroids and human recombinant activated protein C for septic shock. Clin Chest Med. 2008 Dec;29(4):705-12, x. doi: 10.1016/j.ccm.2008.06.009.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Fulcher CA, Gardiner JE, Griffin JH, Zimmerman TS: Proteolytic inactivation of human factor VIII procoagulant protein by activated human protein C and its analogy with factor V. Blood. 1984 Feb;63(2):486-9." Approved; Investigational; Withdrawn Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Anti-Infective Agents; Protein Precursors; Biological Factors; Recombinant Activated Protein C; Blood and Blood Forming Organs; Carbohydrates; Enzyme Precursors; Anticoagulants; Enzymes and Coenzymes; Fibrinolytic Agents; Proteins; Blood Coagulation Factor Inhibitors; Glycoconjugates; Blood Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins; Enzymes" 12084 46505655 PA131548935 P04070 DAP000151 Drotrecogin_alfa 352374 DB00055 Drotrecogin alfa BE0000041 F5 P12259 FA5_HUMAN inhibitor 11236773; 11714212; 11893230; 12004250; 12030642; 11752352; 6419799 "Bernard GR, Vincent JL, Laterre PF, LaRosa SP, Dhainaut JF, Lopez-Rodriguez A, Steingrub JS, Garber GE, Helterbrand JD, Ely EW, Fisher CJ Jr: Efficacy and safety of recombinant human activated protein C for severe sepsis. N Engl J Med. 2001 Mar 8;344(10):699-709.@@Kanji S, Devlin JW, Piekos KA, Racine E: Recombinant human activated protein C, drotrecogin alfa (activated): a novel therapy for severe sepsis. Pharmacotherapy. 2001 Nov;21(11):1389-402.@@Lyseng-Williamson KA, Perry CM: Drotrecogin alfa (activated). Drugs. 2002;62(4):617-30; discussion 631-2.@@Joyce DE, Grinnell BW: Recombinant human activated protein C attenuates the inflammatory response in endothelium and monocytes by modulating nuclear factor-kappaB. Crit Care Med. 2002 May;30(5 Suppl):S288-93.@@Poe K: Drotrecogin alfa (activated) approved for treatment of severe sepsis. J Am Pharm Assoc (Wash). 2002 May-Jun;42(3):520-2.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Fulcher CA, Gardiner JE, Griffin JH, Zimmerman TS: Proteolytic inactivation of human factor VIII procoagulant protein by activated human protein C and its analogy with factor V. Blood. 1984 Feb;63(2):486-9." Approved; Investigational; Withdrawn Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Anti-Infective Agents; Protein Precursors; Biological Factors; Recombinant Activated Protein C; Blood and Blood Forming Organs; Carbohydrates; Enzyme Precursors; Anticoagulants; Enzymes and Coenzymes; Fibrinolytic Agents; Proteins; Blood Coagulation Factor Inhibitors; Glycoconjugates; Blood Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins; Enzymes" 12084 46505655 PA131548935 P04070 DAP000151 Drotrecogin_alfa 352374 DB00056 Gemtuzumab ozogamicin BE0000710 FCGR1A P12314 FCGR1_HUMAN 7509291 "Ericson SG, Benoit NE, Mills LE, Fanger MW: The effect of recombinant human interleukin-3 and recombinant human granulocyte-macrophage colony-stimulating factor on Fc gamma receptor expression and antibody-dependent cellular cytotoxicity of hematopoietic progenitor cells during in vitro myeloid maturation. Exp Hematol. 1994 Mar;22(3):283-9." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Myelosuppressive Agents; Serum Globulins; Cancer immunotherapy; Glycosides; Carbohydrates; Immunoproteins; Antibodies, Monoclonal, Humanized; CD33-directed Cytotoxin; Globulins; Noxae; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Immunotoxins; Immunologic Factors; Proteins; Antineoplastic Agents; Immunoglobulins; Hepatotoxic Agents; Antibody-drug Conjugates; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoconjugates; CD33-directed Antibody Interactions; Calicheamicins; Narrow Therapeutic Index Drugs; Toxic Actions; Blood Proteins" 23390 46505767 PA164749431 DAP000390 Gemtuzumab_ozogamicin CHEMBL1201506 1294580 DB00060 Interferon beta-1a BE0000661 IFNAR1 P17181 INAR1_HUMAN agonist 10049744; 16912135; 12034032; 11747625 "Russell-Harde D, Wagner TC, Perez HD, Croze E: Formation of a uniquely stable type I interferon receptor complex by interferon beta is dependent upon particular interactions between interferon beta and its receptor and independent of tyrosine phosphorylation. Biochem Biophys Res Commun. 1999 Feb 16;255(2):539-44.@@van Koetsveld PM, Vitale G, de Herder WW, Feelders RA, van der Wansem K, Waaijers M, van Eijck CH, Speel EJ, Croze E, van der Lely AJ, Lamberts SW, Hofland LJ: Potent inhibitory effects of type I interferons on human adrenocortical carcinoma cell growth. J Clin Endocrinol Metab. 2006 Nov;91(11):4537-43. Epub 2006 Aug 15.@@Dupont SA, Goelz S, Goyal J, Green M: Mechanisms for regulation of cellular responsiveness to human IFN-beta1a. J Interferon Cytokine Res. 2002 Apr;22(4):491-501.@@Runkel L, De Dios C, Karpusas M, Baker D, Li Z, Zafari M, Betzenhauser M, Muldowney C, Miller S, Redlich PN, Grossberg SE, Whitty A, Hochman PS: Mapping of IFN-beta epitopes important for receptor binding and biologic activation: comparison of results achieved using antibody-based methods and alanine substitution mutagenesis. J Interferon Cytokine Res. 2001 Nov;21(11):931-41." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Immunomodulatory Agents; Antiviral Agents; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Amino Acids, Peptides, and Proteins; Recombinant Human Interferon beta; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Proteins; Interferons; Biological Factors; Peptides; Cytokines; Interferon-beta; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" 11746 46504899 PA450037 P01574 DAP001282 Interferon_beta-1a CHEMBL1201562 75917 DB00060 Interferon beta-1a BE0000385 IFNAR2 P48551 INAR2_HUMAN 16912135; 11747625 "van Koetsveld PM, Vitale G, de Herder WW, Feelders RA, van der Wansem K, Waaijers M, van Eijck CH, Speel EJ, Croze E, van der Lely AJ, Lamberts SW, Hofland LJ: Potent inhibitory effects of type I interferons on human adrenocortical carcinoma cell growth. J Clin Endocrinol Metab. 2006 Nov;91(11):4537-43. Epub 2006 Aug 15.@@Runkel L, De Dios C, Karpusas M, Baker D, Li Z, Zafari M, Betzenhauser M, Muldowney C, Miller S, Redlich PN, Grossberg SE, Whitty A, Hochman PS: Mapping of IFN-beta epitopes important for receptor binding and biologic activation: comparison of results achieved using antibody-based methods and alanine substitution mutagenesis. J Interferon Cytokine Res. 2001 Nov;21(11):931-41." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Immunomodulatory Agents; Antiviral Agents; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Amino Acids, Peptides, and Proteins; Recombinant Human Interferon beta; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Proteins; Interferons; Biological Factors; Peptides; Cytokines; Interferon-beta; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" 11746 46504899 PA450037 P01574 DAP001282 Interferon_beta-1a CHEMBL1201562 75917 DB00061 Pegademase BE0000917 GRB2 P62993 GRB2_HUMAN binder 9299436 "Ramos-Morales F, Dominguez A, Rios RM, Barroso SI, Infante C, Schweighoffer F, Tocque B, Pintor-Toro JA, Tortolero M: Adenosine deaminase is a specific partner for the Grb2 isoform Grb3-3. Biochem Biophys Res Commun. 1997 Aug 28;237(3):735-40." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antineoplastic and Immunomodulating Agents; Hydrolases; Enzymes and Coenzymes; Aminohydrolases; Adjuvants, Immunologic; Bovine Intestinal Adenosine Deaminase; Pegylated agents; Nucleoside Deaminases; Severe Combined Immunodeficiency; Enzymes" 46508490 PA450831 P56658 Adenosine_deaminase CHEMBL1201514 59768 DB00063 Eptifibatide BE0009351 CACNA1B Q00975 CAC1B_HUMAN antagonist 9825033 Chong PH: Glycoprotein IIb/IIIa receptor antagonists in the management of cardiovascular diseases. Am J Health Syst Pharm. 1998 Nov 15;55(22):2363-86. doi: 10.1093/ajhp/55.22.2363. Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptides, Cyclic; Blood and Blood Forming Organs; Hematologic Agents; Peptides; Platelet Aggregation Inhibitors Excl. Heparin; Amino Acids, Peptides, and Proteins; Antiplatelet agents; Decreased Platelet Aggregation" Eptifibatide Action Pathway drug_action 11891 46505459 PA449483 DAP000285 Eptifibatide CHEMBL1174 75635 DB00067 Vasopressin BE0000165 AVPR1A P37288 V1AR_HUMAN agonist 17275806; 16532916; 16511036; 16011575; 17303660; 29480411; 33435837; 32946151 "Hiroyama M, Wang S, Aoyagi T, Oikawa R, Sanbe A, Takeo S, Tanoue A: Vasopressin promotes cardiomyocyte hypertrophy via the vasopressin V1A receptor in neonatal mice. Eur J Pharmacol. 2007 Mar 22;559(2-3):89-97. Epub 2006 Dec 29.@@Liedman R, Grant L, Igidbashian S, James I, McLeod A, Skillern L, Akerlund M: Intrauterine pressure, ischemia markers, and experienced pain during administration of a vasopressin V1a receptor antagonist in spontaneous and vasopressin-induced dysmenorrhea. Acta Obstet Gynecol Scand. 2006;85(2):207-11.@@Adikesavan NV, Mahmood SS, Stanley N, Xu Z, Wu N, Thibonnier M, Shoham M: A C-terminal segment of the V1R vasopressin receptor is unstructured in the crystal structure of its chimera with the maltose-binding protein. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2005 Apr 1;61(Pt 4):341-5. Epub 2005 Mar 24.@@Hammock EA, Lim MM, Nair HP, Young LJ: Association of vasopressin 1a receptor levels with a regulatory microsatellite and behavior. Genes Brain Behav. 2005 Jul;4(5):289-301.@@Aoyagi T, Birumachi J, Hiroyama M, Fujiwara Y, Sanbe A, Yamauchi J, Tanoue A: Alteration of glucose homeostasis in V1a vasopressin receptor-deficient mice. Endocrinology. 2007 May;148(5):2075-84. Epub 2007 Feb 15.@@Lozic M, Sarenac O, Murphy D, Japundzic-Zigon N: Vasopressin, Central Autonomic Control and Blood Pressure Regulation. Curr Hypertens Rep. 2018 Feb 26;20(2):11. doi: 10.1007/s11906-018-0811-0.@@Urbach J, Goldsmith SR: Vasopressin antagonism in heart failure: a review of the hemodynamic studies and major clinical trials. Ther Adv Cardiovasc Dis. 2021 Jan-Dec;15:1753944720977741. doi: 10.1177/1753944720977741.@@Mondritzki T, Mai TA, Vogel J, Pook E, Wasnaire P, Schmeck C, Huser J, Dinh W, Truebel H, Kolkhof P: Cardiac output improvement by pecavaptan: a novel dual-acting vasopressin V1a/V2 receptor antagonist in experimental heart failure. Eur J Heart Fail. 2021 May;23(5):743-750. doi: 10.1002/ejhf.2001. Epub 2020 Oct 9." Approved "Arginine Vasopressin, analogs & derivatives; Vasopressin and Analogues; Arginine Vasopressin; Pituitary Hormones, Posterior; Pituitary; Amino Acids, Peptides, and Proteins; Cardiovascular Agents; Nerve Tissue Proteins; Coagulants; Vasoconstrictor Agents; Proteins; Vasoconstriction; Hormones; Antidiuretic Agents; Oligopeptides; Hemostatics; Neuropeptides; Peptides; Natriuretic Agents; Vasopressins; Decreased Diuresis; Peptide Hormones; Hematologic Agents; Pituitary Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" NCCCCC(NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NCC(N)=O.NC1CSSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC2=CC=C(O)C=C2)NC1=O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NCC(N)=O 7387 46505933 D00101 PA451858 DAP000018 Vasopressin CHEMBL373742 11149 DB00068 Interferon beta-1b BE0000661 IFNAR1 P17181 INAR1_HUMAN agonist 10049744; 11752352 "Russell-Harde D, Wagner TC, Perez HD, Croze E: Formation of a uniquely stable type I interferon receptor complex by interferon beta is dependent upon particular interactions between interferon beta and its receptor and independent of tyrosine phosphorylation. Biochem Biophys Res Commun. 1999 Feb 16;255(2):539-44.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Myelosuppressive Agents; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Amino Acids, Peptides, and Proteins; Recombinant Human Interferon beta; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Proteins; Interferons; Biological Factors; Peptides; Cytokines; Interferon-beta; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" 172 46504458 D00746 PA450039 P01574 DAP001283 Interferon_beta-1b CHEMBL1201563 72258 DB00068 Interferon beta-1b BE0000385 IFNAR2 P48551 INAR2_HUMAN agonist 10049744; 11752352 "Russell-Harde D, Wagner TC, Perez HD, Croze E: Formation of a uniquely stable type I interferon receptor complex by interferon beta is dependent upon particular interactions between interferon beta and its receptor and independent of tyrosine phosphorylation. Biochem Biophys Res Commun. 1999 Feb 16;255(2):539-44.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Myelosuppressive Agents; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Amino Acids, Peptides, and Proteins; Recombinant Human Interferon beta; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Proteins; Interferons; Biological Factors; Peptides; Cytokines; Interferon-beta; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" 172 46504458 D00746 PA450039 P01574 DAP001283 Interferon_beta-1b CHEMBL1201563 72258 DB00069 Interferon alfacon-1 BE0000661 IFNAR1 P17181 INAR1_HUMAN binder 17139284; 17016423; 12528473; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Yasuda S, Miyata K: [Interferon alfacon-1 (Advaferon): a novel synthetic interferon for the treatment of hepatitis C, its pharmacological and clinical profile]. Nihon Yakurigaku Zasshi. 2002 Dec;120(6):421-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Myelosuppressive Agents; Antiviral Agents; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Proteins; Interferons; Biological Factors; Peptides; Cytokines; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Interferon alpha; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons" 11856 46505985 PA164749376 DAP001284 Interferon_alfacon-1 CHEMBL1201557 59744 DB00069 Interferon alfacon-1 BE0000385 IFNAR2 P48551 INAR2_HUMAN binder 8836913; 12528473; 11752352 "Blatt LM, Davis JM, Klein SB, Taylor MW: The biologic activity and molecular characterization of a novel synthetic interferon-alpha species, consensus interferon. J Interferon Cytokine Res. 1996 Jul;16(7):489-99.@@Yasuda S, Miyata K: [Interferon alfacon-1 (Advaferon): a novel synthetic interferon for the treatment of hepatitis C, its pharmacological and clinical profile]. Nihon Yakurigaku Zasshi. 2002 Dec;120(6):421-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Myelosuppressive Agents; Antiviral Agents; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Proteins; Interferons; Biological Factors; Peptides; Cytokines; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Interferon alpha; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons" 11856 46505985 PA164749376 DAP001284 Interferon_alfacon-1 CHEMBL1201557 59744 DB00070 Hyaluronidase (ovine) BE0000984 TGFB1 P01137 TGFB1_HUMAN inhibitor 11327694; 7648625; 9435505; 9850732 "Chang NS: Hyaluronidase activation of c-Jun N-terminal kinase is necessary for protection of L929 fibrosarcoma cells from staurosporine-mediated cell death. Biochem Biophys Res Commun. 2001 May 4;283(2):278-86.@@Locci P, Marinucci L, Lilli C, Martinese D, Becchetti E: Transforming growth factor beta 1-hyaluronic acid interaction. Cell Tissue Res. 1995 Aug;281(2):317-24.@@Chang NS: Hyaluronidase enhancement of TNF-mediated cell death is reversed by TGF-beta 1. Am J Physiol. 1997 Dec;273(6 Pt 1):C1987-94.@@Chang NS: Transforming growth factor-beta protection of cancer cells against tumor necrosis factor cytotoxicity is counteracted by hyaluronidase (review). Int J Mol Med. 1998 Dec;2(6):653-9." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Glycoside Hydrolases; Enzymes and Coenzymes; Enzymes 6039 46505087 PA164745713 P38567 Hyaluronidase CHEMBL1201636 486164 DB00071 Insulin pork BE0000033 INSR P06213 INSR_HUMAN binder 12038982; 12970169; 11752352 "Chen LM, Yang XW, Tang JG: Acidic residues on the N-terminus of proinsulin C-Peptide are important for the folding of insulin precursor. J Biochem. 2002 Jun;131(6):855-9.@@Desbuquois B, Chauvet G, Kouach M, Authier F: Cell itinerary and metabolic fate of proinsulin in rat liver: in vivo and in vitro studies. Endocrinology. 2003 Dec;144(12):5308-21. Epub 2003 Sep 11.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Proteins; Insulins and Analogues for Injection, Fast-Acting; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 7326 46508925 PA164781053 Q8HXV2 DAP001089 Insulin 221109 DB00071 Insulin pork BE0000858 IGF1R P08069 IGF1R_HUMAN 17139284; 17016423; 9846170; 9582514; 7476290 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Fottner C, Engelhardt D, Weber MM: Regulation of steroidogenesis by insulin-like growth factors (IGFs) in adult human adrenocortical cells: IGF-I and, more potently, IGF-II preferentially enhance androgen biosynthesis through interaction with the IGF-I receptor and IGF-binding proteins. J Endocrinol. 1998 Sep;158(3):409-17.@@Zhang Q, Berggren PO, Hansson A, Tally M: Insulin-like growth factor-I-induced DNA synthesis in insulin-secreting cell line RINm5F is associated with phosphorylation of the insulin-like growth factor-I receptor and the insulin receptor substrate-2. J Endocrinol. 1998 Mar;156(3):573-81.@@Sowers JR, Jacobs DB, Simpson L, al-Homsi B, Grunberger G, Sokol R: Erythrocyte insulin and insulin-like growth factor-I receptor tyrosine kinase activity in hypertension in pregnancy. Metabolism. 1995 Oct;44(10):1308-13." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Proteins; Insulins and Analogues for Injection, Fast-Acting; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 7326 46508925 PA164781053 Q8HXV2 DAP001089 Insulin 221109 DB00072 Trastuzumab BE0000511 ERBB2 P04626 ERBB2_HUMAN binder 11752352; 18690878; 17660958; 11098307 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Leveque D, Gigou L, Bergerat JP: Clinical pharmacology of trastuzumab. Curr Clin Pharmacol. 2008 Jan;3(1):51-5.@@Lin A, Rugo HS: The role of trastuzumab in early stage breast cancer: current data and treatment recommendations. Curr Treat Options Oncol. 2007 Feb;8(1):47-60.@@Treish I, Schwartz R, Lindley C: Pharmacology and therapeutic use of trastuzumab in breast cancer. Am J Health Syst Pharm. 2000 Nov 15;57(22):2063-76; quiz 2077-9." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "HER2/Neu/cerbB2 Antagonists; Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Cardiotoxic antineoplastic agents; Proteins; Antineoplastic Agents; HER2 Receptor Antagonists; Immunoglobulins; Complex Mixtures; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Biological Products; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; HER2 (Human Epidermal Growth Factor Receptor 2) inhibitors; Narrow Therapeutic Index Drugs; Blood Proteins" Trastuzumab Action Pathway drug_action 11905 46507516 D03257 PA451743 P01857 DAP000391 Trastuzumab CHEMBL1201585 224905 DB00074 Basiliximab BE0000658 IL2RA P01589 IL2RA_HUMAN antibody 12591363; 9695721; 16908318; 10512062; 10567956; 11752352 "Choy BY, Chan TM, Li FK, Lui SL, Lo WK, Yip T, Tse KC, Lai KN: IL2-receptor antagonist (basiliximab) induction therapy is associated with lower morbidity and mortality in renal transplant recipients. Transplant Proc. 2003 Feb;35(1):195.@@Kovarik J, Breidenbach T, Gerbeau C, Korn A, Schmidt AG, Nashan B: Disposition and immunodynamics of basiliximab in liver allograft recipients. Clin Pharmacol Ther. 1998 Jul;64(1):66-72.@@Garcia CD, Bittencourt VB, Tumelero A, Antonello JS, Malheiros D, Garcia VD: Plasmapheresis for recurrent posttransplant focal segmental glomerulosclerosis. Transplant Proc. 2006 Jul-Aug;38(6):1904-5.@@Berard JL, Velez RL, Freeman RB, Tsunoda SM: A review of interleukin-2 receptor antagonists in solid organ transplantation. Pharmacotherapy. 1999 Oct;19(10):1127-37.@@Mentre F, Kovarik J, Gerbeau C: Constructing a prediction interval for time to reach a threshold concentration based on a population pharmacokinetic analysis: an application to basiliximab in renal transplantation. J Pharmacokinet Biopharm. 1999 Apr;27(2):213-30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Interleukin-2 Receptor Antagonist; Immunologic Factors; Immunoproteins; Antibodies, Monoclonal, Humanized; Interleukin 2 Receptor-directed Antibody Interactions; Proteins; Interleukin-2 Receptor Blocking Antibody; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Interleukin Inhibitors" 12027 46505169 PA164747126 P01857 DAP000388 Basiliximab CHEMBL1201439 196102 DB00074 Basiliximab BE0000651 IL2RB P14784 IL2RB_HUMAN antibody 10188761; 10708100; 11840795; 12667677; 12826150; 11752352 "Onrust SV, Wiseman LR: Basiliximab. Drugs. 1999 Feb;57(2):207-13; discussion 214.@@Hausen B, Gummert J, Berry GJ, Christians U, Serkova N, Ikonen T, Hook L, Legay F, Schuler W, Schreier MH, Morris RE: Prevention of acute allograft rejection in nonhuman primate lung transplant recipients: induction with chimeric anti-interleukin-2 receptor monoclonal antibody improves the tolerability and potentiates the immunosuppressive activity of a regimen using low doses of both microemulsion cyclosporine and 40-O-(2-hydroxyethyl)-rapamycin. Transplantation. 2000 Feb 27;69(4):488-96.@@Schmitz K, Hitzer S, Behrens-Baumann W: [Immune suppression by combination therapy with basiliximab and cyclosporin in high risk keratoplasty. A pilot study]. Ophthalmologe. 2002 Jan;99(1):38-45.@@Warle MC, Kwekkeboom J, Tilanus HW, Metselaar HJ: Basiliximab interferes with the detection of soluble IL-2 receptor by the Immulite Immunoassay system. J Immunol Methods. 2003 Apr 1;275(1-2):133-6.@@Emparan C, Laukotter M, Wolters H, Dame C, Heidenreich S, Senninger N: Calcineurin-free protocols with basiliximab induction allow patients included in ""old to old"" programs achieve standard kidney transplant function. Transplant Proc. 2003 Jun;35(4):1326-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Interleukin-2 Receptor Antagonist; Immunologic Factors; Immunoproteins; Antibodies, Monoclonal, Humanized; Interleukin 2 Receptor-directed Antibody Interactions; Proteins; Interleukin-2 Receptor Blocking Antibody; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Interleukin Inhibitors" 12027 46505169 PA164747126 P01857 DAP000388 Basiliximab CHEMBL1201439 196102 DB00075 Muromonab BE0003456 CD3D P04234 CD3D_HUMAN 2503348; 8861551 "Todd PA, Brogden RN: Muromonab CD3. A review of its pharmacology and therapeutic potential. Drugs. 1989 Jun;37(6):871-99.@@Wilde MI, Goa KL: Muromonab CD3: a reappraisal of its pharmacology and use as prophylaxis of solid organ transplant rejection. Drugs. 1996 May;51(5):865-94." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Immunoproteins; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunoglobulin Isotypes; Immunologic Factors; Decreased Immunologic Activity; CD3-directed Antibody Interactions; Immunoglobulin G; Proteins; Immunoglobulins; CD3 Receptor Antagonists; Selective Immunosuppressants; Antibodies, Monoclonal, Murine-Derived; CD3 Blocker Immunosuppressant; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Blood Proteins" 7680 46507837 D05092 PA164743097 DAP001301 Muromonab-CD3 CHEMBL1201608 42405 DB00075 Muromonab BE0000274 CD3E P07766 CD3E_HUMAN binder 17139284; 17016423; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Immunoproteins; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunoglobulin Isotypes; Immunologic Factors; Decreased Immunologic Activity; CD3-directed Antibody Interactions; Immunoglobulin G; Proteins; Immunoglobulins; CD3 Receptor Antagonists; Selective Immunosuppressants; Antibodies, Monoclonal, Murine-Derived; CD3 Blocker Immunosuppressant; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Blood Proteins" 7680 46507837 D05092 PA164743097 DAP001301 Muromonab-CD3 CHEMBL1201608 42405 DB00075 Muromonab BE0003457 CD3G P09693 CD3G_HUMAN 2503348; 8861551 "Todd PA, Brogden RN: Muromonab CD3. A review of its pharmacology and therapeutic potential. Drugs. 1989 Jun;37(6):871-99.@@Wilde MI, Goa KL: Muromonab CD3: a reappraisal of its pharmacology and use as prophylaxis of solid organ transplant rejection. Drugs. 1996 May;51(5):865-94." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Immunoproteins; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunoglobulin Isotypes; Immunologic Factors; Decreased Immunologic Activity; CD3-directed Antibody Interactions; Immunoglobulin G; Proteins; Immunoglobulins; CD3 Receptor Antagonists; Selective Immunosuppressants; Antibodies, Monoclonal, Murine-Derived; CD3 Blocker Immunosuppressant; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Blood Proteins" 7680 46507837 D05092 PA164743097 DAP001301 Muromonab-CD3 CHEMBL1201608 42405 DB00075 Muromonab BE0003458 CD247 P20963 CD3Z_HUMAN 2503348; 8861551 "Todd PA, Brogden RN: Muromonab CD3. A review of its pharmacology and therapeutic potential. Drugs. 1989 Jun;37(6):871-99.@@Wilde MI, Goa KL: Muromonab CD3: a reappraisal of its pharmacology and use as prophylaxis of solid organ transplant rejection. Drugs. 1996 May;51(5):865-94." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Immunoproteins; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunoglobulin Isotypes; Immunologic Factors; Decreased Immunologic Activity; CD3-directed Antibody Interactions; Immunoglobulin G; Proteins; Immunoglobulins; CD3 Receptor Antagonists; Selective Immunosuppressants; Antibodies, Monoclonal, Murine-Derived; CD3 Blocker Immunosuppressant; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Blood Proteins" 7680 46507837 D05092 PA164743097 DAP001301 Muromonab-CD3 CHEMBL1201608 42405 DB00082 Pegvisomant BE0000075 GHR P10912 GHR_HUMAN antagonist 19820031; 17322491; 11752352; 20595800 "Moller L, Norrelund H, Jessen N, Flyvbjerg A, Pedersen SB, Gaylinn BD, Liu J, Thorner MO, Moller N, Lunde Jorgensen JO: Impact of growth hormone receptor blockade on substrate metabolism during fasting in healthy subjects. J Clin Endocrinol Metab. 2009 Nov;94(11):4524-32. doi: 10.1210/jc.2009-0381. Epub 2009 Oct 9.@@Paisley AN, Hayden K, Ellis A, Anderson J, Wieringa G, Trainer PJ: Pegvisomant interference in GH assays results in underestimation of GH levels. Eur J Endocrinol. 2007 Mar;156(3):315-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@De Martino MC, Auriemma RS, Brevetti G, Vitale G, Schiano V, Galdiero M, Grasso L, Lombardi G, Colao A, Pivonello R: The treatment with growth hormone receptor antagonist in acromegaly: effect on vascular structure and function in patients resistant to somatostatin analogues. J Endocrinol Invest. 2010 Oct;33(9):663-70. doi: 10.3275/7143. Epub 2010 Jul 1." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anterior Pituitary Lobe Hormones and Analogues; Cytochrome P-450 CYP3A4 Inducers; Hormones; Acromegaly; Peptides; Peptide Hormones; Hypoglycemia-Associated Agents; Growth Hormone Receptor Antagonist; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Growth Hormone Receptor Antagonists; Pituitary Hormones, Anterior; Pituitary Hormones; Pegylated agents; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" 16581 46505507 PA164749630 P58756 DAP000286 Pegvisomant CHEMBL1201515 278739 DB00086 Streptokinase BE0000928 F2R P25116 PAR1_HUMAN activator 10666203; 10079109 "McRedmond JP, Harriott P, Walker B, Fitzgerald DJ: Streptokinase-induced platelet activation involves antistreptokinase antibodies and cleavage of protease-activated receptor-1. Blood. 2000 Feb 15;95(4):1301-8.@@Kahn ML, Nakanishi-Matsui M, Shapiro MJ, Ishihara H, Coughlin SR: Protease-activated receptors 1 and 4 mediate activation of human platelets by thrombin. J Clin Invest. 1999 Mar;103(6):879-87." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Cardiovascular Agents; Hydrolases; Proteins; Enzymes; Blood and Blood Forming Organs; Fibrinolytic Agents; Peptide Hydrolases; Streptokinase, antagonists & inhibitors; Hematologic Agents; Blood Proteins; Endopeptidases; Fibrin Modulating Agents" Streptokinase Action Pathway drug_action 5991 46505625 PA164754919 P00779 DAP001198 Streptokinase CHEMBL2108147 10106 DB00087 Alemtuzumab BE0000710 FCGR1A P12314 FCGR1_HUMAN binder 23543215 "White AL, Chan HT, French RR, Beers SA, Cragg MS, Johnson PW, Glennie MJ: FcgammaRIotaIotaB controls the potency of agonistic anti-TNFR mAbs. Cancer Immunol Immunother. 2013 May;62(5):941-8. doi: 10.1007/s00262-013-1398-6. Epub 2013 Mar 31." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Myelosuppressive Agents; Serum Globulins; Cancer immunotherapy; CD52-directed Cytolytic Antibody; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Proteins; Antineoplastic Agents; Immunoglobulins; CD52-directed Antibody Interactions; Selective Immunosuppressants; Antineoplastic Agents, Immunological; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Narrow Therapeutic Index Drugs; Blood Proteins" 12491 46507379 PA164783958 DAP000385 Alemtuzumab CHEMBL1201587 117055 DB00089 Capromab pendetide BE0000568 FOLH1 Q04609 FOLH1_HUMAN other/unknown 11016653; 15882479; 9508077; 9792131; 11752352 "Smith-Jones PM, Vallabahajosula S, Goldsmith SJ, Navarro V, Hunter CJ, Bastidas D, Bander NH: In vitro characterization of radiolabeled monoclonal antibodies specific for the extracellular domain of prostate-specific membrane antigen. Cancer Res. 2000 Sep 15;60(18):5237-43.@@Sodee DB, Nelson AD, Faulhaber PF, Maclennan GT, Resnick MI, Bakale G: Update on fused capromab pendetide imaging of prostate cancer. Clin Prostate Cancer. 2005 Mar;3(4):230-8.@@Gregorakis AK, Holmes EH, Murphy GP: Prostate-specific membrane antigen: current and future utility. Semin Urol Oncol. 1998 Feb;16(1):2-12.@@Sodee DB, Ellis RJ, Samuels MA, Spirnak JP, Poole WF, Riester C, Martanovic DM, Stonecipher R, Bellon EM: Prostate cancer and prostate bed SPECT imaging with ProstaScint: semiquantitative correlation with prostatic biopsy results. Prostate. 1998 Nov 1;37(3):140-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Indicators and Reagents; Diagnostic Radiopharmaceuticals; Immunoglobulins; Serum Globulins; Prostatic Neoplasms; Indium (111In) Compounds; Immunoproteins; Tumour Detection; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Indium Radioisotopes; Laboratory Chemicals; Compounds used in a research, industrial, or household setting" 20500 46506263 PA164745489 DAP001049 Indium_(111In)_capromab_pendetide CHEMBL2108285 136300 DB00091 Cyclosporine BE0001014 PPIA P62937 PPIA_HUMAN inhibitor 17461417; 17609268; 20637127; 20368803 "Redell JB, Zhao J, Dash PK: Acutely increased cyclophilin a expression after brain injury: a role in blood-brain barrier function and tissue preservation. J Neurosci Res. 2007 Jul;85(9):1980-8.@@Schaller T, Ylinen LM, Webb BL, Singh S, Towers GJ: Fusion of cyclophilin A to Fv1 enables cyclosporine-sensitive restriction of human and feline immunodeficiency viruses. J Virol. 2007 Sep;81(18):10055-63. Epub 2007 Jul 3.@@Lee J, Kim SS: Current implications of cyclophilins in human cancers. J Exp Clin Cancer Res. 2010 Jul 19;29:97. doi: 10.1186/1756-9966-29-97.@@Stegmann CM, Luhrmann R, Wahl MC: The crystal structure of PPIL1 bound to cyclosporine A suggests a binding mode for a linear epitope of the SKIP protein. PLoS One. 2010 Apr 2;5(4):e10013. doi: 10.1371/journal.pone.0010013." Approved; Investigational; Vet_approved Cyclosporins Organic compounds; Organic acids and derivatives; Peptidomimetics; Peptoid-peptide hybrids "Calcineurin Inhibitor Immunosuppressant; Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Agents that produce neuromuscular block (indirect); Peptides, Cyclic; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Nephrotoxic agents; Dermatologicals; OAT1/SLC22A6 inhibitors; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Amino Acids, Peptides, and Proteins; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Immunologic Factors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Agents that reduce seizure threshold; Peptides; OAT1/SLC22A6 Substrates; NTCP Inhibitors; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; BSEP/ABCB11 Substrates; Immunosuppressive Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Ophthalmologicals; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Calcineurin Inhibitors; Narrow Therapeutic Index Drugs; Antirheumatic Agents; Cyclosporins" CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C 13144 46508198 D00184 PA449167 DNC001177 Ciclosporin CHEMBL160 3008 DB00092 Alefacept BE0000719 CD2 P06729 CD2_HUMAN inhibitor 17555598; 11970990; 17403057; 14968366; 12795770; 11752352; 33807678 "Chamian F, Lin SL, Lee E, Kikuchi T, Gilleaudeau P, Sullivan-Whalen M, Cardinale I, Khatcherian A, Novitskaya I, Wittkowski KM, Krueger JG, Lowes MA: Alefacept (anti-CD2) causes a selective reduction in circulating effector memory T cells (Tem) and relative preservation of central memory T cells (Tcm) in psoriasis. J Transl Med. 2007 Jun 7;5:27.@@da Silva AJ, Brickelmaier M, Majeau GR, Li Z, Su L, Hsu YM, Hochman PS: Alefacept, an immunomodulatory recombinant LFA-3/IgG1 fusion protein, induces CD16 signaling and CD2/CD16-dependent apoptosis of CD2(+) cells. J Immunol. 2002 May 1;168(9):4462-71.@@Larsen R, Ryder LP, Svejgaard A, Gniadecki R: Changes in circulating lymphocyte subpopulations following administration of the leucocyte function-associated antigen-3 (LFA-3)/IgG1 fusion protein alefacept. Clin Exp Immunol. 2007 Jul;149(1):23-30. Epub 2007 Apr 2.@@Goedkoop AY, de Rie MA, Picavet DI, Kraan MC, Dinant HJ, van Kuijk AW, Tak PP, Bos JD, Teunissen MB: Alefacept therapy reduces the effector T-cell population in lesional psoriatic epidermis. Arch Dermatol Res. 2004 Apr;295(11):465-73. Epub 2004 Feb 14.@@Ortonne JP: Clinical response to alefacept: results of a phase 3 study of intramuscular administration of alefacept in patients with chronic plaque psoriasis. J Eur Acad Dermatol Venereol. 2003 Jul;17 Suppl 2:12-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186." Approved; Investigational; Withdrawn Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Membrane Glycoproteins; Serum Globulins; Carbohydrates; Immunoproteins; Dermatologicals; Globulins; Amino Acids, Peptides, and Proteins; Glycoproteins; Antibodies; Immunoglobulin Isotypes; Immunologic Factors; CD58 Antigens; Proteins; Glycoconjugates; Recombinant Fusion Proteins; Membrane Proteins; CD2-directed LFA-3/Fc Fusion Protein; Selective Immunosuppressants; Recombinant Proteins; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; CD2-directed Antibody Interactions; Blood Proteins" 12559 46505772 PA164748040 DAP000540 Alefacept CHEMBL1201571 299635 DB00093 Felypressin BE0000165 AVPR1A P37288 V1AR_HUMAN agonist 17139284; 17016423; 18655903; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Manning M, Stoev S, Chini B, Durroux T, Mouillac B, Guillon G: Peptide and non-peptide agonists and antagonists for the vasopressin and oxytocin V1a, V1b, V2 and OT receptors: research tools and potential therapeutic agents. Prog Brain Res. 2008;170:473-512. doi: 10.1016/S0079-6123(08)00437-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Cardiovascular Agents; Vasopressins; Peptide Hormones; Vasopressin and Analogues; Oligopeptides; Nerve Tissue Proteins; Neuropeptides; Peptides; Pituitary Hormones, Posterior; Vasoconstrictor Agents; Proteins; Pituitary Hormones; Amino Acids, Peptides, and Proteins; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 46507522 PA164744374 DAP000217 Felypressin CHEMBL3185126 4319 DB00095 Efalizumab BE0000516 ITGAL P20701 ITAL_HUMAN antibody 19170413; 17053736; 11752352; 15799683 "Frampton JE, Plosker GL: Efalizumab: a review of its use in the management of chronic moderate-to-severe plaque psoriasis. Am J Clin Dermatol. 2009;10(1):51-72. doi: 10.2165/0128071-200910010-00009.@@Descamps V: [Efalizumab]. Ann Dermatol Venereol. 2006 Aug-Sep;133(8-9 Pt 1):666-78.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Wellington K, Perry CM: Efalizumab. Am J Clin Dermatol. 2005;6(2):113-8; discussion 119-20. doi: 10.2165/00128071-200506020-00006." Approved; Investigational; Withdrawn Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Antigens, CD11; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Proteins; Immunoglobulins; Selective Immunosuppressants; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; CD11a-directed Antibody Interactions; CD11a-directed Humanized IgG1 Antibody; Blood Proteins" 13093 46505252 PA164748817 DAP001095 Efalizumab CHEMBL1201575 356988 DB00097 Choriogonadotropin alfa BE0000134 LHCGR P22888 LSHR_HUMAN 15967102; 12606382; 17059863 "Bodek G, Vierre S, Rivero-Muller A, Huhtaniemi I, Ziecik AJ, Rahman NA: A novel targeted therapy of Leydig and granulosa cell tumors through the luteinizing hormone receptor using a hecate-chorionic gonadotropin beta conjugate in transgenic mice. Neoplasia. 2005 May;7(5):497-508.@@Gromoll J, Wistuba J, Terwort N, Godmann M, Muller T, Simoni M: A new subclass of the luteinizing hormone/chorionic gonadotropin receptor lacking exon 10 messenger RNA in the New World monkey (Platyrrhini) lineage. Biol Reprod. 2003 Jul;69(1):75-80. Epub 2003 Feb 19.@@Lin W, Bernard MP, Cao D, Myers RV, Kerrigan JE, Moyle WR: Follitropin receptors contain cryptic ligand binding sites. Mol Cell Endocrinol. 2007 Jan 2;260-262:83-92. Epub 2006 Oct 23." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Gonadotropins; Gonadotropins and Antigonadotropins; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones 14798 46506863 PA164783947 P01233 DAP001030 Human_chorionic_gonadotropin CHEMBL1201464 283550 DB00098 Antithymocyte immunoglobulin (rabbit) BE0000516 ITGAL P20701 ITAL_HUMAN 12586600 "Monti P, Allavena P, Di Carlo V, Piemonti L: Effects of anti-lymphocytes and anti-thymocytes globulin on human dendritic cells. Int Immunopharmacol. 2003 Feb;3(2):189-96." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Blood; Immune Sera; Serum Globulins; Immunoproteins; Increased T Lymphocyte Destruction; Antibody-Surface Protein Interactions; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Miscellaneous Therapeutic Agents; Immunologic Factors; Fluids and Secretions; Immunoglobulin G; Proteins; Lymphocyte Function Alteration; Immunoglobulins; Complex Mixtures; Selective Immunosuppressants; Biological Products; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Serum; Blood Proteins; Body Fluids" 12118 46506920 PA164743704 DAP001300 Anti-thymocyte_globulin 107044 DB00098 Antithymocyte immunoglobulin (rabbit) BE0003488 CD4 P01730 CD4_HUMAN 12586600 "Monti P, Allavena P, Di Carlo V, Piemonti L: Effects of anti-lymphocytes and anti-thymocytes globulin on human dendritic cells. Int Immunopharmacol. 2003 Feb;3(2):189-96." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Blood; Immune Sera; Serum Globulins; Immunoproteins; Increased T Lymphocyte Destruction; Antibody-Surface Protein Interactions; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Miscellaneous Therapeutic Agents; Immunologic Factors; Fluids and Secretions; Immunoglobulin G; Proteins; Lymphocyte Function Alteration; Immunoglobulins; Complex Mixtures; Selective Immunosuppressants; Biological Products; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Serum; Blood Proteins; Body Fluids" 12118 46506920 PA164743704 DAP001300 Anti-thymocyte_globulin 107044 DB00098 Antithymocyte immunoglobulin (rabbit) BE0003575 ITGB1 P05556 ITB1_HUMAN 12586600 "Monti P, Allavena P, Di Carlo V, Piemonti L: Effects of anti-lymphocytes and anti-thymocytes globulin on human dendritic cells. Int Immunopharmacol. 2003 Feb;3(2):189-96." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Blood; Immune Sera; Serum Globulins; Immunoproteins; Increased T Lymphocyte Destruction; Antibody-Surface Protein Interactions; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Miscellaneous Therapeutic Agents; Immunologic Factors; Fluids and Secretions; Immunoglobulin G; Proteins; Lymphocyte Function Alteration; Immunoglobulins; Complex Mixtures; Selective Immunosuppressants; Biological Products; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Serum; Blood Proteins; Body Fluids" 12118 46506920 PA164743704 DAP001300 Anti-thymocyte_globulin 107044 DB00098 Antithymocyte immunoglobulin (rabbit) BE0003576 ITGAV P06756 ITAV_HUMAN 12586600 "Monti P, Allavena P, Di Carlo V, Piemonti L: Effects of anti-lymphocytes and anti-thymocytes globulin on human dendritic cells. Int Immunopharmacol. 2003 Feb;3(2):189-96." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Blood; Immune Sera; Serum Globulins; Immunoproteins; Increased T Lymphocyte Destruction; Antibody-Surface Protein Interactions; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Miscellaneous Therapeutic Agents; Immunologic Factors; Fluids and Secretions; Immunoglobulin G; Proteins; Lymphocyte Function Alteration; Immunoglobulins; Complex Mixtures; Selective Immunosuppressants; Biological Products; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Serum; Blood Proteins; Body Fluids" 12118 46506920 PA164743704 DAP001300 Anti-thymocyte_globulin 107044 DB00099 Filgrastim BE0000793 CSF3R Q99062 CSF3R_HUMAN stimulator 17001306; 17494858; 15949269; 17127322; 16033816 "Erkeland SJ, Aarts LH, Irandoust M, Roovers O, Klomp A, Valkhof M, Gits J, Eyckerman S, Tavernier J, Touw IP: Novel role of WD40 and SOCS box protein-2 in steady-state distribution of granulocyte colony-stimulating factor receptor and G-CSF-controlled proliferation and differentiation signaling. Oncogene. 2007 Mar 29;26(14):1985-94. Epub 2006 Sep 25.@@Link DC, Kunter G, Kasai Y, Zhao Y, Miner T, McLellan MD, Ries RE, Kapur D, Nagarajan R, Dale DC, Bolyard AA, Boxer LA, Welte K, Zeidler C, Donadieu J, Bellanne-Chantelot C, Vardiman JW, Caligiuri MA, Bloomfield CD, DiPersio JF, Tomasson MH, Graubert TA, Westervelt P, Watson M, Shannon W, Baty J, Mardis ER, Wilson RK, Ley TJ: Distinct patterns of mutations occurring in de novo AML versus AML arising in the setting of severe congenital neutropenia. Blood. 2007 Sep 1;110(5):1648-55. Epub 2007 May 9.@@Cao YR, Shao ZH, Liu H, Shi J, Bai J, Tu MF, Wang HQ, Xing LM, Cui ZZ, Sun J, Jia HR, Yang TY: [The response of bone marrow hematopoietic cells to G-CSF in paroxysmal nocturnal hemoglobinuria patients]. Zhonghua Xue Ye Xue Za Zhi. 2005 Apr;26(4):235-8.@@Ward AC: The role of the granulocyte colony-stimulating factor receptor (G-CSF-R) in disease. Front Biosci. 2007 Jan 1;12:608-18.@@Zhuang D, Qiu Y, Haque SJ, Dong F: Tyrosine 729 of the G-CSF receptor controls the duration of receptor signaling: involvement of SOCS3 and SOCS1. J Leukoc Biol. 2005 Oct;78(4):1008-15. Epub 2005 Jul 20." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antineoplastic and Immunomodulating Agents; Colony-Stimulating Factors; Biological Factors; Granulocyte Colony-Stimulating Factors; Hematologic Agents; Peptides; Increased Myeloid Cell Production; Leukocyte Growth Factor; Proteins; Glycoconjugates; Amino Acids, Peptides, and Proteins; Hematopoietic Cell Growth Factors; Glycoproteins" 23013 46505833 D03235 PA449626 P09919 DAP000113 Filgrastim CHEMBL1201567 1433764 DB00100 Coagulation Factor IX (Recombinant) BE0000216 F10 P00742 FA10_HUMAN activator 1391956; 8083242; 9079657; 10933803; 10919405; 11752352; 659613 "Worfolk LA, Robinson RA, Tracy PB: Factor Xa interacts with two sites on monocytes with different functional activities. Blood. 1992 Oct 15;80(8):1989-97.@@Jones KC, Mann KG: A model for the tissue factor pathway to thrombin. II. A mathematical simulation. J Biol Chem. 1994 Sep 16;269(37):23367-73.@@Ambrosini G, Plescia J, Chu KC, High KA, Altieri DC: Activation-dependent exposure of the inter-EGF sequence Leu83-Leu88 in factor Xa mediates ligand binding to effector cell protease receptor-1. J Biol Chem. 1997 Mar 28;272(13):8340-5.@@London FS, Walsh PN: Zymogen factor IX potentiates factor IXa-catalyzed factor X activation. Biochemistry. 2000 Aug 15;39(32):9850-8.@@Scandella DH: Properties of anti-factor VIII inhibitor antibodies in hemophilia A patients. Semin Thromb Hemost. 2000;26(2):137-42.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Di Scipio RG, Kurachi K, Davie EW: Activation of human factor IX (Christmas factor). J Clin Invest. 1978 Jun;61(6):1528-38." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Increased Coagulation Activity; Blood Coagulation Factors; Hemostatics 22522 46508858 PA164744952 P00740 DAP000964 Factor_IX 1300488 DB00100 Coagulation Factor IX (Recombinant) BE0001021 F11 P03951 FA11_HUMAN ligand 10593931; 11342438; 659613 "Sun MF, Zhao M, Gailani D: Identification of amino acids in the factor XI apple 3 domain required for activation of factor IX. J Biol Chem. 1999 Dec 17;274(51):36373-8.@@Gailani D, Ho D, Sun MF, Cheng Q, Walsh PN: Model for a factor IX activation complex on blood platelets: dimeric conformation of factor XIa is essential. Blood. 2001 May 15;97(10):3117-22.@@Di Scipio RG, Kurachi K, Davie EW: Activation of human factor IX (Christmas factor). J Clin Invest. 1978 Jun;61(6):1528-38." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Increased Coagulation Activity; Blood Coagulation Factors; Hemostatics 22522 46508858 PA164744952 P00740 DAP000964 Factor_IX 1300488 DB00100 Coagulation Factor IX (Recombinant) BE0000333 F7 P08709 FA7_HUMAN ligand 10192655; 10381508; 10498586; 10617609; 10938981; 659613 "Baker DC, Robbe SL, Jacobson L, Manco-Johnson MJ, Holler L, Lefkowitz J: Hereditary deficiency of vitamin-K-dependent coagulation factors in Rambouillet sheep. Blood Coagul Fibrinolysis. 1999 Mar;10(2):75-80.@@Hertzberg MS, Facey SL, Hogg PJ: An Arg/Ser substitution in the second epidermal growth factor-like module of factor IX introduces an O-linked carbohydrate and markedly impairs activation by factor XIa and factor VIIa/Tissue factor and catalytic efficiency of factor IXa. Blood. 1999 Jul 1;94(1):156-63.@@Butenas S, van't Veer C, Mann KG: ""Normal"" thrombin generation. Blood. 1999 Oct 1;94(7):2169-78.@@Celie PH, Lenting PJ, Mertens K: Hydrophobic contact between the two epidermal growth factor-like domains of blood coagulation factor IX contributes to enzymatic activity. J Biol Chem. 2000 Jan 7;275(1):229-34.@@Shord SS, Lindley CM: Coagulation products and their uses. Am J Health Syst Pharm. 2000 Aug 1;57(15):1403-17; quiz 1418-20.@@Di Scipio RG, Kurachi K, Davie EW: Activation of human factor IX (Christmas factor). J Clin Invest. 1978 Jun;61(6):1528-38." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Increased Coagulation Activity; Blood Coagulation Factors; Hemostatics 22522 46508858 PA164744952 P00740 DAP000964 Factor_IX 1300488 DB00100 Coagulation Factor IX (Recombinant) BE0000016 F8 P00451 FA8_HUMAN cofactor 11150722; 12719776; 12826528; 14598591; 16476097; 659613 "Neels JG, Bovenschen N, van Zonneveld AJ, Lenting PJ: Interaction between factor VIII and LDL receptor-related protein. Modulation of coagulation? Trends Cardiovasc Med. 2000 Jan;10(1):8-14.@@Carr ME Jr, Martin EJ, Kuhn JG, Seremetis SV: Effects of recombinant factor VIIa on platelet function and clot structure in blood with deficient prothrombin conversion. Thromb Haemost. 2003 May;89(5):803-11.@@Federici AB: The factor VIII/von Willebrand factor complex: basic and clinical issues. Haematologica. 2003 Jun;88(6):EREP02.@@Kalashnikova LA, Berkovskii AL, Dobrynina LA, Sergeeva EV, Kozlov AA, Aleksandrova EN, Nasonov EL: [Clotting factor VIII in Sneddon syndrome]. Klin Med (Mosk). 2003;81(9):42-5.@@Johansen RF, Sorensen B, Ingerslev J: Acquired haemophilia: dynamic whole blood coagulation utilized to guide haemostatic therapy. Haemophilia. 2006 Mar;12(2):190-7.@@Di Scipio RG, Kurachi K, Davie EW: Activation of human factor IX (Christmas factor). J Clin Invest. 1978 Jun;61(6):1528-38." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Increased Coagulation Activity; Blood Coagulation Factors; Hemostatics 22522 46508858 PA164744952 P00740 DAP000964 Factor_IX 1300488 DB00100 Coagulation Factor IX (Recombinant) BE0002110 LRP1 Q07954 LRP1_HUMAN 17139284; 17016423; 12522212 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Rohlena J, Kolkman JA, Boertjes RC, Mertens K, Lenting PJ: Residues Phe342-Asn346 of activated coagulation factor IX contribute to the interaction with low density lipoprotein receptor-related protein. J Biol Chem. 2003 Mar 14;278(11):9394-401. Epub 2003 Jan 9." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Increased Coagulation Activity; Blood Coagulation Factors; Hemostatics 22522 46508858 PA164744952 P00740 DAP000964 Factor_IX 1300488 DB00102 Becaplermin BE0000910 A2M P01023 A2MG_HUMAN 1697862; 7541796 "Lizonova A, Bizik J, Grofova M, Vaheri A: Coexpression of tumor-associated alpha 2-macroglobulin and growth factors in human melanoma cell lines. J Cell Biochem. 1990 Aug;43(4):315-25.@@Bonner JC, Osornio-Vargas AR: Differential binding and regulation of platelet-derived growth factor A and B chain isoforms by alpha 2-macroglobulin. J Biol Chem. 1995 Jul 7;270(27):16236-42." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Intercellular Signaling Peptides and Proteins; Acids; Growth Substances; Dermatologicals; DNA-Binding Proteins; Amino Acids, Peptides, and Proteins; Phosphorus Acids; Human Platelet-derived Growth Factor; Proto-Oncogene Proteins c-sis; Platelet-Derived Growth Factor; Phosphorus Compounds; Angiogenesis Modulating Agents; Phosphoric Acids; Proteins; Neoplasm Proteins; Cicatrizants; Stomatological Preparations; Alimentary Tract and Metabolism; Angiogenesis Inducing Agents; Oncogene Proteins; Biological Factors; Peptides; Preparations for Treatment of Wounds and Ulcers; Hematologic Agents; Blood Proteins; Proto-Oncogene Proteins; Acids, Noncarboxylic" 11832 46508246 PA164749511 P01127 DAP000028 Becaplermin CHEMBL1201556 115238 DB00105 Interferon alfa-2b BE0000385 IFNAR2 P48551 INAR2_HUMAN binder 17139284; 17016423; 7584665; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Eid P, Tovey MG: Characterization of a domain of a human type I interferon receptor protein involved in ligand binding. J Interferon Cytokine Res. 1995 Mar;15(3):205-11.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Myelosuppressive Agents; Antiviral Agents; Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Interferon-alpha; Amino Acids, Peptides, and Proteins; Immunotherapy; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; Proteins; Interferons; Antineoplastic Agents; Biological Factors; Hepatotoxic Agents; Drugs causing inadvertant photosensitivity; Peptides; Cytokines; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Interferon alpha; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons" 1751 46507075 PA164783990 P01563 DAP001285 Interferon_alfa-2b 5880 DB00105 Interferon alfa-2b BE0000661 IFNAR1 P17181 INAR1_HUMAN binder 17139284; 17016423; 10567921; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Khine AA, Lingwood CA: Functional significance of globotriaosyl ceramide in interferon-alpha(2)/type 1 interferon receptor-mediated antiviral activity. J Cell Physiol. 2000 Jan;182(1):97-108.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Myelosuppressive Agents; Antiviral Agents; Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Interferon-alpha; Amino Acids, Peptides, and Proteins; Immunotherapy; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; Proteins; Interferons; Antineoplastic Agents; Biological Factors; Hepatotoxic Agents; Drugs causing inadvertant photosensitivity; Peptides; Cytokines; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Interferon alpha; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons" 1751 46507075 PA164783990 P01563 DAP001285 Interferon_alfa-2b 5880 DB00106 Abarelix BE0000203 GNRHR P30968 GNRHR_HUMAN antagonist 16985933 Debruyne FM: Gonadotropin-releasing hormone antagonist in the management of prostate cancer. Rev Urol. 2004;6 Suppl 7:S25-32. Approved; Investigational; Withdrawn Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Peptides; Hormone Antagonists; Hormone Antagonists and Related Agents; Amino Acids, Peptides, and Proteins; Hormones, Hormone Substitutes, and Hormone Antagonists" CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O 46508237 D02738 PA164754915 DAP000094 Abarelix CHEMBL1252 301739 DB00108 Natalizumab BE0000590 ITGA4 P13612 ITA4_HUMAN antibody 16268663; 16634035; 17461891; 9389694; 11752352 "Sheremata WA, Minagar A, Alexander JS, Vollmer T: The role of alpha-4 integrin in the aetiology of multiple sclerosis: current knowledge and therapeutic implications. CNS Drugs. 2005;19(11):909-22.@@Niino M, Bodner C, Simard ML, Alatab S, Gano D, Kim HJ, Trigueiro M, Racicot D, Guerette C, Antel JP, Fournier A, Grand'Maison F, Bar-Or A: Natalizumab effects on immune cell responses in multiple sclerosis. Ann Neurol. 2006 May;59(5):748-54.@@Stuve O, Bennett JL: Pharmacological properties, toxicology and scientific rationale for the use of natalizumab (Tysabri) in inflammatory diseases. CNS Drug Rev. 2007 Spring;13(1):79-95.@@Craddock CF, Nakamoto B, Andrews RG, Priestley GV, Papayannopoulou T: Antibodies to VLA4 integrin mobilize long-term repopulating cells and augment cytokine-induced mobilization in primates and mice. Blood. 1997 Dec 15;90(12):4779-88.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Immunomodulatory Agents; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Integrin Receptor Antagonist; Multiple Sclerosis; Serum Globulins; Immunologic Factors; Immunoproteins; Selective Immunosuppressants; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 12577 46505849 PA164747191 DAP001094 Natalizumab CHEMBL1201607 354770 DB00108 Natalizumab BE0000710 FCGR1A P12314 FCGR1_HUMAN ligand 31002172 "Dudek S, Weissmuller S, Anzaghe M, Miller L, Sterr S, Hoffmann K, Hengel H, Waibler Z: Human Fcgamma receptors compete for TGN1412 binding that determines the antibody's effector function. Eur J Immunol. 2019 Jul;49(7):1117-1126. doi: 10.1002/eji.201847924. Epub 2019 Apr 29." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Immunomodulatory Agents; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Integrin Receptor Antagonist; Multiple Sclerosis; Serum Globulins; Immunologic Factors; Immunoproteins; Selective Immunosuppressants; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 12577 46505849 PA164747191 DAP001094 Natalizumab CHEMBL1201607 354770 DB00108 Natalizumab BE0001085 ICAM1 P05362 ICAM1_HUMAN ligand 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Immunomodulatory Agents; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Integrin Receptor Antagonist; Multiple Sclerosis; Serum Globulins; Immunologic Factors; Immunoproteins; Selective Immunosuppressants; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 12577 46505849 PA164747191 DAP001094 Natalizumab CHEMBL1201607 354770 DB00110 Palivizumab BE0000710 FCGR1A P12314 FCGR1_HUMAN 24711420 "Hiatt A, Bohorova N, Bohorov O, Goodman C, Kim D, Pauly MH, Velasco J, Whaley KJ, Piedra PA, Gilbert BE, Zeitlin L: Glycan variants of a respiratory syncytial virus antibody with enhanced effector function and in vivo efficacy. Proc Natl Acad Sci U S A. 2014 Apr 22;111(16):5992-7. doi: 10.1073/pnas.1402458111. Epub 2014 Apr 7." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Antiviral Agents; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Antiinfectives for Systemic Use; Amino Acids, Peptides, and Proteins; Antibodies; Proteins; Immunoglobulins; Fusion Protein Inhibitors; Immune Sera and Immunoglobulins; Anti-Infective Agents; Respiratory Syncytial Virus Anti-F Protein Monoclonal Antibody; Antiviral monoclonal antibodies; Blood Proteins; Specific Immunoglobulins" 12770 46506637 PA164748781 DAP000386 Palivizumab CHEMBL1201586 194279 DB00111 Daclizumab BE0000658 IL2RA P01589 IL2RA_HUMAN antibody 16304857; 10607689; 16908318; 8600944; 17564638; 19788505; 11752352 "Shamsi TS, Irfan M, Farzana T, Ansari SH, Ahmad G, Shakoor N, Baig MI: Allogeneic peripheral blood stem cell transplant (PBSCT) using anti-IL2 receptor antibody Daclizumab for the prevention of acute graft versus host disease in steroid refractory Diamond Blackfan anaemia: a case report. J Pak Med Assoc. 2005 Oct;55(10):454-5.@@Przepiorka D, Kernan NA, Ippoliti C, Papadopoulos EB, Giralt S, Khouri I, Lu JG, Gajewski J, Durett A, Cleary K, Champlin R, Andersson BS, Light S: Daclizumab, a humanized anti-interleukin-2 receptor alpha chain antibody, for treatment of acute graft-versus-host disease. Blood. 2000 Jan 1;95(1):83-9.@@Garcia CD, Bittencourt VB, Tumelero A, Antonello JS, Malheiros D, Garcia VD: Plasmapheresis for recurrent posttransplant focal segmental glomerulosclerosis. Transplant Proc. 2006 Jul-Aug;38(6):1904-5.@@Krouwels FH, van der Heijden JF, Lutter R, van Neerven RJ, Jansen HM, Out TA: Glucocorticosteroids affect functions of airway- and blood-derived human T-cell clones, favoring the Th1 profile through two mechanisms. Am J Respir Cell Mol Biol. 1996 Apr;14(4):388-97.@@Patlolla V, Zhong X, Reed GW, Mandelbrot DA: Efficacy of anti-IL-2 receptor antibodies compared to no induction and to antilymphocyte antibodies in renal transplantation. Am J Transplant. 2007 Jul;7(7):1832-42.@@Monti P, Brigatti C, Heninger AK, Scirpoli M, Bonifacio E: Disengaging the IL-2 receptor with daclizumab enhances IL-7-mediated proliferation of CD4(+) and CD8(+) T cells. Am J Transplant. 2009 Dec;9(12):2727-35. doi: 10.1111/j.1600-6143.2009.02825.x. Epub 2009 Sep 25.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Investigational; Withdrawn Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Immunomodulatory Agents; Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Interleukin Inhibitors; Antibodies; Immunotherapy; Immunologic Factors; Interleukin 2 Receptor-directed Antibody Interactions; Proteins; Immunoglobulins; Interleukin-2 Receptor Antagonist; Interleukin-2 Receptor Blocking Antibody; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Blood Proteins" 22834 46504469 D03639 PA164764446 P01857 DAP000389 Daclizumab CHEMBL1201605 190353 DB00111 Daclizumab BE0000651 IL2RB P14784 IL2RB_HUMAN antibody 12372041; 15022409; 15814281; 2571203; 2647626; 11752352 "Light JA, Sasaki TM, Ghasemian R, Barhyte DY, Fowlkes DL: Daclizumab induction/tacrolimus sparing: a randomized prospective trial in renal transplantation. Clin Transplant. 2002;16 Suppl 7:30-3.@@Aguillon JC, Contreras J, Dotte A, Cruzat A, Catalan D, Salazar L, Molina MC, Guerrero J, Lopez M, Soto L, Salazar-Onfray F, Cuchacovich M: [New immunological weapons for medicine in the 21st Century: biological therapy based on the use of the latest generation monoclonal antibodies]. Rev Med Chil. 2003 Dec;131(12):1445-53.@@Forrest K, Logan B, Strange J, Roszman TL, Goebel J: Daclizumab therapy in kidney transplantation-different mechanisms of action in- versus ex-vivo? Transpl Immunol. 2005 Mar;14(1):43-7. Epub 2005 Jan 4.@@Ramos EL, Milford EL, Kirkman RL, Tilney NL, Strom TB, Shapiro ME, Waldmann TA, Wood IG, Rollins MR, Carpenter CB: Differential IL-2 receptor expression in renal allograft recipients treated with an anti-IL-2-receptor antibody. Transplantation. 1989 Sep;48(3):415-20.@@Burkhardt K, Mandel TE, Diamantstein T, Loughnan MS: Anti-IL-2 receptor monoclonal antibody AMT-13 increases soluble IL-2 receptor levels in vivo. Immunology. 1989 Feb;66(2):183-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Investigational; Withdrawn Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Immunomodulatory Agents; Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Interleukin Inhibitors; Antibodies; Immunotherapy; Immunologic Factors; Interleukin 2 Receptor-directed Antibody Interactions; Proteins; Immunoglobulins; Interleukin-2 Receptor Antagonist; Interleukin-2 Receptor Blocking Antibody; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Blood Proteins" 22834 46504469 D03639 PA164764446 P01857 DAP000389 Daclizumab CHEMBL1201605 190353 DB00111 Daclizumab BE0000710 FCGR1A P12314 FCGR1_HUMAN 1828823 "Simms HH, Gaither TA, Fries LF, Frank MM: Monokines released during short-term Fc gamma receptor phagocytosis up-regulate polymorphonuclear leukocytes and monocyte-phagocytic function. J Immunol. 1991 Jul 1;147(1):265-72." Investigational; Withdrawn Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Immunomodulatory Agents; Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Interleukin Inhibitors; Antibodies; Immunotherapy; Immunologic Factors; Interleukin 2 Receptor-directed Antibody Interactions; Proteins; Immunoglobulins; Interleukin-2 Receptor Antagonist; Interleukin-2 Receptor Blocking Antibody; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Blood Proteins" 22834 46504469 D03639 PA164764446 P01857 DAP000389 Daclizumab CHEMBL1201605 190353 DB00112 Bevacizumab BE0000710 FCGR1A P12314 FCGR1_HUMAN 15886877 "Wang Y, Fei D, Vanderlaan M, Song A: Biological activity of bevacizumab, a humanized anti-VEGF antibody in vitro. Angiogenesis. 2004;7(4):335-45. doi: 10.1007/s10456-004-8272-2. Epub 2005 May 9." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Angiogenesis Inhibitors; Antibodies, Monoclonal, Humanized; VEGF/VEGFR (Vascular Endothelial Growth Factor) inhibitors; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Vascular Endothelial Growth Factor-directed Antibody Interactions; Immunotherapy; Experimental Unapproved Treatments for COVID-19; Cardiotoxic antineoplastic agents; Angiogenesis Modulating Agents; Vascular Endothelial Growth Factor Inhibitor; Proteins; Vascular Endothelial Growth Factor Inhibitors; Antineoplastic Agents; Ocular Vascular Disorder Agents; Growth Inhibitors; Immunoglobulins; Antineoplastic Agents, Immunological; Antineovascularisation Agents; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Ophthalmologicals; Narrow Therapeutic Index Drugs; Blood Proteins; Sensory Organs" Bevacizumab Action Pathway drug_action 16200 46504473 PA130232992 DAP000393 Bevacizumab CHEMBL1201583 253337 DB00113 Technetium Tc-99m arcitumomab BE0000107 CEACAM1 P13688 CEAM1_HUMAN other/unknown 12865871; 9389396 "Fuster D, Maurel J, Muxi A, Setoain X, Ayuso C, Martin F, Ortega ML, Fuertes S, Pons F: Is there a role for (99m)Tc-anti-CEA monoclonal antibody imaging in the diagnosis of recurrent colorectal carcinoma? Q J Nucl Med. 2003 Jun;47(2):109-15.@@Hughes K, Pinsky CM, Petrelli NJ, Moffat FL, Patt YZ, Hammershaimb L, Goldenberg DM: Use of carcinoembryonic antigen radioimmunodetection and computed tomography for predicting the resectability of recurrent colorectal cancer. Ann Surg. 1997 Nov;226(5):621-31." Experimental Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Diagnostic Radiopharmaceuticals; Immunoglobulins; Organometallic Compounds; Serum Globulins; Technetium (99Mtc) Compounds; Immunoproteins; Tumour Detection; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 46507781 PA164746540 DAP001303 Arcitumomab CHEMBL2108253 230435 DB00114 Pyridoxal phosphate BE0000331 SHMT1 P34896 GLYC_HUMAN cofactor 7526359; 9305893; 3143355; 10592235 "Trakatellis A, Dimitriadou A, Exindari M, Christodoulou D, Malissiovas N, Antoniadis A, Haitoglou K: Effect of combination of deoxypyridoxine with known anti-proliferative or immunosuppressive agents on lymphocyte serine hydroxymethyltransferase. Postgrad Med J. 1994;70 Suppl 1:S89-92.@@Jagath JR, Sharma B, Rao NA, Savithri HS: The role of His-134, -147, and -150 residues in subunit assembly, cofactor binding, and catalysis of sheep liver cytosolic serine hydroxymethyltransferase. J Biol Chem. 1997 Sep 26;272(39):24355-62.@@Bourguignon J, Neuburger M, Douce R: Resolution and characterization of the glycine-cleavage reaction in pea leaf mitochondria. Properties of the forward reaction catalysed by glycine decarboxylase and serine hydroxymethyltransferase. Biochem J. 1988 Oct 1;255(1):169-78.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0000151 NFS1 Q9Y697 NFS1_HUMAN cofactor 12119030; 17469805; 16310786; 12860127; 12196163 "Ollagnier-De-Choudens S, Mulliez E, Hewitson KS, Fontecave M: Biotin synthase is a pyridoxal phosphate-dependent cysteine desulfurase. Biochemistry. 2002 Jul 23;41(29):9145-52.@@You D, Wang L, Yao F, Zhou X, Deng Z: A novel DNA modification by sulfur: DndA is a NifS-like cysteine desulfurase capable of assembling DndC as an iron-sulfur cluster protein in Streptomyces lividans. Biochemistry. 2007 May 22;46(20):6126-33. Epub 2007 May 1.@@Forlani F, Cereda A, Freuer A, Nimtz M, Leimkuhler S, Pagani S: The cysteine-desulfurase IscS promotes the production of the rhodanese RhdA in the persulfurated form. FEBS Lett. 2005 Dec 19;579(30):6786-90. Epub 2005 Nov 21.@@Cupp-Vickery JR, Urbina H, Vickery LE: Crystal structure of IscS, a cysteine desulfurase from Escherichia coli. J Mol Biol. 2003 Jul 25;330(5):1049-59.@@Frazzon J, Fick JR, Dean DR: Biosynthesis of iron-sulphur clusters is a complex and highly conserved process. Biochem Soc Trans. 2002 Aug;30(4):680-5." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0000404 ODC1 P11926 DCOR_HUMAN cofactor 12672797; 12627959; 15476392; 12460114; 11683631 "Jackson LK, Goldsmith EJ, Phillips MA: X-ray structure determination of Trypanosoma brucei ornithine decarboxylase bound to D-ornithine and to G418: insights into substrate binding and ODC conformational flexibility. J Biol Chem. 2003 Jun 13;278(24):22037-43. Epub 2003 Apr 2.@@Jackson LK, Brooks HB, Myers DP, Phillips MA: Ornithine decarboxylase promotes catalysis by binding the carboxylate in a buried pocket containing phenylalanine 397. Biochemistry. 2003 Mar 18;42(10):2933-40.@@Jackson LK, Baldwin J, Akella R, Goldsmith EJ, Phillips MA: Multiple active site conformations revealed by distant site mutation in ornithine decarboxylase. Biochemistry. 2004 Oct 19;43(41):12990-9.@@Khomutov AR: Inhibition of enzymes of polyamine biosynthesis by substrate-like O-substituted hydroxylamines. Biochemistry (Mosc). 2002 Oct;67(10):1159-67.@@Myers DP, Jackson LK, Ipe VG, Murphy GE, Phillips MA: Long-range interactions in the dimer interface of ornithine decarboxylase are important for enzyme function. Biochemistry. 2001 Nov 6;40(44):13230-6." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0000778 SGPL1 O95470 SGPL1_HUMAN cofactor 15522238; 11377878 "Ikeda M, Kihara A, Igarashi Y: Sphingosine-1-phosphate lyase SPL is an endoplasmic reticulum-resident, integral membrane protein with the pyridoxal 5'-phosphate binding domain exposed to the cytosol. Biochem Biophys Res Commun. 2004 Dec 3;325(1):338-43.@@Bobbin RP: PPADS, an ATP antagonist, attenuates the effects of a moderately intense sound on cochlear mechanics. Hear Res. 2001 Jun;156(1-2):10-6." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0000273 CCBL1 Q16773 KAT1_HUMAN cofactor 12167474; 12850267; 16846239; 12798391; 16463021 "Cooper AJ, Bruschi SA, Anders MW: Toxic, halogenated cysteine S-conjugates and targeting of mitochondrial enzymes of energy metabolism. Biochem Pharmacol. 2002 Aug 15;64(4):553-64.@@Mosca M, Croci C, Mostardini M, Breton J, Malyszko J, Avanzi N, Toma S, Benatti L, Gatti S: Tissue expression and translational control of rat kynurenine aminotransferase/glutamine transaminase K mRNAs. Biochim Biophys Acta. 2003 Jul 9;1628(1):1-10.@@Zhang L, Cooper AJ, Krasnikov BF, Xu H, Bubber P, Pinto JT, Gibson GE, Hanigan MH: Cisplatin-induced toxicity is associated with platinum deposition in mouse kidney mitochondria in vivo and with selective inactivation of the alpha-ketoglutarate dehydrogenase complex in LLC-PK1 cells. Biochemistry. 2006 Jul 25;45(29):8959-71.@@Venhorst J, ter Laak AM, Meijer M, van de Wetering I, Commandeur JN, Rooseboom M, Vermeulen NP: Modeling and molecular dynamics of glutamine transaminase K/cysteine conjugate beta-lyase. J Mol Graph Model. 2003 Sep;22(1):55-70.@@Cooper AJ, Pinto JT: Cysteine S-conjugate beta-lyases. Amino Acids. 2006 Feb;30(1):1-15. Epub 2006 Feb 6." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0000660 SPTLC2 O15270 SPTC2_HUMAN cofactor 12782147; 11726713; 11781309; 11279212; 11171191 "Hanada K: Serine palmitoyltransferase, a key enzyme of sphingolipid metabolism. Biochim Biophys Acta. 2003 Jun 10;1632(1-3):16-30.@@Tamura K, Mitsuhashi N, Hara-Nishimura I, Imai H: Characterization of an Arabidopsis cDNA encoding a subunit of serine palmitoyltransferase, the initial enzyme in sphingolipid biosynthesis. Plant Cell Physiol. 2001 Nov;42(11):1274-81.@@Gable K, Han G, Monaghan E, Bacikova D, Natarajan M, Williams R, Dunn TM: Mutations in the yeast LCB1 and LCB2 genes, including those corresponding to the hereditary sensory neuropathy type I mutations, dominantly inactivate serine palmitoyltransferase. J Biol Chem. 2002 Mar 22;277(12):10194-200. Epub 2002 Jan 7.@@Ikushiro H, Hayashi H, Kagamiyama H: A water-soluble homodimeric serine palmitoyltransferase from Sphingomonas paucimobilis EY2395T strain. Purification, characterization, cloning, and overproduction. J Biol Chem. 2001 May 25;276(21):18249-56. Epub 2001 Mar 12.@@Tamura K, Nishiura H, Mori J, Imai H: Cloning and characterization of a cDNA encoding serine palmitoyltransferase in Arabidopsis thaliana. Biochem Soc Trans. 2000 Dec;28(6):745-7." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0000079 CSAD Q9Y600 CSAD_HUMAN cofactor 15070923 "Skoldberg F, Rorsman F, Perheentupa J, Landin-Olsson M, Husebye ES, Gustafsson J, Kampe O: Analysis of antibody reactivity against cysteine sulfinic acid decarboxylase, a pyridoxal phosphate-dependent enzyme, in endocrine autoimmune disease. J Clin Endocrinol Metab. 2004 Apr;89(4):1636-40." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0000448 AZIN2 Q96A70 AZIN2_HUMAN cofactor 11980912; 15583399; 16997906; 11168717; 17305368 "Graham DE, Xu H, White RH: Methanococcus jannaschii uses a pyruvoyl-dependent arginine decarboxylase in polyamine biosynthesis. J Biol Chem. 2002 Jun 28;277(26):23500-7. Epub 2002 Apr 29.@@Patel CN, Adcock RS, Sell KG, Oliveira MA: Crystallization, X-ray diffraction and oligomeric characterization of arginine decarboxylase from Yersinia pestis, a key polyamine biosynthetic enzyme. Acta Crystallogr D Biol Crystallogr. 2004 Dec;60(Pt 12 Pt 2):2396-8. Epub 2004 Nov 26.@@Kidron H, Repo S, Johnson MS, Salminen TA: Functional classification of amino acid decarboxylases from the alanine racemase structural family by phylogenetic studies. Mol Biol Evol. 2007 Jan;24(1):79-89. Epub 2006 Sep 22.@@Arena ME, Manca de Nadra MC: Biogenic amine production by Lactobacillus. J Appl Microbiol. 2001 Feb;90(2):158-62.@@Shah R, Akella R, Goldsmith EJ, Phillips MA: X-ray structure of Paramecium bursaria Chlorella virus arginine decarboxylase: insight into the structural basis for substrate specificity. Biochemistry. 2007 Mar 13;46(10):2831-41. Epub 2007 Feb 17." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0000667 GPT P24298 ALAT1_HUMAN cofactor 14688239; 12537583; 16179747; 15347780; 11330835 "Cheung PY, Fong CC, Ng KT, Lam WC, Leung YC, Tsang CW, Yang M, Wong MS: Interaction between pyridoxal kinase and pyridoxal-5-phosphate-dependent enzymes. J Biochem. 2003 Nov;134(5):731-8.@@Halfon P, Imbert-Bismut F, Messous D, Antoniotti G, Benchetrit D, Cart-Lamy P, Delaporte G, Doutheau D, Klump T, Sala M, Thibaud D, Trepo E, Thabut D, Myers RP, Poynard T: A prospective assessment of the inter-laboratory variability of biochemical markers of fibrosis (FibroTest) and activity (ActiTest) in patients with chronic liver disease. Comp Hepatol. 2002 Dec 30;1(1):3.@@Inubushi T, Takasawa T, Tuboi Y, Watanabe N, Aki K, Katunuma N: Changes of glucose metabolism and skin-collagen neogenesis in vitamin B6 deficiency. Biofactors. 2005;23(2):59-67.@@Baines CJ, McKeown-Eyssen GE, Riley N, Cole DE, Marshall L, Loescher B, Jazmaji V: Case-control study of multiple chemical sensitivity, comparing haematology, biochemistry, vitamins and serum volatile organic compound measures. Occup Med (Lond). 2004 Sep;54(6):408-18. Epub 2004 Sep 3.@@Beranek M, Drsata J, Palicka V: Inhibitory effect of glycation on catalytic activity of alanine aminotransferase. Mol Cell Biochem. 2001 Feb;218(1-2):35-9." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0000278 PDXP Q96GD0 PLPP_HUMAN cofactor 14522954; 11000053; 17531224; 16336786; 16336194 "Jang YM, Kim DW, Kang TC, Won MH, Baek NI, Moon BJ, Choi SY, Kwon OS: Human pyridoxal phosphatase. Molecular cloning, functional expression, and tissue distribution. J Biol Chem. 2003 Dec 12;278(50):50040-6. Epub 2003 Sep 30.@@McCarty MF: Increased homocyst(e)ine associated with smoking, chronic inflammation, and aging may reflect acute-phase induction of pyridoxal phosphatase activity. Med Hypotheses. 2000 Oct;55(4):289-93.@@Hwang IK, Yoo KY, Kim do H, Lee BH, Kwon YG, Won MH: Time course of changes in pyridoxal 5'-phosphate (vitamin B6 active form) and its neuroprotection in experimental ischemic damage. Exp Neurol. 2007 Jul;206(1):114-25. Epub 2007 Apr 24.@@Kim DW, Eum WS, Choi HS, Kim SY, An JJ, Lee SH, Sohn EJ, Hwang SI, Kwon OS, Kang TC, Won MH, Cho SW, Lee KS, Park J, Choi SY: Human brain pyridoxal-5'-phosphate phosphatase: production and characterization of monoclonal antibodies. J Biochem Mol Biol. 2005 Nov 30;38(6):703-8.@@Tirrell IM, Wall JL, Daley CJ, Denial SJ, Tennis FG, Galens KG, O'Handley SF: YZGD from Paenibacillus thiaminolyticus, a pyridoxal phosphatase of the HAD (haloacid dehalogenase) superfamily and a versatile member of the Nudix (nucleoside diphosphate x) hydrolase superfamily. Biochem J. 2006 Mar 15;394(Pt 3):665-74." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0000441 SPTLC1 O15269 SPTC1_HUMAN cofactor 12782147; 11781309; 11279212 "Hanada K: Serine palmitoyltransferase, a key enzyme of sphingolipid metabolism. Biochim Biophys Acta. 2003 Jun 10;1632(1-3):16-30.@@Gable K, Han G, Monaghan E, Bacikova D, Natarajan M, Williams R, Dunn TM: Mutations in the yeast LCB1 and LCB2 genes, including those corresponding to the hereditary sensory neuropathy type I mutations, dominantly inactivate serine palmitoyltransferase. J Biol Chem. 2002 Mar 22;277(12):10194-200. Epub 2002 Jan 7.@@Ikushiro H, Hayashi H, Kagamiyama H: A water-soluble homodimeric serine palmitoyltransferase from Sphingomonas paucimobilis EY2395T strain. Purification, characterization, cloning, and overproduction. J Biol Chem. 2001 May 25;276(21):18249-56. Epub 2001 Mar 12." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0000791 CTH P32929 CGL_HUMAN cofactor 15184188; 15823094; 17377202; 16857832; 11578145 "Yamagata S, Akamatsu T, Iwama T: Immobilization of Saccharomyces cerevisiae cystathionine gamma-lyase and application of the product to cystathionine synthesis. Appl Environ Microbiol. 2004 Jun;70(6):3766-8.@@Bertoldi M, Cellini B, Laurents DV, Borri Voltattorni C: Folding pathway of the pyridoxal 5'-phosphate C-S lyase MalY from Escherichia coli. Biochem J. 2005 Aug 1;389(Pt 3):885-98.@@Lowicka E, Beltowski J: Hydrogen sulfide (H2S) - the third gas of interest for pharmacologists. Pharmacol Rep. 2007 Jan-Feb;59(1):4-24.@@Lima CP, Davis SR, Mackey AD, Scheer JB, Williamson J, Gregory JF 3rd: Vitamin B-6 deficiency suppresses the hepatic transsulfuration pathway but increases glutathione concentration in rats fed AIN-76A or AIN-93G diets. J Nutr. 2006 Aug;136(8):2141-7.@@Okuno T, Kubota T, Kuroda T, Ueno H, Nakamuro K: Contribution of enzymic alpha, gamma-elimination reaction in detoxification pathway of selenomethionine in mouse liver. Toxicol Appl Pharmacol. 2001 Oct 1;176(1):18-23." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0000517 BCAT1 P54687 BCAT1_HUMAN cofactor 12269802 "Yennawar NH, Conway ME, Yennawar HP, Farber GK, Hutson SM: Crystal structures of human mitochondrial branched chain aminotransferase reaction intermediates: ketimine and pyridoxamine phosphate forms. Biochemistry. 2002 Oct 1;41(39):11592-601." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0000721 BCAT2 O15382 BCAT2_HUMAN cofactor 12269802 "Yennawar NH, Conway ME, Yennawar HP, Farber GK, Hutson SM: Crystal structures of human mitochondrial branched chain aminotransferase reaction intermediates: ketimine and pyridoxamine phosphate forms. Biochemistry. 2002 Oct 1;41(39):11592-601." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0002149 PROSC O94903 PROSC_HUMAN binder 31825581 "Fux A, Sieber SA: Biochemical and Proteomic Studies of Human Pyridoxal 5'-Phosphate-Binding Protein (PLPBP). ACS Chem Biol. 2020 Jan 17;15(1):254-261. doi: 10.1021/acschembio.9b00857. Epub 2019 Dec 26." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0000383 GOT2 P00505 AATM_HUMAN cofactor 236311 "Mavrides C, Orr W: Multispecific aspartate and aromatic amino acid aminotransferases in Escherichia coli. J Biol Chem. 1975 Jun 10;250(11):4128-33." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0002150 PYGB P11216 PYGB_HUMAN cofactor 7916624; 8254668 "Hudson JW, Hefferon KL, Crerar MM: Comparative analysis of species-independent, isozyme-specific amino-acid substitutions in mammalian muscle, brain and liver glycogen phosphorylases. Biochim Biophys Acta. 1993 Jul 10;1164(2):197-208. doi: 10.1016/0167-4838(93)90248-p.@@Hudson JW, Golding GB, Crerar MM: Evolution of allosteric control in glycogen phosphorylase. J Mol Biol. 1993 Dec 5;234(3):700-21. doi: 10.1006/jmbi.1993.1621." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0000602 GAD2 Q05329 DCE2_HUMAN cofactor 10978228 "Cormier-Daire V, Dagoneau N, Nabbout R, Burglen L, Penet C, Soufflet C, Desguerre I, Munnich A, Dulac O: A gene for pyridoxine-dependent epilepsy maps to chromosome 5q31. Am J Hum Genet. 2000 Oct;67(4):991-3. Epub 2000 Sep 7." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0002162 CCBL2 Q6YP21 KAT3_HUMAN cofactor 27314340; 24739074 "Nematollahi A, Sun G, Jayawickrama GS, Church WB: Kynurenine Aminotransferase Isozyme Inhibitors: A Review. Int J Mol Sci. 2016 Jun 15;17(6). pii: ijms17060946. doi: 10.3390/ijms17060946.@@Nematollahi A, Church WB, Nadvi NA, Gorrell MD, Sun G: Homology modeling of human kynurenine aminotransferase III and observations on inhibitor binding using molecular docking. Cent Nerv Syst Agents Med Chem. 2014;14(1):2-9. doi: 10.2174/1871524914666140416095523." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0002163 GADL1 Q6ZQY3 GADL1_HUMAN cofactor 23038267 "Liu P, Ge X, Ding H, Jiang H, Christensen BM, Li J: Role of glutamate decarboxylase-like protein 1 (GADL1) in taurine biosynthesis. J Biol Chem. 2012 Nov 30;287(49):40898-906. doi: 10.1074/jbc.M112.393728. Epub 2012 Oct 4." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0004605 SCLY Q96I15 SCLY_HUMAN cofactor 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0004612 IGSF10 Q6WRI0 IGS10_HUMAN cofactor 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0002164 PHYKPL Q8IUZ5 AT2L2_HUMAN cofactor 22241472 "Veiga-da-Cunha M, Hadi F, Balligand T, Stroobant V, Van Schaftingen E: Molecular identification of hydroxylysine kinase and of ammoniophospholyases acting on 5-phosphohydroxy-L-lysine and phosphoethanolamine. J Biol Chem. 2012 Mar 2;287(10):7246-55. doi: 10.1074/jbc.M111.323485. Epub 2012 Jan 12." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0002167 MOCOS Q96EN8 MOCOS_HUMAN cofactor 15561708; 16784786; 11886751; 11553608 "Heidenreich T, Wollers S, Mendel RR, Bittner F: Characterization of the NifS-like domain of ABA3 from Arabidopsis thaliana provides insight into the mechanism of molybdenum cofactor sulfuration. J Biol Chem. 2005 Feb 11;280(6):4213-8. Epub 2004 Nov 22.@@Mendel RR, Bittner F: Cell biology of molybdenum. Biochim Biophys Acta. 2006 Jul;1763(7):621-35. Epub 2006 May 12.@@Anantharaman V, Aravind L: MOSC domains: ancient, predicted sulfur-carrier domains, present in diverse metal-sulfur cluster biosynthesis proteins including Molybdenum cofactor sulfurases. FEMS Microbiol Lett. 2002 Jan 22;207(1):55-61.@@Bittner F, Oreb M, Mendel RR: ABA3 is a molybdenum cofactor sulfurase required for activation of aldehyde oxidase and xanthine dehydrogenase in Arabidopsis thaliana. J Biol Chem. 2001 Nov 2;276(44):40381-4. Epub 2001 Sep 11." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0000388 SRR Q9GZT4 SRR_HUMAN cofactor 16289454; 16185077; 15306409; 12560076; 12596860 "Hashimoto A, Yoshikawa M: Effect of aminooxyacetic acid on extracellular level of D-serine in rat striatum: an in vivo microdialysis study. Eur J Pharmacol. 2005 Nov 21;525(1-3):91-3. Epub 2005 Nov 14.@@Strisovsky K, Jiraskova J, Mikulova A, Rulisek L, Konvalinka J: Dual substrate and reaction specificity in mouse serine racemase: identification of high-affinity dicarboxylate substrate and inhibitors and analysis of the beta-eliminase activity. Biochemistry. 2005 Oct 4;44(39):13091-100.@@Schell MJ: The N-methyl D-aspartate receptor glycine site and D-serine metabolism: an evolutionary perspective. Philos Trans R Soc Lond B Biol Sci. 2004 Jun 29;359(1446):943-64.@@Strisovsky K, Jiraskova J, Barinka C, Majer P, Rojas C, Slusher BS, Konvalinka J: Mouse brain serine racemase catalyzes specific elimination of L-serine to pyruvate. FEBS Lett. 2003 Jan 30;535(1-3):44-8.@@Uo T, Yoshimura T, Nishiyama T, Esaki N: Gene cloning, purification, and characterization of 2,3-diaminopropionate ammonia-lyase from Escherichia coli. Biosci Biotechnol Biochem. 2002 Dec;66(12):2639-44." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0002171 SEPSECS Q9HD40 SPCS_HUMAN cofactor 17194211; 11481605 "Xu XM, Carlson BA, Mix H, Zhang Y, Saira K, Glass RS, Berry MJ, Gladyshev VN, Hatfield DL: Biosynthesis of selenocysteine on its tRNA in eukaryotes. PLoS Biol. 2007 Jan;5(1):e4.@@Kernebeck T, Lohse AW, Grotzinger J: A bioinformatical approach suggests the function of the autoimmune hepatitis target antigen soluble liver antigen/liver pancreas. Hepatology. 2001 Aug;34(2):230-3." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0002172 SPTLC3 Q9NUV7 SPTC3_HUMAN cofactor 22616865; 12782147; 19648650; 19416851 "Lowther J, Naismith JH, Dunn TM, Campopiano DJ: Structural, mechanistic and regulatory studies of serine palmitoyltransferase. Biochem Soc Trans. 2012 Jun 1;40(3):547-54. doi: 10.1042/BST20110769.@@Hanada K: Serine palmitoyltransferase, a key enzyme of sphingolipid metabolism. Biochim Biophys Acta. 2003 Jun 10;1632(1-3):16-30.@@Hornemann T, Penno A, Rutti MF, Ernst D, Kivrak-Pfiffner F, Rohrer L, von Eckardstein A: The SPTLC3 subunit of serine palmitoyltransferase generates short chain sphingoid bases. J Biol Chem. 2009 Sep 25;284(39):26322-30. doi: 10.1074/jbc.M109.023192. Epub 2009 Aug 1.@@Han G, Gupta SD, Gable K, Niranjanakumari S, Moitra P, Eichler F, Brown RH Jr, Harmon JM, Dunn TM: Identification of small subunits of mammalian serine palmitoyltransferase that confer distinct acyl-CoA substrate specificities. Proc Natl Acad Sci U S A. 2009 May 19;106(20):8186-91. doi: 10.1073/pnas.0811269106. Epub 2009 May 5." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00114 Pyridoxal phosphate BE0010222 GOT1 P00505 AATM_HUMAN cofactor 28232482; 32093839; 240513 "Dajnowicz S, Parks JM, Hu X, Gesler K, Kovalevsky AY, Mueser TC: Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase. J Biol Chem. 2017 Apr 7;292(14):5970-5980. doi: 10.1074/jbc.M116.774588. Epub 2017 Feb 23.@@Mueser TC, Drago V, Kovalevsky A, Dajnowicz S: Pyridoxal 5'-phosphate dependent reactions: Analyzing the mechanism of aspartate aminotransferase. Methods Enzymol. 2020;634:333-359. doi: 10.1016/bs.mie.2020.01.009. Epub 2020 Feb 13.@@Rej R, Vanderlinde RE: Effects of buffers on aspartate aminotransferase activity and association of the enzyme with pyridoxal phosphate. Clin Chem. 1975 Oct;21(11):1585-91." Approved; Investigational; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling disease; metabolic; drug_action 46506428 D00006 PA164749650 DNC001499 Pyridoxal_phosphate CHEMBL82202 9004 DB00115 Cyanocobalamin BE0000734 MTR Q99707 METH_HUMAN cofactor 19904199; 18709879; 22254022 "Stover PJ: Vitamin B12 and older adults. Curr Opin Clin Nutr Metab Care. 2010 Jan;13(1):24-7. doi: 10.1097/MCO.0b013e328333d157.@@Allen LH: Causes of vitamin B12 and folate deficiency. Food Nutr Bull. 2008 Jun;29(2 Suppl):S20-34; discussion S35-7.@@O'Leary F, Samman S: Vitamin B12 in health and disease. Nutrients. 2010 Mar;2(3):299-316. doi: 10.3390/nu2030299. Epub 2010 Mar 5." Approved; Nutraceutical Cobalamin derivatives Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids "Vitamin B 12, biosynthesis; Vitamins; Corrinoids; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin B Complex; Blood and Blood Forming Organs; Growth Substances; Food; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients" C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2 4991 46509031 D00166 PA451892 Cyanocobalamin CHEMBL2110563 11248 DB00115 Cyanocobalamin BE0000777 MUT P22033 MUTA_HUMAN cofactor 16281286; 16305240; 16813422; 17011224; 19904199; 22254022 "Worgan LC, Niles K, Tirone JC, Hofmann A, Verner A, Sammak A, Kucic T, Lepage P, Rosenblatt DS: Spectrum of mutations in mut methylmalonic acidemia and identification of a common Hispanic mutation and haplotype. Hum Mutat. 2006 Jan;27(1):31-43.@@Brooks AJ, Vlasie M, Banerjee R, Brunold TC: Co-C bond activation in methylmalonyl-CoA mutase by stabilization of the post-homolysis product Co2+ cobalamin. J Am Chem Soc. 2005 Nov 30;127(47):16522-8.@@Kozlowski PM, Andruniow T, Jarzecki AA, Zgierski MZ, Spiro TG: DFT analysis of co-alkyl and co-adenosyl vibrational modes in B12-cofactors. Inorg Chem. 2006 Jul 10;45(14):5585-90.@@Moras E, Hosack A, Watkins D, Rosenblatt DS: Mitochondrial vitamin B12-binding proteins in patients with inborn errors of cobalamin metabolism. Mol Genet Metab. 2007 Feb;90(2):140-7. Epub 2006 Sep 29.@@Stover PJ: Vitamin B12 and older adults. Curr Opin Clin Nutr Metab Care. 2010 Jan;13(1):24-7. doi: 10.1097/MCO.0b013e328333d157.@@O'Leary F, Samman S: Vitamin B12 in health and disease. Nutrients. 2010 Mar;2(3):299-316. doi: 10.3390/nu2030299. Epub 2010 Mar 5." Approved; Nutraceutical Cobalamin derivatives Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids "Vitamin B 12, biosynthesis; Vitamins; Corrinoids; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin B Complex; Blood and Blood Forming Organs; Growth Substances; Food; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients" C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2 4991 46509031 D00166 PA451892 Cyanocobalamin CHEMBL2110563 11248 DB00115 Cyanocobalamin BE0000763 MTRR Q9UBK8 MTRR_HUMAN cofactor 15979034; 15612980; 17611986 "O'Leary VB, Mills JL, Pangilinan F, Kirke PN, Cox C, Conley M, Weiler A, Peng K, Shane B, Scott JM, Parle-McDermott A, Molloy AM, Brody LC: Analysis of methionine synthase reductase polymorphisms for neural tube defects risk association. Mol Genet Metab. 2005 Jul;85(3):220-7. Epub 2005 Mar 17.@@Miriuka SG, Langman LJ, Evrovski J, Miner SE, D'Mello N, Delgado DH, Wong BY, Ross HJ, Cole DE: Genetic polymorphisms predisposing to hyperhomocysteinemia in cardiac transplant patients. Transpl Int. 2005 Jan;18(1):29-35.@@Berkun Y, Abou Atta I, Rubinow A, Orbach H, Levartovsky D, Aamar S, Arbel O, Dresner-Pollak R, Friedman G, Ben-Yehuda A: 2756GG genotype of methionine synthase reductase gene is more prevalent in rheumatoid arthritis patients treated with methotrexate and is associated with methotrexate-induced nodulosis. J Rheumatol. 2007 Aug;34(8):1664-9. Epub 2007 Jul 1." Approved; Nutraceutical Cobalamin derivatives Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids "Vitamin B 12, biosynthesis; Vitamins; Corrinoids; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin B Complex; Blood and Blood Forming Organs; Growth Substances; Food; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients" C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2 4991 46509031 D00166 PA451892 Cyanocobalamin CHEMBL2110563 11248 DB00115 Cyanocobalamin BE0000320 MMAA Q8IVH4 MMAA_HUMAN binder 15523652; 16697227; 29862147; 19700356 "Lerner-Ellis JP, Dobson CM, Wai T, Watkins D, Tirone JC, Leclerc D, Dore C, Lepage P, Gravel RA, Rosenblatt DS: Mutations in the MMAA gene in patients with the cblA disorder of vitamin B12 metabolism. Hum Mutat. 2004 Dec;24(6):509-16.@@Dobson CM, Gradinger A, Longo N, Wu X, Leclerc D, Lerner-Ellis J, Lemieux M, Belair C, Watkins D, Rosenblatt DS, Gravel RA: Homozygous nonsense mutation in the MCEE gene and siRNA suppression of methylmalonyl-CoA epimerase expression: a novel cause of mild methylmalonic aciduria. Mol Genet Metab. 2006 Aug;88(4):327-33. Epub 2006 May 11.@@Zhou X, Cui Y, Han J: Methylmalonic acidemia: Current status and research priorities. Intractable Rare Dis Res. 2018 May;7(2):73-78. doi: 10.5582/irdr.2018.01026.@@Froese DS, Zhang J, Healy S, Gravel RA: Mechanism of vitamin B12-responsiveness in cblC methylmalonic aciduria with homocystinuria. Mol Genet Metab. 2009 Dec;98(4):338-43. doi: 10.1016/j.ymgme.2009.07.014. Epub 2009 Aug 3." Approved; Nutraceutical Cobalamin derivatives Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids "Vitamin B 12, biosynthesis; Vitamins; Corrinoids; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin B Complex; Blood and Blood Forming Organs; Growth Substances; Food; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients" C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2 4991 46509031 D00166 PA451892 Cyanocobalamin CHEMBL2110563 11248 DB00115 Cyanocobalamin BE0002175 MMACHC Q9Y4U1 MMAC_HUMAN cofactor 16843692; 17431913; 16714133; 16311595; 25820384 "Chandler RJ, Aswani V, Tsai MS, Falk M, Wehrli N, Stabler S, Allen R, Sedensky M, Kazazian HH, Venditti CP: Propionyl-CoA and adenosylcobalamin metabolism in Caenorhabditis elegans: evidence for a role of methylmalonyl-CoA epimerase in intermediary metabolism. Mol Genet Metab. 2006 Sep-Oct;89(1-2):64-73. Epub 2006 Jul 14.@@Ben-Omran TI, Wong H, Blaser S, Feigenbaum A: Late-onset cobalamin-C disorder: a challenging diagnosis. Am J Med Genet A. 2007 May 1;143A(9):979-84.@@Morel CF, Lerner-Ellis JP, Rosenblatt DS: Combined methylmalonic aciduria and homocystinuria (cblC): phenotype-genotype correlations and ethnic-specific observations. Mol Genet Metab. 2006 Aug;88(4):315-21. Epub 2006 May 22.@@Lerner-Ellis JP, Tirone JC, Pawelek PD, Dore C, Atkinson JL, Watkins D, Morel CF, Fujiwara TM, Moras E, Hosack AR, Dunbar GV, Antonicka H, Forgetta V, Dobson CM, Leclerc D, Gravel RA, Shoubridge EA, Coulton JW, Lepage P, Rommens JM, Morgan K, Rosenblatt DS: Identification of the gene responsible for methylmalonic aciduria and homocystinuria, cblC type. Nat Genet. 2006 Jan;38(1):93-100. Epub 2005 Nov 27.@@Obeid R, Fedosov SN, Nexo E: Cobalamin coenzyme forms are not likely to be superior to cyano- and hydroxyl-cobalamin in prevention or treatment of cobalamin deficiency. Mol Nutr Food Res. 2015 Jul;59(7):1364-72. doi: 10.1002/mnfr.201500019. Epub 2015 May 12." Approved; Nutraceutical Cobalamin derivatives Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids "Vitamin B 12, biosynthesis; Vitamins; Corrinoids; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin B Complex; Blood and Blood Forming Organs; Growth Substances; Food; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients" C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2 4991 46509031 D00166 PA451892 Cyanocobalamin CHEMBL2110563 11248 DB00116 Tetrahydrofolic acid BE0000617 MTHFD1 P11586 C1TC_HUMAN cofactor 11323021; 16171773; 17533396; 12949177; 12937168 "Akar N, Akar E, Ozel D, Deda G, Sipahi T: Common mutations at the homocysteine metabolism pathway and pediatric stroke. Thromb Res. 2001 Apr 15;102(2):115-20.@@Walkup AS, Appling DR: Enzymatic characterization of human mitochondrial C1-tetrahydrofolate synthase. Arch Biochem Biophys. 2005 Oct 15;442(2):196-205. Epub 2005 Aug 30.@@Matakidou A, El Galta R, Rudd MF, Webb EL, Bridle H, Eisen T, Houlston RS: Prognostic significance of folate metabolism polymorphisms for lung cancer. Br J Cancer. 2007 Jul 16;97(2):247-52. Epub 2007 May 29.@@Salmassi TM, Leadbetter JR: Analysis of genes of tetrahydrofolate-dependent metabolism from cultivated spirochaetes and the gut community of the termite Zootermopsis angusticollis. Microbiology. 2003 Sep;149(Pt 9):2529-37.@@Prasannan P, Pike S, Peng K, Shane B, Appling DR: Human mitochondrial C1-tetrahydrofolate synthase: gene structure, tissue distribution of the mRNA, and immunolocalization in Chinese hamster ovary calls. J Biol Chem. 2003 Oct 31;278(44):43178-87. Epub 2003 Aug 22." Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Pteridines; Folic Acid and Derivatives; Vitamins; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Pterins; Dietary Supplements" NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1 "Histidinemia; Lesch-Nyhan Syndrome (LNS); Molybdenum Cofactor Deficiency; Azathioprine Action Pathway; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; Methionine Adenosyltransferase Deficiency; Folate Malabsorption, Hereditary; Adenine Phosphoribosyltransferase Deficiency (APRT); Thioguanine Action Pathway; Mercaptopurine Action Pathway; Non-Ketotic Hyperglycinemia; Methotrexate Action Pathway; Betaine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Glycine and Serine Metabolism; Adenosine Deaminase Deficiency; Xanthinuria Type II; Methionine Metabolism; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Folate Metabolism; Sarcosine Oncometabolite Pathway; Sarcosinemia; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 46504756 PA164745110 DAP001308 Tetrahydrofolic_acid CHEMBL2021342 DB00116 Tetrahydrofolic acid BE0000268 MTHFD2 P13995 MTDC_HUMAN cofactor 12949177 "Salmassi TM, Leadbetter JR: Analysis of genes of tetrahydrofolate-dependent metabolism from cultivated spirochaetes and the gut community of the termite Zootermopsis angusticollis. Microbiology. 2003 Sep;149(Pt 9):2529-37." Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Pteridines; Folic Acid and Derivatives; Vitamins; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Pterins; Dietary Supplements" NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1 "Histidinemia; Lesch-Nyhan Syndrome (LNS); Molybdenum Cofactor Deficiency; Azathioprine Action Pathway; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; Methionine Adenosyltransferase Deficiency; Folate Malabsorption, Hereditary; Adenine Phosphoribosyltransferase Deficiency (APRT); Thioguanine Action Pathway; Mercaptopurine Action Pathway; Non-Ketotic Hyperglycinemia; Methotrexate Action Pathway; Betaine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Glycine and Serine Metabolism; Adenosine Deaminase Deficiency; Xanthinuria Type II; Methionine Metabolism; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Folate Metabolism; Sarcosine Oncometabolite Pathway; Sarcosinemia; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 46504756 PA164745110 DAP001308 Tetrahydrofolic_acid CHEMBL2021342 DB00116 Tetrahydrofolic acid BE0000734 MTR Q99707 METH_HUMAN cofactor 10978155; 11169015; 11237340; 9398303; 9730838 "Hall DA, Jordan-Starck TC, Loo RO, Ludwig ML, Matthews RG: Interaction of flavodoxin with cobalamin-dependent methionine synthase. Biochemistry. 2000 Sep 5;39(35):10711-9.@@Fowler B: The folate cycle and disease in humans. Kidney Int Suppl. 2001 Feb;78:S221-9.@@Fu TF, di Salvo M, Schirch V: Enzymatic determination of homocysteine in cell extracts. Anal Biochem. 2001 Mar;290(2):359-65.@@Jarrett JT, Choi CY, Matthews RG: Changes in protonation associated with substrate binding and Cob(I)alamin formation in cobalamin-dependent methionine synthase. Biochemistry. 1997 Dec 16;36(50):15739-48.@@Jarrett JT, Hoover DM, Ludwig ML, Matthews RG: The mechanism of adenosylmethionine-dependent activation of methionine synthase: a rapid kinetic analysis of intermediates in reductive methylation of Cob(II)alamin enzyme. Biochemistry. 1998 Sep 8;37(36):12649-58." Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Pteridines; Folic Acid and Derivatives; Vitamins; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Pterins; Dietary Supplements" NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1 "Histidinemia; Lesch-Nyhan Syndrome (LNS); Molybdenum Cofactor Deficiency; Azathioprine Action Pathway; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; Methionine Adenosyltransferase Deficiency; Folate Malabsorption, Hereditary; Adenine Phosphoribosyltransferase Deficiency (APRT); Thioguanine Action Pathway; Mercaptopurine Action Pathway; Non-Ketotic Hyperglycinemia; Methotrexate Action Pathway; Betaine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Glycine and Serine Metabolism; Adenosine Deaminase Deficiency; Xanthinuria Type II; Methionine Metabolism; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Folate Metabolism; Sarcosine Oncometabolite Pathway; Sarcosinemia; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 46504756 PA164745110 DAP001308 Tetrahydrofolic_acid CHEMBL2021342 DB00116 Tetrahydrofolic acid BE0001240 ATIC P31939 PUR9_HUMAN cofactor 12974624; 11948179 "Wolan DW, Greasley SE, Wall MJ, Benkovic SJ, Wilson IA: Structure of avian AICAR transformylase with a multisubstrate adduct inhibitor beta-DADF identifies the folate binding site. Biochemistry. 2003 Sep 23;42(37):10904-14.@@Bulock KG, Beardsley GP, Anderson KS: The kinetic mechanism of the human bifunctional enzyme ATIC (5-amino-4-imidazolecarboxamide ribonucleotide transformylase/inosine 5'-monophosphate cyclohydrolase). A surprising lack of substrate channeling. J Biol Chem. 2002 Jun 21;277(25):22168-74. Epub 2002 Apr 10." Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Pteridines; Folic Acid and Derivatives; Vitamins; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Pterins; Dietary Supplements" NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1 "Histidinemia; Lesch-Nyhan Syndrome (LNS); Molybdenum Cofactor Deficiency; Azathioprine Action Pathway; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; Methionine Adenosyltransferase Deficiency; Folate Malabsorption, Hereditary; Adenine Phosphoribosyltransferase Deficiency (APRT); Thioguanine Action Pathway; Mercaptopurine Action Pathway; Non-Ketotic Hyperglycinemia; Methotrexate Action Pathway; Betaine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Glycine and Serine Metabolism; Adenosine Deaminase Deficiency; Xanthinuria Type II; Methionine Metabolism; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Folate Metabolism; Sarcosine Oncometabolite Pathway; Sarcosinemia; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 46504756 PA164745110 DAP001308 Tetrahydrofolic_acid CHEMBL2021342 DB00116 Tetrahydrofolic acid BE0000331 SHMT1 P34896 GLYC_HUMAN cofactor 10656824; 10998057; 11386852; 11752472; 12668769; 10592235 "Scarsdale JN, Radaev S, Kazanina G, Schirch V, Wright HT: Crystal structure at 2.4 A resolution of E. coli serine hydroxymethyltransferase in complex with glycine substrate and 5-formyl tetrahydrofolate. J Mol Biol. 2000 Feb 11;296(1):155-68.@@Rao JV, Prakash V, Rao NA, Savithri HS: The role of Glu74 and Tyr82 in the reaction catalyzed by sheep liver cytosolic serine hydroxymethyltransferase. Eur J Biochem. 2000 Oct;267(19):5967-76.@@Heil SG, Van der Put NM, Waas ET, den Heijer M, Trijbels FJ, Blom HJ: Is mutated serine hydroxymethyltransferase (SHMT) involved in the etiology of neural tube defects? Mol Genet Metab. 2001 Jun;73(2):164-72.@@Ravanel S, Cherest H, Jabrin S, Grunwald D, Surdin-Kerjan Y, Douce R, Rebeille F: Tetrahydrofolate biosynthesis in plants: molecular and functional characterization of dihydrofolate synthetase and three isoforms of folylpolyglutamate synthetase in Arabidopsis thaliana. Proc Natl Acad Sci U S A. 2001 Dec 18;98(26):15360-5.@@Li R, Moore M, King J: Investigating the regulation of one-carbon metabolism in Arabidopsis thaliana. Plant Cell Physiol. 2003 Mar;44(3):233-41.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Pteridines; Folic Acid and Derivatives; Vitamins; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Pterins; Dietary Supplements" NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1 "Histidinemia; Lesch-Nyhan Syndrome (LNS); Molybdenum Cofactor Deficiency; Azathioprine Action Pathway; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; Methionine Adenosyltransferase Deficiency; Folate Malabsorption, Hereditary; Adenine Phosphoribosyltransferase Deficiency (APRT); Thioguanine Action Pathway; Mercaptopurine Action Pathway; Non-Ketotic Hyperglycinemia; Methotrexate Action Pathway; Betaine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Glycine and Serine Metabolism; Adenosine Deaminase Deficiency; Xanthinuria Type II; Methionine Metabolism; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Folate Metabolism; Sarcosine Oncometabolite Pathway; Sarcosinemia; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 46504756 PA164745110 DAP001308 Tetrahydrofolic_acid CHEMBL2021342 DB00116 Tetrahydrofolic acid BE0002177 MTFMT Q96DP5 FMT_HUMAN cofactor 10781559 "Li Y, Holmes WB, Appling DR, RajBhandary UL: Initiation of protein synthesis in Saccharomyces cerevisiae mitochondria without formylation of the initiator tRNA. J Bacteriol. 2000 May;182(10):2886-92." Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Pteridines; Folic Acid and Derivatives; Vitamins; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Pterins; Dietary Supplements" NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1 "Histidinemia; Lesch-Nyhan Syndrome (LNS); Molybdenum Cofactor Deficiency; Azathioprine Action Pathway; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; Methionine Adenosyltransferase Deficiency; Folate Malabsorption, Hereditary; Adenine Phosphoribosyltransferase Deficiency (APRT); Thioguanine Action Pathway; Mercaptopurine Action Pathway; Non-Ketotic Hyperglycinemia; Methotrexate Action Pathway; Betaine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Glycine and Serine Metabolism; Adenosine Deaminase Deficiency; Xanthinuria Type II; Methionine Metabolism; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Folate Metabolism; Sarcosine Oncometabolite Pathway; Sarcosinemia; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 46504756 PA164745110 DAP001308 Tetrahydrofolic_acid CHEMBL2021342 DB00117 Histidine BE0000740 HARS P12081 SYHC_HUMAN 17150756; 16741232 "Nagatoyo Y, Iwaki J, Suzuki S, Kuno A, Hasegawa T: Molecular recognition of histidine tRNA by histidyl-tRNA synthetase from hyperthermophilic archaeon, Aeropyrum pernix K1. Nucleic Acids Symp Ser (Oxf). 2005;(49):307-8.@@Rosen AE, Brooks BS, Guth E, Francklyn CS, Musier-Forsyth K: Evolutionary conservation of a functionally important backbone phosphate group critical for aminoacylation of histidine tRNAs. RNA. 2006 Jul;12(7):1315-22. Epub 2006 Jun 1." Investigational; Nutraceutical Histidine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Amino Acids, Essential; Dietary Supplements; Amino Acids, Peptides, and Proteins" N[C@@H](CC1=CNC=N1)C(O)=O "Clomocycline Action Pathway; Histidinemia; Rolitetracycline Action Pathway; Demeclocycline Action Pathway; Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; Carnosinuria, Carnosinemia; Azithromycin Action Pathway; Methylhistidine Metabolism; Clarithromycin Action Pathway; Minocycline Action Pathway; Troleandomycin Action Pathway; Amikacin Action Pathway; Streptomycin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; beta-Alanine Metabolism; Doxycycline Action Pathway; Ammonia Recycling; Histidine Metabolism; Telithromycin Action Pathway; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Clindamycin Action Pathway" disease; metabolic; drug_action 10237 46507001 D00032 PA449882 Histidine CHEMBL17962 5340 DB00118 Ademetionine BE0002089 COMT P21964 COMT_HUMAN cofactor 20196537; 18486144 "Lee BW, Sun HG, Zang T, Kim BJ, Alfaro JF, Zhou ZS: Enzyme-catalyzed transfer of a ketone group from an S-adenosylmethionine analogue: a tool for the functional analysis of methyltransferases. J Am Chem Soc. 2010 Mar 24;132(11):3642-3. doi: 10.1021/ja908995p.@@Rutherford K, Le Trong I, Stenkamp RE, Parson WW: Crystal structures of human 108V and 108M catechol O-methyltransferase. J Mol Biol. 2008 Jun 27;380(1):120-30. doi: 10.1016/j.jmb.2008.04.040. Epub 2008 Apr 23." Approved; Investigational; Nutraceutical 5'-deoxy-5'-thionucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides" "Supplements; Cytochrome P-450 CYP2E1 Inhibitors; Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 Enzyme Inhibitors; Amino Acids and Derivatives; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Dietary Supplements; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism" C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Methylhistidine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/15:0); Mercaptopurine Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Tyrosinemia Type I; Betaine Metabolism; Catecholamine Biosynthesis; Phenytoin (Antiarrhythmic) Action Pathway; Glycine and Serine Metabolism; Carnitine Synthesis; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Hyperprolinemia Type I; Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Arginine and Proline Metabolism; Sarcosine Oncometabolite Pathway" disease; metabolic; drug_action 46505280 PA164754994 S-Adenosyl_methionine CHEMBL1088977 9504 DB00118 Ademetionine BE0008997 CMTR1 Q8N1G2 CMTR1_HUMAN 18533109 "Haline-Vaz T, Silva TC, Zanchin NI: The human interferon-regulated ISG95 protein interacts with RNA polymerase II and shows methyltransferase activity. Biochem Biophys Res Commun. 2008 Aug 8;372(4):719-24. doi: 10.1016/j.bbrc.2008.05.137. Epub 2008 Jun 3." Approved; Investigational; Nutraceutical 5'-deoxy-5'-thionucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides" "Supplements; Cytochrome P-450 CYP2E1 Inhibitors; Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 Enzyme Inhibitors; Amino Acids and Derivatives; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Dietary Supplements; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism" C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Methylhistidine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/15:0); Mercaptopurine Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Tyrosinemia Type I; Betaine Metabolism; Catecholamine Biosynthesis; Phenytoin (Antiarrhythmic) Action Pathway; Glycine and Serine Metabolism; Carnitine Synthesis; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Hyperprolinemia Type I; Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Arginine and Proline Metabolism; Sarcosine Oncometabolite Pathway" disease; metabolic; drug_action 46505280 PA164754994 S-Adenosyl_methionine CHEMBL1088977 9504 DB00118 Ademetionine BE0005015 AS3MT Q9HBK9 AS3MT_HUMAN 22955273; 25349987 "Wang S, Li X, Song X, Geng Z, Hu X, Wang Z: Rapid equilibrium kinetic analysis of arsenite methylation catalyzed by recombinant human arsenic (+3 oxidation state) methyltransferase (hAS3MT). J Biol Chem. 2012 Nov 9;287(46):38790-9. doi: 10.1074/jbc.M112.368050. Epub 2012 Sep 6.@@Wang S, Geng Z, Shi N, Li X, Wang Z: The functions of crucial cysteine residues in the arsenite methylation catalyzed by recombinant human arsenic (III) methyltransferase. PLoS One. 2014 Oct 28;9(10):e110924. doi: 10.1371/journal.pone.0110924. eCollection 2014." Approved; Investigational; Nutraceutical 5'-deoxy-5'-thionucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides" "Supplements; Cytochrome P-450 CYP2E1 Inhibitors; Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 Enzyme Inhibitors; Amino Acids and Derivatives; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Dietary Supplements; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism" C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Methylhistidine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/15:0); Mercaptopurine Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Tyrosinemia Type I; Betaine Metabolism; Catecholamine Biosynthesis; Phenytoin (Antiarrhythmic) Action Pathway; Glycine and Serine Metabolism; Carnitine Synthesis; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Hyperprolinemia Type I; Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Arginine and Proline Metabolism; Sarcosine Oncometabolite Pathway" disease; metabolic; drug_action 46505280 PA164754994 S-Adenosyl_methionine CHEMBL1088977 9504 DB00118 Ademetionine BE0000372 GNMT Q14749 GNMT_HUMAN cofactor 11435507; 11810299; 12221207; 12697024; 12742526 "Rowling MJ, Schalinske KL: Retinoid compounds activate and induce hepatic glycine N-methyltransferase in rats. J Nutr. 2001 Jul;131(7):1914-7.@@Luka Z, Cerone R, Phillips JA 3rd, Mudd HS, Wagner C: Mutations in human glycine N-methyltransferase give insights into its role in methionine metabolism. Hum Genet. 2002 Jan;110(1):68-74. Epub 2001 Dec 7.@@Rowling MJ, McMullen MH, Chipman DC, Schalinske KL: Hepatic glycine N-methyltransferase is up-regulated by excess dietary methionine in rats. J Nutr. 2002 Sep;132(9):2545-50.@@Moller MT, Samari HR, Fengsrud M, Stromhaug PE, oStvold AC, Seglen PO: Okadaic acid-induced, naringin-sensitive phosphorylation of glycine N-methyltransferase in isolated rat hepatocytes. Biochem J. 2003 Jul 15;373(Pt 2):505-13.@@Uthus EO, Brown-Borg HM: Altered methionine metabolism in long living Ames dwarf mice. Exp Gerontol. 2003 May;38(5):491-8." Approved; Investigational; Nutraceutical 5'-deoxy-5'-thionucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides" "Supplements; Cytochrome P-450 CYP2E1 Inhibitors; Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 Enzyme Inhibitors; Amino Acids and Derivatives; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Dietary Supplements; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism" C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Methylhistidine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/15:0); Mercaptopurine Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Tyrosinemia Type I; Betaine Metabolism; Catecholamine Biosynthesis; Phenytoin (Antiarrhythmic) Action Pathway; Glycine and Serine Metabolism; Carnitine Synthesis; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Hyperprolinemia Type I; Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Arginine and Proline Metabolism; Sarcosine Oncometabolite Pathway" disease; metabolic; drug_action 46505280 PA164754994 S-Adenosyl_methionine CHEMBL1088977 9504 DB00118 Ademetionine BE0000304 MAT2A P31153 METK2_HUMAN cofactor 11596649; 12023972; 12660248; 12671891 "Mudd SH, Cerone R, Schiaffino MC, Fantasia AR, Minniti G, Caruso U, Lorini R, Watkins D, Matiaszuk N, Rosenblatt DS, Schwahn B, Rozen R, LeGros L, Kotb M, Capdevila A, Luka Z, Finkelstein JD, Tangerman A, Stabler SP, Allen RH, Wagner C: Glycine N-methyltransferase deficiency: a novel inborn error causing persistent isolated hypermethioninaemia. J Inherit Metab Dis. 2001 Aug;24(4):448-64.@@Farrar C, Clarke S: Altered levels of S-adenosylmethionine and S-adenosylhomocysteine in the brains of L-isoaspartyl (D-Aspartyl) O-methyltransferase-deficient mice. J Biol Chem. 2002 Aug 2;277(31):27856-63. Epub 2002 May 22.@@Martinez-Chantar ML, Latasa MU, Varela-Rey M, Lu SC, Garcia-Trevijano ER, Mato JM, Avila MA: L-methionine availability regulates expression of the methionine adenosyltransferase 2A gene in human hepatocarcinoma cells: role of S-adenosylmethionine. J Biol Chem. 2003 May 30;278(22):19885-90. Epub 2003 Mar 26.@@Martinez-Chantar ML, Garcia-Trevijano ER, Latasa MU, Martin-Duce A, Fortes P, Caballeria J, Avila MA, Mato JM: Methionine adenosyltransferase II beta subunit gene expression provides a proliferative advantage in human hepatoma. Gastroenterology. 2003 Apr;124(4):940-8." Approved; Investigational; Nutraceutical 5'-deoxy-5'-thionucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides" "Supplements; Cytochrome P-450 CYP2E1 Inhibitors; Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 Enzyme Inhibitors; Amino Acids and Derivatives; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Dietary Supplements; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism" C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Methylhistidine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/15:0); Mercaptopurine Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Tyrosinemia Type I; Betaine Metabolism; Catecholamine Biosynthesis; Phenytoin (Antiarrhythmic) Action Pathway; Glycine and Serine Metabolism; Carnitine Synthesis; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Hyperprolinemia Type I; Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Arginine and Proline Metabolism; Sarcosine Oncometabolite Pathway" disease; metabolic; drug_action 46505280 PA164754994 S-Adenosyl_methionine CHEMBL1088977 9504 DB00119 Pyruvic acid BE0000449 SLC16A3 O15427 MOT4_HUMAN 16213084 "Shimada A, Nakagawa Y, Morishige H, Yamamoto A, Fujita T: Functional characteristics of H+ -dependent nicotinate transport in primary cultures of astrocytes from rat cerebral cortex. Neurosci Lett. 2006 Jan 16;392(3):207-12. Epub 2005 Oct 5." Approved; Investigational; Nutraceutical Alpha-keto acids and derivatives Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives Supplements; Keto Acids; Pyruvates; Dietary Supplements CC(=O)C(O)=O "Citrullinemia Type I; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Glycogenosis, Type IB; Argininemia; Pyruvate Kinase Deficiency; Pyruvate Carboxylase Deficiency; Amino Sugar Metabolism; The Oncogenic Action of Fumarate; 3-Phosphoglycerate Dehydrogenase Deficiency; Glycolysis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Glucose-Alanine Cycle; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Alanine Metabolism; Hyperglycinemia, Non-Ketotic; Cystinosis, Ocular Nonnephropathic; Dimethylglycine Dehydrogenase Deficiency; Glycogenosis, Type VII. Tarui Disease; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Lactic Acidemia; Homocarnosinosis; Primary Hyperoxaluria Type I; Ornithine Transcarbamylase Deficiency (OTC Deficiency); The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Sarcosinemia; Urea Cycle; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Cysteine Metabolism" disease; metabolic 46505692 PA164778686 DAP000543 Pyruvic_acid CHEMBL1162144 35161 DB00119 Pyruvic acid BE0000386 SLC16A5 O15375 MOT6_HUMAN 16604139 "Bonen A, Heynen M, Hatta H: Distribution of monocarboxylate transporters MCT1-MCT8 in rat tissues and human skeletal muscle. Appl Physiol Nutr Metab. 2006 Feb;31(1):31-9." Approved; Investigational; Nutraceutical Alpha-keto acids and derivatives Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives Supplements; Keto Acids; Pyruvates; Dietary Supplements CC(=O)C(O)=O "Citrullinemia Type I; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Glycogenosis, Type IB; Argininemia; Pyruvate Kinase Deficiency; Pyruvate Carboxylase Deficiency; Amino Sugar Metabolism; The Oncogenic Action of Fumarate; 3-Phosphoglycerate Dehydrogenase Deficiency; Glycolysis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Glucose-Alanine Cycle; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Alanine Metabolism; Hyperglycinemia, Non-Ketotic; Cystinosis, Ocular Nonnephropathic; Dimethylglycine Dehydrogenase Deficiency; Glycogenosis, Type VII. Tarui Disease; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Lactic Acidemia; Homocarnosinosis; Primary Hyperoxaluria Type I; Ornithine Transcarbamylase Deficiency (OTC Deficiency); The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Sarcosinemia; Urea Cycle; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Cysteine Metabolism" disease; metabolic 46505692 PA164778686 DAP000543 Pyruvic_acid CHEMBL1162144 35161 DB00119 Pyruvic acid BE0000174 SLC16A6 O15403 MOT7_HUMAN 16604139 "Bonen A, Heynen M, Hatta H: Distribution of monocarboxylate transporters MCT1-MCT8 in rat tissues and human skeletal muscle. Appl Physiol Nutr Metab. 2006 Feb;31(1):31-9." Approved; Investigational; Nutraceutical Alpha-keto acids and derivatives Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives Supplements; Keto Acids; Pyruvates; Dietary Supplements CC(=O)C(O)=O "Citrullinemia Type I; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Glycogenosis, Type IB; Argininemia; Pyruvate Kinase Deficiency; Pyruvate Carboxylase Deficiency; Amino Sugar Metabolism; The Oncogenic Action of Fumarate; 3-Phosphoglycerate Dehydrogenase Deficiency; Glycolysis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Glucose-Alanine Cycle; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Alanine Metabolism; Hyperglycinemia, Non-Ketotic; Cystinosis, Ocular Nonnephropathic; Dimethylglycine Dehydrogenase Deficiency; Glycogenosis, Type VII. Tarui Disease; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Lactic Acidemia; Homocarnosinosis; Primary Hyperoxaluria Type I; Ornithine Transcarbamylase Deficiency (OTC Deficiency); The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Sarcosinemia; Urea Cycle; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Cysteine Metabolism" disease; metabolic 46505692 PA164778686 DAP000543 Pyruvic_acid CHEMBL1162144 35161 DB00119 Pyruvic acid BE0000440 SLC16A7 O60669 MOT2_HUMAN 16604139; 16766717; 17556391; 16597615; 15953344 "Bonen A, Heynen M, Hatta H: Distribution of monocarboxylate transporters MCT1-MCT8 in rat tissues and human skeletal muscle. Appl Physiol Nutr Metab. 2006 Feb;31(1):31-9.@@Hinoi E, Takarada T, Tsuchihashi Y, Fujimori S, Moriguchi N, Wang L, Uno K, Yoneda Y: A molecular mechanism of pyruvate protection against cytotoxicity of reactive oxygen species in osteoblasts. Mol Pharmacol. 2006 Sep;70(3):925-35. Epub 2006 Jun 9.@@Yoshida Y, Holloway GP, Ljubicic V, Hatta H, Spriet LL, Hood DA, Bonen A: Negligible direct lactate oxidation in subsarcolemmal and intermyofibrillar mitochondria obtained from red and white rat skeletal muscle. J Physiol. 2007 Aug 1;582(Pt 3):1317-35. Epub 2007 Jun 7.@@de Laplanche E, Gouget K, Cleris G, Dragounoff F, Demont J, Morales A, Bezin L, Godinot C, Perriere G, Mouchiroud D, Simonnet H: Physiological oxygenation status is required for fully differentiated phenotype in kidney cortex proximal tubules. Am J Physiol Renal Physiol. 2006 Oct;291(4):F750-60. Epub 2006 Apr 4.@@Pierre K, Pellerin L: Monocarboxylate transporters in the central nervous system: distribution, regulation and function. J Neurochem. 2005 Jul;94(1):1-14." Approved; Investigational; Nutraceutical Alpha-keto acids and derivatives Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives Supplements; Keto Acids; Pyruvates; Dietary Supplements CC(=O)C(O)=O "Citrullinemia Type I; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Glycogenosis, Type IB; Argininemia; Pyruvate Kinase Deficiency; Pyruvate Carboxylase Deficiency; Amino Sugar Metabolism; The Oncogenic Action of Fumarate; 3-Phosphoglycerate Dehydrogenase Deficiency; Glycolysis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Glucose-Alanine Cycle; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Alanine Metabolism; Hyperglycinemia, Non-Ketotic; Cystinosis, Ocular Nonnephropathic; Dimethylglycine Dehydrogenase Deficiency; Glycogenosis, Type VII. Tarui Disease; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Lactic Acidemia; Homocarnosinosis; Primary Hyperoxaluria Type I; Ornithine Transcarbamylase Deficiency (OTC Deficiency); The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Sarcosinemia; Urea Cycle; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Cysteine Metabolism" disease; metabolic 46505692 PA164778686 DAP000543 Pyruvic_acid CHEMBL1162144 35161 DB00119 Pyruvic acid BE0000088 PKM P14618 KPYM_HUMAN 16132722; 17308100; 16741870; 17587357; 16375581 "Li Y, Chang Y, Zhang L, Feng Q, Liu Z, Zhang Y, Zuo J, Meng Y, Fang F: High glucose upregulates pantothenate kinase 4 (PanK4) and thus affects M2-type pyruvate kinase (Pkm2). Mol Cell Biochem. 2005 Sep;277(1-2):117-25.@@Stetak A, Veress R, Ovadi J, Csermely P, Keri G, Ullrich A: Nuclear translocation of the tumor marker pyruvate kinase M2 induces programmed cell death. Cancer Res. 2007 Feb 15;67(4):1602-8.@@Vlaeminck-Guillem V, Safi R, Guillem P, Leteurtre E, Duterque-Coquillaud M, Laudet V: Thyroid hormone receptor expression in the obligatory paedomorphic salamander Necturus maculosus. Int J Dev Biol. 2006;50(6):553-60.@@Weinberger R, Appel B, Stein A, Metz Y, Neheman A, Barak M: The pyruvate kinase isoenzyme M2 (Tu M2-PK) as a tumour marker for renal cell carcinoma. Eur J Cancer Care (Engl). 2007 Jul;16(4):333-7.@@Staib P, Hoffmann M, Schinkothe T: Plasma levels of tumor M2-pyruvate kinase should not be used as a tumor marker for hematological malignancies and solid tumors. Clin Chem Lab Med. 2006;44(1):28-31." Approved; Investigational; Nutraceutical Alpha-keto acids and derivatives Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives Supplements; Keto Acids; Pyruvates; Dietary Supplements CC(=O)C(O)=O "Citrullinemia Type I; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Glycogenosis, Type IB; Argininemia; Pyruvate Kinase Deficiency; Pyruvate Carboxylase Deficiency; Amino Sugar Metabolism; The Oncogenic Action of Fumarate; 3-Phosphoglycerate Dehydrogenase Deficiency; Glycolysis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Glucose-Alanine Cycle; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Alanine Metabolism; Hyperglycinemia, Non-Ketotic; Cystinosis, Ocular Nonnephropathic; Dimethylglycine Dehydrogenase Deficiency; Glycogenosis, Type VII. Tarui Disease; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Lactic Acidemia; Homocarnosinosis; Primary Hyperoxaluria Type I; Ornithine Transcarbamylase Deficiency (OTC Deficiency); The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Sarcosinemia; Urea Cycle; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Cysteine Metabolism" disease; metabolic 46505692 PA164778686 DAP000543 Pyruvic_acid CHEMBL1162144 35161 DB00119 Pyruvic acid BE0000195 SLC16A4 O15374 MOT5_HUMAN 17275903; 16110503; 16604139; 15953344; 16213084 "Kay HH, Zhu S, Tsoi S: Hypoxia and lactate production in trophoblast cells. Placenta. 2007 Aug-Sep;28(8-9):854-60. Epub 2007 Feb 2.@@Han M, Trotta P, Coleman C, Linask KK: MCT-4, A511/Basigin and EF5 expression patterns during early chick cardiomyogenesis indicate cardiac cell differentiation occurs in a hypoxic environment. Dev Dyn. 2006 Jan;235(1):124-31.@@Bonen A, Heynen M, Hatta H: Distribution of monocarboxylate transporters MCT1-MCT8 in rat tissues and human skeletal muscle. Appl Physiol Nutr Metab. 2006 Feb;31(1):31-9.@@Pierre K, Pellerin L: Monocarboxylate transporters in the central nervous system: distribution, regulation and function. J Neurochem. 2005 Jul;94(1):1-14.@@Shimada A, Nakagawa Y, Morishige H, Yamamoto A, Fujita T: Functional characteristics of H+ -dependent nicotinate transport in primary cultures of astrocytes from rat cerebral cortex. Neurosci Lett. 2006 Jan 16;392(3):207-12. Epub 2005 Oct 5." Approved; Investigational; Nutraceutical Alpha-keto acids and derivatives Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives Supplements; Keto Acids; Pyruvates; Dietary Supplements CC(=O)C(O)=O "Citrullinemia Type I; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Glycogenosis, Type IB; Argininemia; Pyruvate Kinase Deficiency; Pyruvate Carboxylase Deficiency; Amino Sugar Metabolism; The Oncogenic Action of Fumarate; 3-Phosphoglycerate Dehydrogenase Deficiency; Glycolysis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Glucose-Alanine Cycle; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Alanine Metabolism; Hyperglycinemia, Non-Ketotic; Cystinosis, Ocular Nonnephropathic; Dimethylglycine Dehydrogenase Deficiency; Glycogenosis, Type VII. Tarui Disease; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Lactic Acidemia; Homocarnosinosis; Primary Hyperoxaluria Type I; Ornithine Transcarbamylase Deficiency (OTC Deficiency); The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Sarcosinemia; Urea Cycle; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Cysteine Metabolism" disease; metabolic 46505692 PA164778686 DAP000543 Pyruvic_acid CHEMBL1162144 35161 DB00120 Phenylalanine BE0000789 SLC7A8 Q9UHI5 LAT2_HUMAN 12101005; 10574970; 12930836; 9349567; 12498902 "Shennan DB, Calvert DT, Travers MT, Kudo Y, Boyd CA: A study of L-leucine, L-phenylalanine and L-alanine transport in the perfused rat mammary gland: possible involvement of LAT1 and LAT2. Biochim Biophys Acta. 2002 Aug 19;1564(1):133-9.@@Rossier G, Meier C, Bauch C, Summa V, Sordat B, Verrey F, Kuhn LC: LAT2, a new basolateral 4F2hc/CD98-associated amino acid transporter of kidney and intestine. J Biol Chem. 1999 Dec 3;274(49):34948-54.@@Babu E, Kanai Y, Chairoungdua A, Kim DK, Iribe Y, Tangtrongsup S, Jutabha P, Li Y, Ahmed N, Sakamoto S, Anzai N, Nagamori S, Endou H: Identification of a novel system L amino acid transporter structurally distinct from heterodimeric amino acid transporters. J Biol Chem. 2003 Oct 31;278(44):43838-45. Epub 2003 Aug 20.@@Satoh S, Kimura T, Toda M, Maekawa M, Ono S, Narita H, Miyazaki H, Murayama T, Nomura Y: Involvement of L-type-like amino acid transporters in S-nitrosocysteine-stimulated noradrenaline release in the rat hippocampus. J Neurochem. 1997 Nov;69(5):2197-205.@@Nemoto T, Shimma N, Horie S, Saito T, Okuma Y, Nomura Y, Murayama T: Involvement of the system L amino acid transporter on uptake of S-nitroso-L-cysteine, an endogenous S-nitrosothiol, in PC12 cells. Eur J Pharmacol. 2003 Jan 1;458(1-2):17-24." Approved; Investigational; Nutraceutical Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Immunosuppressive Agents; Myelosuppressive Agents; Proteinogenic Amino Acids; Amino Acids, Cyclic; Amino Acids, Essential; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic" N[C@@H](CC1=CC=CC=C1)C(O)=O Phenylalanine and Tyrosine Metabolism; Tyrosinemia Type 2 (or Richner-Hanhart Syndrome); Tyrosinemia Type 3 (TYRO3); Phenylketonuria disease; metabolic 750 46505708 D00021 PA450931 DAP000807 Phenylalanine CHEMBL301523 8156 DB00120 Phenylalanine BE0000038 FARSA Q9Y285 SYFA_HUMAN 17139284; 17016423; 16969782; 16338408 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kodama K, Fukuzawa S, Sakamoto K, Nakayama H, Kigawa T, Yabuki T, Matsuda N, Shirouzu M, Takio K, Tachibana K, Yokoyama S: A new protein engineering approach combining chemistry and biology, part I; site-specific incorporation of 4-iodo-L-phenylalanine in vitro by using misacylated suppressor tRNAPhe. Chembiochem. 2006 Oct;7(10):1577-81.@@Kotik-Kogan O, Moor N, Tworowski D, Safro M: Structural basis for discrimination of L-phenylalanine from L-tyrosine by phenylalanyl-tRNA synthetase. Structure. 2005 Dec;13(12):1799-807." Approved; Investigational; Nutraceutical Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Immunosuppressive Agents; Myelosuppressive Agents; Proteinogenic Amino Acids; Amino Acids, Cyclic; Amino Acids, Essential; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic" N[C@@H](CC1=CC=CC=C1)C(O)=O Phenylalanine and Tyrosine Metabolism; Tyrosinemia Type 2 (or Richner-Hanhart Syndrome); Tyrosinemia Type 3 (TYRO3); Phenylketonuria disease; metabolic 750 46505708 D00021 PA450931 DAP000807 Phenylalanine CHEMBL301523 8156 DB00120 Phenylalanine BE0000028 FARS2 O95363 SYFM_HUMAN 17139284; 17016423; 16969782; 16338408 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kodama K, Fukuzawa S, Sakamoto K, Nakayama H, Kigawa T, Yabuki T, Matsuda N, Shirouzu M, Takio K, Tachibana K, Yokoyama S: A new protein engineering approach combining chemistry and biology, part I; site-specific incorporation of 4-iodo-L-phenylalanine in vitro by using misacylated suppressor tRNAPhe. Chembiochem. 2006 Oct;7(10):1577-81.@@Kotik-Kogan O, Moor N, Tworowski D, Safro M: Structural basis for discrimination of L-phenylalanine from L-tyrosine by phenylalanyl-tRNA synthetase. Structure. 2005 Dec;13(12):1799-807." Approved; Investigational; Nutraceutical Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Immunosuppressive Agents; Myelosuppressive Agents; Proteinogenic Amino Acids; Amino Acids, Cyclic; Amino Acids, Essential; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic" N[C@@H](CC1=CC=CC=C1)C(O)=O Phenylalanine and Tyrosine Metabolism; Tyrosinemia Type 2 (or Richner-Hanhart Syndrome); Tyrosinemia Type 3 (TYRO3); Phenylketonuria disease; metabolic 750 46505708 D00021 PA450931 DAP000807 Phenylalanine CHEMBL301523 8156 DB00120 Phenylalanine BE0000561 FARSB Q9NSD9 SYFB_HUMAN 16338408 "Kotik-Kogan O, Moor N, Tworowski D, Safro M: Structural basis for discrimination of L-phenylalanine from L-tyrosine by phenylalanyl-tRNA synthetase. Structure. 2005 Dec;13(12):1799-807." Approved; Investigational; Nutraceutical Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Immunosuppressive Agents; Myelosuppressive Agents; Proteinogenic Amino Acids; Amino Acids, Cyclic; Amino Acids, Essential; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic" N[C@@H](CC1=CC=CC=C1)C(O)=O Phenylalanine and Tyrosine Metabolism; Tyrosinemia Type 2 (or Richner-Hanhart Syndrome); Tyrosinemia Type 3 (TYRO3); Phenylketonuria disease; metabolic 750 46505708 D00021 PA450931 DAP000807 Phenylalanine CHEMBL301523 8156 DB00121 Biotin BE0000544 PCCB P05166 PCCB_HUMAN cofactor 17139284; 17016423; 15623830; 9311592; 14997352; 16772434 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Vlasova TI, Stratton SL, Wells AM, Mock NI, Mock DM: Biotin deficiency reduces expression of SLC19A3, a potential biotin transporter, in leukocytes from human blood. J Nutr. 2005 Jan;135(1):42-7.@@Cherbonnel-Lasserre CL, Linares-Cruz G, Rigaut JP, Sabatier L, Dutrillaux B: Strong decrease in biotin content may correlate with metabolic alterations in colorectal adenocarcinoma. Int J Cancer. 1997 Sep 4;72(5):768-75.@@Ishii M, Chuakrut S, Arai H, Igarashi Y: Occurrence, biochemistry and possible biotechnological application of the 3-hydroxypropionate cycle. Appl Microbiol Biotechnol. 2004 Jun;64(5):605-10. Epub 2004 Feb 28.@@Hassan YI, Zempleni J: Epigenetic regulation of chromatin structure and gene function by biotin. J Nutr. 2006 Jul;136(7):1763-5." Approved; Investigational; Nutraceutical Biotin and derivatives Organic compounds; Organoheterocyclic compounds; Biotin and derivatives "Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Growth Substances; Food; Imidazoles; Dietary Supplements; Alimentary Tract and Metabolism; Micronutrients" [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2 "Mitochondrial Complex II Deficiency; 3-Methylglutaconic Aciduria Type III; 2-Ketoglutarate Dehydrogenase Complex Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Isovaleric Aciduria; Pyruvate Carboxylase Deficiency; Warburg Effect; Isobutyryl-CoA Dehydrogenase Deficiency; Biotin Metabolism; Fructose-1,6-diphosphatase Deficiency; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Propionic Acidemia; Transfer of Acetyl Groups into Mitochondria; Malonic Aciduria; 2-Hydroxyglutric Aciduria (D and L Form); 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Congenital Lactic Acidosis; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Fumarase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Alanine Metabolism; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Lactic Acidemia; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Primary Hyperoxaluria Type I; Triosephosphate Isomerase; The Oncogenic Action of 2-Hydroxyglutarate; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease" disease; metabolic 4962 46508694 D00029 PA448625 Biotin CHEMBL857 1588 DB00121 Biotin BE0000159 HLCS P50747 BPL1_HUMAN substrate 16359899; 16772434; 17056793 "Velazquez-Arellano A: From an inborn error patient to a search for regulatory meaning: a biotin conducted voyage. Mol Genet Metab. 2006 Mar;87(3):194-7. Epub 2005 Dec 15.@@Hassan YI, Zempleni J: Epigenetic regulation of chromatin structure and gene function by biotin. J Nutr. 2006 Jul;136(7):1763-5.@@Camporeale G, Giordano E, Rendina R, Zempleni J, Eissenberg JC: Drosophila melanogaster holocarboxylase synthetase is a chromosomal protein required for normal histone biotinylation, gene transcription patterns, lifespan, and heat tolerance. J Nutr. 2006 Nov;136(11):2735-42." Approved; Investigational; Nutraceutical Biotin and derivatives Organic compounds; Organoheterocyclic compounds; Biotin and derivatives "Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Growth Substances; Food; Imidazoles; Dietary Supplements; Alimentary Tract and Metabolism; Micronutrients" [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2 "Mitochondrial Complex II Deficiency; 3-Methylglutaconic Aciduria Type III; 2-Ketoglutarate Dehydrogenase Complex Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Isovaleric Aciduria; Pyruvate Carboxylase Deficiency; Warburg Effect; Isobutyryl-CoA Dehydrogenase Deficiency; Biotin Metabolism; Fructose-1,6-diphosphatase Deficiency; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Propionic Acidemia; Transfer of Acetyl Groups into Mitochondria; Malonic Aciduria; 2-Hydroxyglutric Aciduria (D and L Form); 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Congenital Lactic Acidosis; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Fumarase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Alanine Metabolism; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Lactic Acidemia; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Primary Hyperoxaluria Type I; Triosephosphate Isomerase; The Oncogenic Action of 2-Hydroxyglutarate; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease" disease; metabolic 4962 46508694 D00029 PA448625 Biotin CHEMBL857 1588 DB00121 Biotin BE0000072 MCCC2 Q9HCC0 MCCB_HUMAN cofactor 16707089; 17266990; 17254330; 17659996; 16772434 "Santoro N, Brtva T, Roest SV, Siegel K, Waldrop GL: A high-throughput screening assay for the carboxyltransferase subunit of acetyl-CoA carboxylase. Anal Biochem. 2006 Jul 1;354(1):70-7. Epub 2006 May 3.@@de Queiroz MS, Waldrop GL: Modeling and numerical simulation of biotin carboxylase kinetics: implications for half-sites reactivity. J Theor Biol. 2007 May 7;246(1):167-75. Epub 2006 Dec 28.@@Ludke A, Kramer R, Burkovski A, Schluesener D, Poetsch A: A proteomic study of Corynebacterium glutamicum AAA+ protease FtsH. BMC Microbiol. 2007 Jan 25;7:6.@@Jitrapakdee S, Surinya KH, Adina-Zada A, Polyak SW, Stojkoski C, Smyth R, Booker GW, Cleland WW, Attwood PV, Wallace JC: Conserved Glu40 and Glu433 of the biotin carboxylase domain of yeast pyruvate carboxylase I isoenzyme are essential for the association of tetramers. Int J Biochem Cell Biol. 2007;39(11):2120-34. Epub 2007 Jun 27.@@Hassan YI, Zempleni J: Epigenetic regulation of chromatin structure and gene function by biotin. J Nutr. 2006 Jul;136(7):1763-5." Approved; Investigational; Nutraceutical Biotin and derivatives Organic compounds; Organoheterocyclic compounds; Biotin and derivatives "Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Growth Substances; Food; Imidazoles; Dietary Supplements; Alimentary Tract and Metabolism; Micronutrients" [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2 "Mitochondrial Complex II Deficiency; 3-Methylglutaconic Aciduria Type III; 2-Ketoglutarate Dehydrogenase Complex Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Isovaleric Aciduria; Pyruvate Carboxylase Deficiency; Warburg Effect; Isobutyryl-CoA Dehydrogenase Deficiency; Biotin Metabolism; Fructose-1,6-diphosphatase Deficiency; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Propionic Acidemia; Transfer of Acetyl Groups into Mitochondria; Malonic Aciduria; 2-Hydroxyglutric Aciduria (D and L Form); 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Congenital Lactic Acidosis; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Fumarase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Alanine Metabolism; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Lactic Acidemia; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Primary Hyperoxaluria Type I; Triosephosphate Isomerase; The Oncogenic Action of 2-Hydroxyglutarate; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease" disease; metabolic 4962 46508694 D00029 PA448625 Biotin CHEMBL857 1588 DB00121 Biotin BE0000702 ACACB O00763 ACACB_HUMAN cofactor 17477831; 16772434 "Liu Y, Zalameda L, Kim KW, Wang M, McCarter JD: Discovery of acetyl-coenzyme A carboxylase 2 inhibitors: comparison of a fluorescence intensity-based phosphate assay and a fluorescence polarization-based ADP Assay for high-throughput screening. Assay Drug Dev Technol. 2007 Apr;5(2):225-35.@@Hassan YI, Zempleni J: Epigenetic regulation of chromatin structure and gene function by biotin. J Nutr. 2006 Jul;136(7):1763-5." Approved; Investigational; Nutraceutical Biotin and derivatives Organic compounds; Organoheterocyclic compounds; Biotin and derivatives "Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Growth Substances; Food; Imidazoles; Dietary Supplements; Alimentary Tract and Metabolism; Micronutrients" [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2 "Mitochondrial Complex II Deficiency; 3-Methylglutaconic Aciduria Type III; 2-Ketoglutarate Dehydrogenase Complex Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Isovaleric Aciduria; Pyruvate Carboxylase Deficiency; Warburg Effect; Isobutyryl-CoA Dehydrogenase Deficiency; Biotin Metabolism; Fructose-1,6-diphosphatase Deficiency; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Propionic Acidemia; Transfer of Acetyl Groups into Mitochondria; Malonic Aciduria; 2-Hydroxyglutric Aciduria (D and L Form); 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Congenital Lactic Acidosis; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Fumarase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Alanine Metabolism; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Lactic Acidemia; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Primary Hyperoxaluria Type I; Triosephosphate Isomerase; The Oncogenic Action of 2-Hydroxyglutarate; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease" disease; metabolic 4962 46508694 D00029 PA448625 Biotin CHEMBL857 1588 DB00121 Biotin BE0000445 MCCC1 Q96RQ3 MCCA_HUMAN cofactor 16773504; 16772434 "Friebel D, von der Hagen M, Baumgartner ER, Fowler B, Hahn G, Feyh P, Heubner G, Baumgartner MR, Hoffmann GF: The first case of 3-methylcrotonyl-CoA carboxylase (MCC) deficiency responsive to biotin. Neuropediatrics. 2006 Apr;37(2):72-8.@@Hassan YI, Zempleni J: Epigenetic regulation of chromatin structure and gene function by biotin. J Nutr. 2006 Jul;136(7):1763-5." Approved; Investigational; Nutraceutical Biotin and derivatives Organic compounds; Organoheterocyclic compounds; Biotin and derivatives "Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Growth Substances; Food; Imidazoles; Dietary Supplements; Alimentary Tract and Metabolism; Micronutrients" [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2 "Mitochondrial Complex II Deficiency; 3-Methylglutaconic Aciduria Type III; 2-Ketoglutarate Dehydrogenase Complex Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Isovaleric Aciduria; Pyruvate Carboxylase Deficiency; Warburg Effect; Isobutyryl-CoA Dehydrogenase Deficiency; Biotin Metabolism; Fructose-1,6-diphosphatase Deficiency; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Propionic Acidemia; Transfer of Acetyl Groups into Mitochondria; Malonic Aciduria; 2-Hydroxyglutric Aciduria (D and L Form); 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Congenital Lactic Acidosis; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Fumarase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Alanine Metabolism; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Lactic Acidemia; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Primary Hyperoxaluria Type I; Triosephosphate Isomerase; The Oncogenic Action of 2-Hydroxyglutarate; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease" disease; metabolic 4962 46508694 D00029 PA448625 Biotin CHEMBL857 1588 DB00121 Biotin BE0000492 PCCA P05165 PCCA_HUMAN cofactor 17139284; 17016423; 12385775; 9311592; 15623830; 16772434 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Clavero S, Martinez MA, Perez B, Perez-Cerda C, Ugarte M, Desviat LR: Functional characterization of PCCA mutations causing propionic acidemia. Biochim Biophys Acta. 2002 Nov 20;1588(2):119-25.@@Cherbonnel-Lasserre CL, Linares-Cruz G, Rigaut JP, Sabatier L, Dutrillaux B: Strong decrease in biotin content may correlate with metabolic alterations in colorectal adenocarcinoma. Int J Cancer. 1997 Sep 4;72(5):768-75.@@Vlasova TI, Stratton SL, Wells AM, Mock NI, Mock DM: Biotin deficiency reduces expression of SLC19A3, a potential biotin transporter, in leukocytes from human blood. J Nutr. 2005 Jan;135(1):42-7.@@Hassan YI, Zempleni J: Epigenetic regulation of chromatin structure and gene function by biotin. J Nutr. 2006 Jul;136(7):1763-5." Approved; Investigational; Nutraceutical Biotin and derivatives Organic compounds; Organoheterocyclic compounds; Biotin and derivatives "Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Growth Substances; Food; Imidazoles; Dietary Supplements; Alimentary Tract and Metabolism; Micronutrients" [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2 "Mitochondrial Complex II Deficiency; 3-Methylglutaconic Aciduria Type III; 2-Ketoglutarate Dehydrogenase Complex Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Isovaleric Aciduria; Pyruvate Carboxylase Deficiency; Warburg Effect; Isobutyryl-CoA Dehydrogenase Deficiency; Biotin Metabolism; Fructose-1,6-diphosphatase Deficiency; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Propionic Acidemia; Transfer of Acetyl Groups into Mitochondria; Malonic Aciduria; 2-Hydroxyglutric Aciduria (D and L Form); 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Congenital Lactic Acidosis; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Fumarase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Alanine Metabolism; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Lactic Acidemia; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Primary Hyperoxaluria Type I; Triosephosphate Isomerase; The Oncogenic Action of 2-Hydroxyglutarate; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease" disease; metabolic 4962 46508694 D00029 PA448625 Biotin CHEMBL857 1588 DB00121 Biotin BE0000626 ACACA Q13085 ACACA_HUMAN cofactor 16460018; 16545081; 16636450; 16707089; 17468269; 16772434 "Bilder P, Lightle S, Bainbridge G, Ohren J, Finzel B, Sun F, Holley S, Al-Kassim L, Spessard C, Melnick M, Newcomer M, Waldrop GL: The structure of the carboxyltransferase component of acetyl-coA carboxylase reveals a zinc-binding motif unique to the bacterial enzyme. Biochemistry. 2006 Feb 14;45(6):1712-22.@@Brownsey RW, Boone AN, Elliott JE, Kulpa JE, Lee WM: Regulation of acetyl-CoA carboxylase. Biochem Soc Trans. 2006 Apr;34(Pt 2):223-7.@@Aoki H, Kimura K, Igarashi K, Takenaka A: Soy protein suppresses gene expression of acetyl-coA carboxylase alpha from promoter PI in rat liver. Biosci Biotechnol Biochem. 2006 Apr;70(4):843-9.@@Santoro N, Brtva T, Roest SV, Siegel K, Waldrop GL: A high-throughput screening assay for the carboxyltransferase subunit of acetyl-CoA carboxylase. Anal Biochem. 2006 Jul 1;354(1):70-7. Epub 2006 May 3.@@Leonard E, Lim KH, Saw PN, Koffas MA: Engineering central metabolic pathways for high-level flavonoid production in Escherichia coli. Appl Environ Microbiol. 2007 Jun;73(12):3877-86. Epub 2007 Apr 27.@@Hassan YI, Zempleni J: Epigenetic regulation of chromatin structure and gene function by biotin. J Nutr. 2006 Jul;136(7):1763-5." Approved; Investigational; Nutraceutical Biotin and derivatives Organic compounds; Organoheterocyclic compounds; Biotin and derivatives "Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Growth Substances; Food; Imidazoles; Dietary Supplements; Alimentary Tract and Metabolism; Micronutrients" [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2 "Mitochondrial Complex II Deficiency; 3-Methylglutaconic Aciduria Type III; 2-Ketoglutarate Dehydrogenase Complex Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Isovaleric Aciduria; Pyruvate Carboxylase Deficiency; Warburg Effect; Isobutyryl-CoA Dehydrogenase Deficiency; Biotin Metabolism; Fructose-1,6-diphosphatase Deficiency; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Propionic Acidemia; Transfer of Acetyl Groups into Mitochondria; Malonic Aciduria; 2-Hydroxyglutric Aciduria (D and L Form); 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Congenital Lactic Acidosis; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Fumarase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Alanine Metabolism; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Lactic Acidemia; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Primary Hyperoxaluria Type I; Triosephosphate Isomerase; The Oncogenic Action of 2-Hydroxyglutarate; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease" disease; metabolic 4962 46508694 D00029 PA448625 Biotin CHEMBL857 1588 DB00122 Choline BE0000615 PCYT1A P49585 PCY1A_HUMAN product of 17184542; 17218027 "Enaw JO, Zhu H, Yang W, Lu W, Shaw GM, Lammer EJ, Finnell RH: CHKA and PCYT1A gene polymorphisms, choline intake and spina bifida risk in a California population. BMC Med. 2006 Dec 21;4:36.@@Li L, She H, Yue SJ, Qin XQ, Guan CX, Liu HJ, Luo ZQ: Role of c-fos gene in vasoactive intestinal peptide promoted synthesis of pulmonary surfactant phospholipids. Regul Pept. 2007 May 3;140(3):117-24. Epub 2007 Jan 10." Approved; Nutraceutical Cholines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts Supplements; Quaternary Ammonium Compounds; Vitamins; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Antimetabolites; Other Nutritional Agents; Dietary Supplements; Gastrointestinal Agents; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Vitamin B Complex; Alcohols; Lipid Regulating Agents; Onium Compounds; Analgesics; Hypolipidemic Agents; Nootropic Agents; Lipotropic Agents; Central Nervous System Agents; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System C[N+](C)(C)CCO "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Betaine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Sarcosine Oncometabolite Pathway; Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))" disease; metabolic 4949 46508132 D07690 PA448976 Choline CHEMBL920 2449 DB00122 Choline BE0002179 PLD2 O14939 PLD2_HUMAN product of 16179605; 16459925; 17627030; 16921342; 16878701 "Lee JS, Kim JH, Jang IH, Kim HS, Han JM, Kazlauskas A, Yagisawa H, Suh PG, Ryu SH: Phosphatidylinositol (3,4,5)-trisphosphate specifically interacts with the phox homology domain of phospholipase D1 and stimulates its activity. J Cell Sci. 2005 Oct 1;118(Pt 19):4405-13.@@Singh AT, Frohman MA, Stern PH: Parathyroid hormone stimulates phosphatidylethanolamine hydrolysis by phospholipase D in osteoblastic cells. Lipids. 2005 Nov;40(11):1135-40.@@Paruch S, Heinis M, Lemay J, Hoeffel G, Maranon C, Hosmalin A, Perianin A: CCR5 signaling through phospholipase D involves p44/42 MAP-kinases and promotes HIV-1 LTR-directed gene expression. FASEB J. 2007 Dec;21(14):4038-46. Epub 2007 Jul 12.@@Szumilo M, Rahden-Staron I: [Phospholipase D in mammalian cells: structure, properties, physiological and pathological role]. Postepy Hig Med Dosw (Online). 2006;60:421-30.@@Fensome-Green A, Cockcroft S: Reconstitution system based on cytosol-depleted cells to study the regulation of phospholipase D. Methods Mol Biol. 2006;332:299-310." Approved; Nutraceutical Cholines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts Supplements; Quaternary Ammonium Compounds; Vitamins; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Antimetabolites; Other Nutritional Agents; Dietary Supplements; Gastrointestinal Agents; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Vitamin B Complex; Alcohols; Lipid Regulating Agents; Onium Compounds; Analgesics; Hypolipidemic Agents; Nootropic Agents; Lipotropic Agents; Central Nervous System Agents; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System C[N+](C)(C)CCO "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Betaine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Sarcosine Oncometabolite Pathway; Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))" disease; metabolic 4949 46508132 D07690 PA448976 Choline CHEMBL920 2449 DB00122 Choline BE0002180 BCHE P06276 CHLE_HUMAN product of 17329059; 16297435; 17636231; 17390078; 16376069 "Hsieh BC, Matsumoto K, Cheng TJ, Yuu G, Chen RL: Choline biosensor constructed with chitinous membrane from soldier crab and its application in measuring cholinesterase inhibitory activities. J Pharm Biomed Anal. 2007 Nov 30;45(4):673-8. Epub 2007 Jan 24.@@Amenta F, Tayebati SK, Vitali D, Di Tullio MA: Association with the cholinergic precursor choline alphoscerate and the cholinesterase inhibitor rivastigmine: an approach for enhancing cholinergic neurotransmission. Mech Ageing Dev. 2006 Feb;127(2):173-9. Epub 2005 Nov 16.@@Lurie S, Sadan O, Oron G, Fux A, Boaz M, Ezri T, Golan A, Bar J: Reduced pseudocholinesterase activity in patients with HELLP syndrome. Reprod Sci. 2007 Feb;14(2):192-6.@@Calaf GM, Roy D: Gene expression signature of parathion-transformed human breast epithelial cells. Int J Mol Med. 2007 May;19(5):741-50.@@Stoytcheva M, Zlatev R, Valdez B, Magnin JP, Velkova Z: Electrochemical sensor based on Arthrobacter globiformis for cholinesterase activity determination. Biosens Bioelectron. 2006 Jul 15;22(1):1-9. Epub 2005 Dec 20." Approved; Nutraceutical Cholines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts Supplements; Quaternary Ammonium Compounds; Vitamins; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Antimetabolites; Other Nutritional Agents; Dietary Supplements; Gastrointestinal Agents; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Vitamin B Complex; Alcohols; Lipid Regulating Agents; Onium Compounds; Analgesics; Hypolipidemic Agents; Nootropic Agents; Lipotropic Agents; Central Nervous System Agents; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System C[N+](C)(C)CCO "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Betaine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Sarcosine Oncometabolite Pathway; Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))" disease; metabolic 4949 46508132 D07690 PA448976 Choline CHEMBL920 2449 DB00122 Choline BE0002181 PLD1 Q13393 PLD1_HUMAN product of 16179605 "Lee JS, Kim JH, Jang IH, Kim HS, Han JM, Kazlauskas A, Yagisawa H, Suh PG, Ryu SH: Phosphatidylinositol (3,4,5)-trisphosphate specifically interacts with the phox homology domain of phospholipase D1 and stimulates its activity. J Cell Sci. 2005 Oct 1;118(Pt 19):4405-13." Approved; Nutraceutical Cholines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts Supplements; Quaternary Ammonium Compounds; Vitamins; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Antimetabolites; Other Nutritional Agents; Dietary Supplements; Gastrointestinal Agents; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Vitamin B Complex; Alcohols; Lipid Regulating Agents; Onium Compounds; Analgesics; Hypolipidemic Agents; Nootropic Agents; Lipotropic Agents; Central Nervous System Agents; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System C[N+](C)(C)CCO "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Betaine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Sarcosine Oncometabolite Pathway; Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))" disease; metabolic 4949 46508132 D07690 PA448976 Choline CHEMBL920 2449 DB00123 Lysine BE0000562 SLC7A2 P52569 CTR2_HUMAN 17139284; 17016423; 7499219; 15746185; 12475743 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Low BC, Grigor MR: Angiotensin II stimulates system y+ and cationic amino acid transporter gene expression in cultured vascular smooth muscle cells. J Biol Chem. 1995 Nov 17;270(46):27577-83.@@Rotoli BM, Bussolati O, Sala R, Gazzola GC, Dall'Asta V: The transport of cationic amino acids in human airway cells: expression of system y+L activity and transepithelial delivery of NOS inhibitors. FASEB J. 2005 May;19(7):810-2. Epub 2005 Mar 3.@@Schwartz D, Schwartz IF, Gnessin E, Wollman Y, Chernichovsky T, Blum M, Iaina A: Differential regulation of glomerular arginine transporters (CAT-1 and CAT-2) in lipopolysaccharide-treated rats. Am J Physiol Renal Physiol. 2003 Apr;284(4):F788-95. Epub 2002 Dec 10." Approved; Nutraceutical L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; I.V. Solution Additives; Amino Acids, Essential; Amino Acids, Peptides, and Proteins; Blood and Blood Forming Organs; Lysine; Detoxifying Agents for Antineoplastic Treatment; Dietary Supplements; Amino Acids, Diamino" NCCCC[C@H](N)C(O)=O "Multiple Carboxylase Deficiency, Neonatal or Early Onset Form; Biotin Metabolism; Glutaric Aciduria Type I; 2-Aminoadipic 2-Oxoadipic Aciduria; Hyperlysinemia II or Saccharopinuria; Hyperlysinemia I, Familial; Saccharopinuria/Hyperlysinemia II; Carnitine Synthesis; Lysine Degradation; Biotinidase Deficiency; Pyridoxine Dependency with Seizures" disease; metabolic 2396 46504770 D02304 PA450280 Lysine CHEMBL8085 6536 DB00125 Arginine BE0000448 AZIN2 Q96A70 AZIN2_HUMAN 16703907; 17025265; 17287563; 17653850 "Kotil K, Kuscuoglu U, Kirali M, Uzun H, Akcetin M, Bilge T: Investigation of the dose-dependent neuroprotective effects of agmatine in experimental spinal cord injury: a prospective randomized and placebo-control trial. J Neurosurg Spine. 2006 May;4(5):392-9.@@Regunathan S: Agmatine: biological role and therapeutic potentials in morphine analgesia and dependence. AAPS J. 2006 Jul 21;8(3):E479-84.@@Yang HQ, Gao HJ: [Physiological function of arginine and its metabolites in plants]. Zhi Wu Sheng Li Yu Fen Zi Sheng Wu Xue Xue Bao. 2007 Feb;33(1):1-8.@@Wu N, Su RB, Li J: Agmatine and imidazoline receptors: their role in opioid analgesia, tolerance and dependence. Cell Mol Neurobiol. 2008 Aug;28(5):629-41. Epub 2007 Jul 25." Investigational; Nutraceutical L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Fatty Acids, Volatile; Blood Substitutes and Perfusion Solutions; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Supplements; I.V. Solution Additives; Pituitary Function; Amino Acids, Peptides, and Proteins; Arginine; Blood and Blood Forming Organs; Lipids; Acids, Acyclic; Detoxifying Agents for Antineoplastic Treatment; Fatty Acids; Dietary Supplements; Amino Acids, Diamino" N[C@@H](CCCNC(N)=N)C(O)=O "Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; 3-Phosphoglycerate Dehydrogenase Deficiency; Non-Ketotic Hyperglycinemia; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Dimethylglycine Dehydrogenase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle; Sarcosinemia" disease; metabolic; signaling 10242 46507180 D02982 PA448478 Arginine CHEMBL1485 1091 DB00125 Arginine BE0000005 NOS2 P35228 NOS2_HUMAN 16778961; 17362916; 17363779; 17340133; 17513447 "Cui YY, Tang CS, Geng B: [Restraint stress down-regulates L-Arg/NOS/NO pathway of platelet and aortic intima in rats]. Beijing Da Xue Xue Bao. 2006 Jun 18;38(3):231-5.@@Devan BD, Pistell PJ, Daffin LW Jr, Nelson CM, Duffy KB, Bowker JL, Bharati IS, Sierra-Mercado D, Spangler EL, Ingram DK: Sildenafil citrate attenuates a complex maze impairment induced by intracerebroventricular infusion of the NOS inhibitor Nomega-nitro-L-arginine methyl ester. Eur J Pharmacol. 2007 Jun 1;563(1-3):134-40. Epub 2007 Feb 17.@@Rotoli BM, Dall'asta V, Barilli A, D'Ippolito R, Tipa A, Olivieri D, Gazzola GC, Bussolati O: Alveolar macrophages from normal subjects lack the NOS-related system y+ for arginine transport. Am J Respir Cell Mol Biol. 2007 Jul;37(1):105-12. Epub 2007 Mar 15.@@Kagemann G, Sies H, Schnorr O: Limited availability of L-arginine increases DNA-binding activity of NF-kappaB and contributes to regulation of iNOS expression. J Mol Med (Berl). 2007 Jul;85(7):723-32. Epub 2007 Mar 6.@@Popovic PJ, Zeh HJ 3rd, Ochoa JB: Arginine and immunity. J Nutr. 2007 Jun;137(6 Suppl 2):1681S-1686S." Investigational; Nutraceutical L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Fatty Acids, Volatile; Blood Substitutes and Perfusion Solutions; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Supplements; I.V. Solution Additives; Pituitary Function; Amino Acids, Peptides, and Proteins; Arginine; Blood and Blood Forming Organs; Lipids; Acids, Acyclic; Detoxifying Agents for Antineoplastic Treatment; Fatty Acids; Dietary Supplements; Amino Acids, Diamino" N[C@@H](CCCNC(N)=N)C(O)=O "Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; 3-Phosphoglycerate Dehydrogenase Deficiency; Non-Ketotic Hyperglycinemia; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Dimethylglycine Dehydrogenase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle; Sarcosinemia" disease; metabolic; signaling 10242 46507180 D02982 PA448478 Arginine CHEMBL1485 1091 DB00125 Arginine BE0000671 ASS1 P00966 ASSY_HUMAN 16787144; 16809898; 17210712; 17354225 "Feun L, Savaraj N: Pegylated arginine deiminase: a novel anticancer enzyme agent. Expert Opin Investig Drugs. 2006 Jul;15(7):815-22.@@Moradi H, Kwok V, Vaziri ND: Effect of chronic renal failure on arginase and argininosuccinate synthetase expression. Am J Nephrol. 2006;26(3):310-8. Epub 2006 Jun 29.@@Cheng PN, Lam TL, Lam WM, Tsui SM, Cheng AW, Lo WH, Leung YC: Pegylated recombinant human arginase (rhArg-peg5,000mw) inhibits the in vitro and in vivo proliferation of human hepatocellular carcinoma through arginine depletion. Cancer Res. 2007 Jan 1;67(1):309-17.@@Szlosarek PW, Grimshaw MJ, Wilbanks GD, Hagemann T, Wilson JL, Burke F, Stamp G, Balkwill FR: Aberrant regulation of argininosuccinate synthetase by TNF-alpha in human epithelial ovarian cancer. Int J Cancer. 2007 Jul 1;121(1):6-11." Investigational; Nutraceutical L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Fatty Acids, Volatile; Blood Substitutes and Perfusion Solutions; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Supplements; I.V. Solution Additives; Pituitary Function; Amino Acids, Peptides, and Proteins; Arginine; Blood and Blood Forming Organs; Lipids; Acids, Acyclic; Detoxifying Agents for Antineoplastic Treatment; Fatty Acids; Dietary Supplements; Amino Acids, Diamino" N[C@@H](CCCNC(N)=N)C(O)=O "Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; 3-Phosphoglycerate Dehydrogenase Deficiency; Non-Ketotic Hyperglycinemia; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Dimethylglycine Dehydrogenase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle; Sarcosinemia" disease; metabolic; signaling 10242 46507180 D02982 PA448478 Arginine CHEMBL1485 1091 DB00126 Ascorbic acid BE0002192 PLOD2 O00469 PLOD2_HUMAN cofactor 9344473 "Yeowell HN, Walker LC, Murad S, Pinnell SR: A common duplication in the lysyl hydroxylase gene of patients with Ehlers Danlos syndrome type VI results in preferential stimulation of lysyl hydroxylase activity and mRNA by hydralazine. Arch Biochem Biophys. 1997 Nov 1;347(1):126-31. doi: 10.1006/abbi.1997.0319." Approved; Nutraceutical Butenolides Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones "Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs" [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO "Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 645 46505070 D00018 PA451898 DNC000259 Vitamin_C CHEMBL196 1151 DB00126 Ascorbic acid BE0002117 PHYH O14832 PAHX_HUMAN cofactor 11555634 "Mukherji M, Chien W, Kershaw NJ, Clifton IJ, Schofield CJ, Wierzbicki AS, Lloyd MD: Structure-function analysis of phytanoyl-CoA 2-hydroxylase mutations causing Refsum's disease. Hum Mol Genet. 2001 Sep 1;10(18):1971-82. doi: 10.1093/hmg/10.18.1971." Approved; Nutraceutical Butenolides Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones "Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs" [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO "Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 645 46505070 D00018 PA451898 DNC000259 Vitamin_C CHEMBL196 1151 DB00126 Ascorbic acid BE0002200 PAM P19021 AMD_HUMAN cofactor 17570561; 16773376; 17002377; 9211255 "Romero I, Teresa Sanchez-Ballesta M, Maldonado R, Isabel Escribano M, Merodio C: Anthocyanin, antioxidant activity and stress-induced gene expression in high CO2-treated table grapes stored at low temperature. J Plant Physiol. 2008;165(5):522-30. Epub 2007 Jun 13.@@Floryszak-Wieczorek J, Milczarek G, Arasimowicz M, Ciszewski A: Do nitric oxide donors mimic endogenous NO-related response in plants? Planta. 2006 Nov;224(6):1363-72. Epub 2006 Jun 14.@@Crespo A, Marti MA, Roitberg AE, Amzel LM, Estrin DA: The catalytic mechanism of peptidylglycine alpha-hydroxylating monooxygenase investigated by computer simulation. J Am Chem Soc. 2006 Oct 4;128(39):12817-28.@@Kolhekar AS, Mains RE, Eipper BA: Peptidylglycine alpha-amidating monooxygenase: an ascorbate-requiring enzyme. Methods Enzymol. 1997;279:35-43. doi: 10.1016/s0076-6879(97)79007-4." Approved; Nutraceutical Butenolides Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones "Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs" [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO "Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 645 46505070 D00018 PA451898 DNC000259 Vitamin_C CHEMBL196 1151 DB00126 Ascorbic acid BE0002202 P3H1 Q32P28 P3H1_HUMAN cofactor 29289682 "Osipyants AI, Poloznikov AA, Smirnova NA, Hushpulian DM, Khristichenko AY, Chubar TA, Zakhariants AA, Ahuja M, Gaisina IN, Thomas B, Brown AM, Gazaryan IG, Tishkov VI: L-ascorbic acid: A true substrate for HIF prolyl hydroxylase? Biochimie. 2018 Apr;147:46-54. doi: 10.1016/j.biochi.2017.12.011. Epub 2017 Dec 28." Approved; Nutraceutical Butenolides Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones "Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs" [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO "Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 645 46505070 D00018 PA451898 DNC000259 Vitamin_C CHEMBL196 1151 DB00126 Ascorbic acid BE0002206 P3H2 Q8IVL5 P3H2_HUMAN cofactor 29289682 "Osipyants AI, Poloznikov AA, Smirnova NA, Hushpulian DM, Khristichenko AY, Chubar TA, Zakhariants AA, Ahuja M, Gaisina IN, Thomas B, Brown AM, Gazaryan IG, Tishkov VI: L-ascorbic acid: A true substrate for HIF prolyl hydroxylase? Biochimie. 2018 Apr;147:46-54. doi: 10.1016/j.biochi.2017.12.011. Epub 2017 Dec 28." Approved; Nutraceutical Butenolides Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones "Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs" [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO "Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 645 46505070 D00018 PA451898 DNC000259 Vitamin_C CHEMBL196 1151 DB00126 Ascorbic acid BE0002208 P3H3 Q8IVL6 P3H3_HUMAN cofactor 29289682 "Osipyants AI, Poloznikov AA, Smirnova NA, Hushpulian DM, Khristichenko AY, Chubar TA, Zakhariants AA, Ahuja M, Gaisina IN, Thomas B, Brown AM, Gazaryan IG, Tishkov VI: L-ascorbic acid: A true substrate for HIF prolyl hydroxylase? Biochimie. 2018 Apr;147:46-54. doi: 10.1016/j.biochi.2017.12.011. Epub 2017 Dec 28." Approved; Nutraceutical Butenolides Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones "Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs" [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO "Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 645 46505070 D00018 PA451898 DNC000259 Vitamin_C CHEMBL196 1151 DB00126 Ascorbic acid BE0000060 P4HA1 P13674 P4HA1_HUMAN cofactor 29289682 "Osipyants AI, Poloznikov AA, Smirnova NA, Hushpulian DM, Khristichenko AY, Chubar TA, Zakhariants AA, Ahuja M, Gaisina IN, Thomas B, Brown AM, Gazaryan IG, Tishkov VI: L-ascorbic acid: A true substrate for HIF prolyl hydroxylase? Biochimie. 2018 Apr;147:46-54. doi: 10.1016/j.biochi.2017.12.011. Epub 2017 Dec 28." Approved; Nutraceutical Butenolides Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones "Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs" [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO "Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 645 46505070 D00018 PA451898 DNC000259 Vitamin_C CHEMBL196 1151 DB00126 Ascorbic acid BE0002210 OGFOD1 Q8N543 OGFD1_HUMAN cofactor 25540771 "Kuiper C, Vissers MC: Ascorbate as a co-factor for fe- and 2-oxoglutarate dependent dioxygenases: physiological activity in tumor growth and progression. Front Oncol. 2014 Dec 10;4:359. doi: 10.3389/fonc.2014.00359. eCollection 2014." Approved; Nutraceutical Butenolides Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones "Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs" [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO "Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 645 46505070 D00018 PA451898 DNC000259 Vitamin_C CHEMBL196 1151 DB00126 Ascorbic acid BE0002213 ALKBH3 Q96Q83 ALKB3_HUMAN activator 12486230 "Duncan T, Trewick SC, Koivisto P, Bates PA, Lindahl T, Sedgwick B: Reversal of DNA alkylation damage by two human dioxygenases. Proc Natl Acad Sci U S A. 2002 Dec 24;99(26):16660-5. Epub 2002 Dec 16." Approved; Nutraceutical Butenolides Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones "Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs" [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO "Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 645 46505070 D00018 PA451898 DNC000259 Vitamin_C CHEMBL196 1151 DB00126 Ascorbic acid BE0000087 PLOD1 Q02809 PLOD1_HUMAN cofactor 17100196; 11752352; 9344473 "Salavoura K, Valari M, Kolialexi A, Mavrou A, Kitsiou S: A case of Ehlers Danlos syndrome type VI. Genet Couns. 2006;17(3):291-4.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Yeowell HN, Walker LC, Murad S, Pinnell SR: A common duplication in the lysyl hydroxylase gene of patients with Ehlers Danlos syndrome type VI results in preferential stimulation of lysyl hydroxylase activity and mRNA by hydralazine. Arch Biochem Biophys. 1997 Nov 1;347(1):126-31. doi: 10.1006/abbi.1997.0319." Approved; Nutraceutical Butenolides Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones "Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs" [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO "Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 645 46505070 D00018 PA451898 DNC000259 Vitamin_C CHEMBL196 1151 DB00126 Ascorbic acid BE0002221 TMLHE Q9NVH6 TMLH_HUMAN cofactor 17944936 "van Vlies N, Ofman R, Wanders RJ, Vaz FM: Submitochondrial localization of 6-N-trimethyllysine dioxygenase - implications for carnitine biosynthesis. FEBS J. 2007 Nov;274(22):5845-51. doi: 10.1111/j.1742-4658.2007.06108.x. Epub 2007 Oct 18." Approved; Nutraceutical Butenolides Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones "Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs" [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO "Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 645 46505070 D00018 PA451898 DNC000259 Vitamin_C CHEMBL196 1151 DB00126 Ascorbic acid BE0002217 EGLN1 Q9GZT9 EGLN1_HUMAN cofactor 29567393 Smirnoff N: Ascorbic acid metabolism and functions: A comparison of plants and mammals. Free Radic Biol Med. 2018 Jul;122:116-129. doi: 10.1016/j.freeradbiomed.2018.03.033. Epub 2018 Mar 20. Approved; Nutraceutical Butenolides Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones "Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs" [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO "Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 645 46505070 D00018 PA451898 DNC000259 Vitamin_C CHEMBL196 1151 DB00126 Ascorbic acid BE0002211 EGLN2 Q96KS0 EGLN2_HUMAN cofactor 17627474; 17627521; 29567393 "Nytko KJ, Spielmann P, Camenisch G, Wenger RH, Stiehl DP: Regulated function of the prolyl-4-hydroxylase domain (PHD) oxygen sensor proteins. Antioxid Redox Signal. 2007 Sep;9(9):1329-38.@@Bruegge K, Jelkmann W, Metzen E: Hydroxylation of hypoxia-inducible transcription factors and chemical compounds targeting the HIF-alpha hydroxylases. Curr Med Chem. 2007;14(17):1853-62.@@Smirnoff N: Ascorbic acid metabolism and functions: A comparison of plants and mammals. Free Radic Biol Med. 2018 Jul;122:116-129. doi: 10.1016/j.freeradbiomed.2018.03.033. Epub 2018 Mar 20." Approved; Nutraceutical Butenolides Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones "Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs" [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO "Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 645 46505070 D00018 PA451898 DNC000259 Vitamin_C CHEMBL196 1151 DB00126 Ascorbic acid BE0002219 EGLN3 Q9H6Z9 EGLN3_HUMAN cofactor 29567393 Smirnoff N: Ascorbic acid metabolism and functions: A comparison of plants and mammals. Free Radic Biol Med. 2018 Jul;122:116-129. doi: 10.1016/j.freeradbiomed.2018.03.033. Epub 2018 Mar 20. Approved; Nutraceutical Butenolides Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones "Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs" [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO "Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 645 46505070 D00018 PA451898 DNC000259 Vitamin_C CHEMBL196 1151 DB00127 Spermine BE0000404 ODC1 P11926 DCOR_HUMAN product of 10698696; 10712236; 11160858; 11408092; 11413269; 21413019 "Nilsson J, Grahn B, Heby O: Antizyme inhibitor is rapidly induced in growth-stimulated mouse fibroblasts and releases ornithine decarboxylase from antizyme suppression. Biochem J. 2000 Mar 15;346 Pt 3:699-704.@@Ray RM, Viar MJ, Yuan Q, Johnson LR: Polyamine depletion delays apoptosis of rat intestinal epithelial cells. Am J Physiol Cell Physiol. 2000 Mar;278(3):C480-9.@@Korhonen VP, Niiranen K, Halmekyto M, Pietila M, Diegelman P, Parkkinen JJ, Eloranta T, Porter CW, Alhonen L, Janne J: Spermine deficiency resulting from targeted disruption of the spermine synthase gene in embryonic stem cells leads to enhanced sensitivity to antiproliferative drugs. Mol Pharmacol. 2001 Feb;59(2):231-8.@@Rohn G, Els T, Hell K, Ernestus RI: Regional distribution of ornithine decarboxylase activity and polyamine levels in experimental cat brain tumors. Neurochem Int. 2001 Aug;39(2):135-40.@@Ernestus RI, Rohn G, Schroder R, Els T, Klekner A, Paschen W, Klug N: Polyamine metabolism in brain tumours: diagnostic relevance of quantitative biochemistry. J Neurol Neurosurg Psychiatry. 2001 Jul;71(1):88-92.@@Lee NK, MacLean HE: Polyamines, androgens, and skeletal muscle hypertrophy. J Cell Physiol. 2011 Jun;226(6):1453-60. doi: 10.1002/jcp.22569." Experimental; Nutraceutical Dialkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines OCT1 substrates; Supplements; Amines; Biogenic Amines; Dietary Supplements; Polyamines; Biogenic Polyamines NCCCNCCCCNCCCN Spermidine and Spermine Biosynthesis metabolic 46507215 PA164781199 Spermine CHEMBL23194 1483263 DB00128 Aspartic acid BE0009692 ADSSL1 P30520 PURA2_HUMAN substrate 1989999; 12071700; 6703692; 15786719; 1592113 "Wiesmuller L, Wittbrodt J, Noegel AA, Schleicher M: Purification and cDNA-derived sequence of adenylosuccinate synthetase from Dictyostelium discoideum. J Biol Chem. 1991 Feb 5;266(4):2480-5.@@Jayalakshmi R, Sumathy K, Balaram H: Purification and characterization of recombinant Plasmodium falciparum adenylosuccinate synthetase expressed in Escherichia coli. Protein Expr Purif. 2002 Jun;25(1):65-72.@@Jahngen EG, Rossomando EF: Adenylosuccinate synthetase from Dictyostelium discoideum: effects of hadacidin analogs and binding of [14C]hadacidin. Arch Biochem Biophys. 1984 Feb 15;229(1):145-54. doi: 10.1016/0003-9861(84)90139-5.@@Sun H, Li N, Wang X, Chen T, Shi L, Zhang L, Wang J, Wan T, Cao X: Molecular cloning and characterization of a novel muscle adenylosuccinate synthetase, AdSSL1, from human bone marrow stromal cells. Mol Cell Biochem. 2005 Jan;269(1-2):85-94.@@Powell SM, Zalkin H, Dixon JE: Cloning and characterization of the cDNA encoding human adenylosuccinate synthetase. FEBS Lett. 1992 May 25;303(1):4-10." Approved; Nutraceutical Aspartic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic" N[C@@H](CC(O)=O)C(O)=O "Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 9397 46507997 D00013 PA448494 Aspartic_acid CHEMBL274323 1169 DB00128 Aspartic acid BE0000277 SLC25A13 Q9UJS0 CMC2_HUMAN 17213189; 17591776; 17237342; 17354380; 17228780 "Contreras L, Gomez-Puertas P, Iijima M, Kobayashi K, Saheki T, Satrustegui J: Ca2+ Activation kinetics of the two aspartate-glutamate mitochondrial carriers, aralar and citrin: role in the heart malate-aspartate NADH shuttle. J Biol Chem. 2007 Mar 9;282(10):7098-106. Epub 2007 Jan 9.@@Saheki T, Iijima M, Li MX, Kobayashi K, Horiuchi M, Ushikai M, Okumura F, Meng XJ, Inoue I, Tajima A, Moriyama M, Eto K, Kadowaki T, Sinasac DS, Tsui LC, Tsuji M, Okano A, Kobayashi T: Citrin/mitochondrial glycerol-3-phosphate dehydrogenase double knock-out mice recapitulate features of human citrin deficiency. J Biol Chem. 2007 Aug 24;282(34):25041-52. Epub 2007 Jun 25.@@Satrustegui J, Pardo B, Del Arco A: Mitochondrial transporters as novel targets for intracellular calcium signaling. Physiol Rev. 2007 Jan;87(1):29-67.@@Ikeda S: [Adult-onset citrullinemia]. Brain Nerve. 2007 Jan;59(1):59-66.@@Ikeda S: [Adult-onset citrullinemia]. No To Shinkei. 2007 Jan;59(1):59-66." Approved; Nutraceutical Aspartic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic" N[C@@H](CC(O)=O)C(O)=O "Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 9397 46507997 D00013 PA448494 Aspartic_acid CHEMBL274323 1169 DB00128 Aspartic acid BE0000219 ASNS P08243 ASNS_HUMAN substrate 27251594 "Yu Q, Wang X, Wang L, Zheng J, Wang J, Wang B: Knockdown of asparagine synthetase (ASNS) suppresses cell proliferation and inhibits tumor growth in gastric cancer cells. Scand J Gastroenterol. 2016 Oct;51(10):1220-6. doi: 10.1080/00365521.2016.1190399. Epub 2016 Jun 2." Approved; Nutraceutical Aspartic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic" N[C@@H](CC(O)=O)C(O)=O "Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 9397 46507997 D00013 PA448494 Aspartic_acid CHEMBL274323 1169 DB00128 Aspartic acid BE0000671 ASS1 P00966 ASSY_HUMAN 17139284; 17016423; 17869551; 2791302; 15588718 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Flam BR, Eichler DC, Solomonson LP: Endothelial nitric oxide production is tightly coupled to the citrulline-NO cycle. Nitric Oxide. 2007 Nov-Dec;17(3-4):115-21. Epub 2007 Aug 3.@@Ben-Yoseph Y, Mitchell DA: Detection of kinetically abnormal argininosuccinate synthase in neonatal citrullinemia by conversion of citrulline to arginine in intact fibroblasts. Clin Chim Acta. 1989 Aug 15;183(2):125-33.@@Shen LJ, Beloussow K, Shen WC: Accessibility of endothelial and inducible nitric oxide synthase to the intracellular citrulline-arginine regeneration pathway. Biochem Pharmacol. 2005 Jan 1;69(1):97-104." Approved; Nutraceutical Aspartic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic" N[C@@H](CC(O)=O)C(O)=O "Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 9397 46507997 D00013 PA448494 Aspartic_acid CHEMBL274323 1169 DB00128 Aspartic acid BE0000383 GOT2 P00505 AATM_HUMAN 4404056; 823072; 261660; 10592235 "Collier RH, Kohlhaw G: Nonidentity of the aspartate and the aromatic aminotransferase components of transaminase A in Escherichia coli. J Bacteriol. 1972 Oct;112(1):365-71.@@Grell EH: Genetic analysis of aspartate aminotransferase isozymes from hybrids between Drosophila melanogaster and Drosophila simulans and mutagen-induced isozyme variants. Genetics. 1976 Aug;83(4):753-64.@@Recasens M, Mandel P: Similarities between cysteinesulphinate transaminase and aspartate aminotransferase. Ciba Found Symp. 1979;(72):259-70.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Nutraceutical Aspartic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic" N[C@@H](CC(O)=O)C(O)=O "Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 9397 46507997 D00013 PA448494 Aspartic_acid CHEMBL274323 1169 DB00128 Aspartic acid BE0000725 DARS P14868 SYDC_HUMAN 17139284; 17016423; 10562565; 16597625; 8313877 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Eiler S, Dock-Bregeon A, Moulinier L, Thierry JC, Moras D: Synthesis of aspartyl-tRNA(Asp) in Escherichia coli--a snapshot of the second step. EMBO J. 1999 Nov 15;18(22):6532-41.@@Fender A, Sauter C, Messmer M, Putz J, Giege R, Florentz C, Sissler M: Loss of a primordial identity element for a mammalian mitochondrial aminoacylation system. J Biol Chem. 2006 Jun 9;281(23):15980-6. Epub 2006 Apr 5.@@Cavarelli J, Eriani G, Rees B, Ruff M, Boeglin M, Mitschler A, Martin F, Gangloff J, Thierry JC, Moras D: The active site of yeast aspartyl-tRNA synthetase: structural and functional aspects of the aminoacylation reaction. EMBO J. 1994 Jan 15;13(2):327-37." Approved; Nutraceutical Aspartic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic" N[C@@H](CC(O)=O)C(O)=O "Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 9397 46507997 D00013 PA448494 Aspartic_acid CHEMBL274323 1169 DB00128 Aspartic acid BE0000235 SLC25A12 O75746 CMC1_HUMAN 17151801; 17213189; 17497669; 17237342 "Correia C, Coutinho AM, Diogo L, Grazina M, Marques C, Miguel T, Ataide A, Almeida J, Borges L, Oliveira C, Oliveira G, Vicente AM: Brief report: High frequency of biochemical markers for mitochondrial dysfunction in autism: no association with the mitochondrial aspartate/glutamate carrier SLC25A12 gene. J Autism Dev Disord. 2006 Nov;36(8):1137-40.@@Contreras L, Gomez-Puertas P, Iijima M, Kobayashi K, Saheki T, Satrustegui J: Ca2+ Activation kinetics of the two aspartate-glutamate mitochondrial carriers, aralar and citrin: role in the heart malate-aspartate NADH shuttle. J Biol Chem. 2007 Mar 9;282(10):7098-106. Epub 2007 Jan 9.@@Satrustegui J, Contreras L, Ramos M, Marmol P, del Arco A, Saheki T, Pardo B: Role of aralar, the mitochondrial transporter of aspartate-glutamate, in brain N-acetylaspartate formation and Ca(2+) signaling in neuronal mitochondria. J Neurosci Res. 2007 Nov 15;85(15):3359-66.@@Satrustegui J, Pardo B, Del Arco A: Mitochondrial transporters as novel targets for intracellular calcium signaling. Physiol Rev. 2007 Jan;87(1):29-67." Approved; Nutraceutical Aspartic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic" N[C@@H](CC(O)=O)C(O)=O "Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 9397 46507997 D00013 PA448494 Aspartic_acid CHEMBL274323 1169 DB00128 Aspartic acid BE0000528 ASPH Q12797 ASPH_HUMAN 17139284; 17016423; 6785382; 403177 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Whiteman P, Marks C, Freese E: The sodium effect of Bacillus subtilis growth on aspartate. J Gen Microbiol. 1980 Aug;119(2):493-504.@@Iijima T, Diesterhaft MD, Freese E: Sodium effect of growth on aspartate and genetic analysis of a Bacillus subtilis mutant with high aspartase activity. J Bacteriol. 1977 Mar;129(3):1440-7." Approved; Nutraceutical Aspartic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic" N[C@@H](CC(O)=O)C(O)=O "Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 9397 46507997 D00013 PA448494 Aspartic_acid CHEMBL274323 1169 DB00128 Aspartic acid BE0002228 ADSS P30520 PURA2_HUMAN 15500910; 17929831; 7825060 "Raman J, Mehrotra S, Anand RP, Balaram H: Unique kinetic mechanism of Plasmodium falciparum adenylosuccinate synthetase. Mol Biochem Parasitol. 2004 Nov;138(1):1-8.@@Mehrotra S, Balaram H: Kinetic characterization of adenylosuccinate synthetase from the thermophilic archaea Methanocaldococcus jannaschii. Biochemistry. 2007 Nov 6;46(44):12821-32. Epub 2007 Oct 11.@@Datta SK, Guicherit OM, Kellems RE: Adenylosuccinate synthetase: a dominant amplifiable genetic marker in mammalian cells. Somat Cell Mol Genet. 1994 Sep;20(5):381-9." Approved; Nutraceutical Aspartic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic" N[C@@H](CC(O)=O)C(O)=O "Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 9397 46507997 D00013 PA448494 Aspartic_acid CHEMBL274323 1169 DB00128 Aspartic acid BE0001054 SLC1A1 P43005 EAA3_HUMAN 17389249; 17535962; 17346885; 17663137 "Tao Z, Grewer C: Cooperation of the conserved aspartate 439 and bound amino acid substrate is important for high-affinity Na+ binding to the glutamate transporter EAAC1. J Gen Physiol. 2007 Apr;129(4):331-44.@@Teichman S, Kanner BI: Aspartate-444 is essential for productive substrate interactions in a neuronal glutamate transporter. J Gen Physiol. 2007 Jun;129(6):527-39.@@Tai YH, Wang YH, Tsai RY, Wang JJ, Tao PL, Liu TM, Wang YC, Wong CS: Amitriptyline preserves morphine's antinociceptive effect by regulating the glutamate transporter GLAST and GLT-1 trafficking and excitatory amino acids concentration in morphine-tolerant rats. Pain. 2007 Jun;129(3):343-54. Epub 2007 Mar 7.@@Ozawa S: [Role of glutamate transporters in excitatory synapses in cerebellar Purkinje cells]. Brain Nerve. 2007 Jul;59(7):669-76." Approved; Nutraceutical Aspartic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic" N[C@@H](CC(O)=O)C(O)=O "Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 9397 46507997 D00013 PA448494 Aspartic_acid CHEMBL274323 1169 DB00128 Aspartic acid BE0002229 DARS2 Q6PI48 SYDM_HUMAN 17139284; 17016423; 10562565; 16597625; 8313877 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Eiler S, Dock-Bregeon A, Moulinier L, Thierry JC, Moras D: Synthesis of aspartyl-tRNA(Asp) in Escherichia coli--a snapshot of the second step. EMBO J. 1999 Nov 15;18(22):6532-41.@@Fender A, Sauter C, Messmer M, Putz J, Giege R, Florentz C, Sissler M: Loss of a primordial identity element for a mammalian mitochondrial aminoacylation system. J Biol Chem. 2006 Jun 9;281(23):15980-6. Epub 2006 Apr 5.@@Cavarelli J, Eriani G, Rees B, Ruff M, Boeglin M, Mitschler A, Martin F, Gangloff J, Thierry JC, Moras D: The active site of yeast aspartyl-tRNA synthetase: structural and functional aspects of the aminoacylation reaction. EMBO J. 1994 Jan 15;13(2):327-37." Approved; Nutraceutical Aspartic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic" N[C@@H](CC(O)=O)C(O)=O "Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 9397 46507997 D00013 PA448494 Aspartic_acid CHEMBL274323 1169 DB00128 Aspartic acid BE0002230 ASRGL1 Q7L266 ASGL1_HUMAN 31353561; 26672444; 21854356 "Liu C, Luo L, Lin Q: Antitumor activity and ability to prevent acrylamide formation in fried foods of asparaginase from soybean root nodules. J Food Biochem. 2019 Mar;43(3):e12756. doi: 10.1111/jfbc.12756. Epub 2019 Jan 7.@@Long S, Zhang X, Rao Z, Chen K, Xu M, Yang T, Yang S: Amino acid residues adjacent to the catalytic cavity of tetramer L-asparaginase II contribute significantly to its catalytic efficiency and thermostability. Enzyme Microb Technol. 2016 Jan;82:15-22. doi: 10.1016/j.enzmictec.2015.08.009. Epub 2015 Aug 18.@@Covini D, Tardito S, Bussolati O, Chiarelli LR, Pasquetto MV, Digilio R, Valentini G, Scotti C: Expanding targets for a metabolic therapy of cancer: L-asparaginase. Recent Pat Anticancer Drug Discov. 2012 Jan;7(1):4-13. doi: 10.2174/157489212798358001." Approved; Nutraceutical Aspartic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic" N[C@@H](CC(O)=O)C(O)=O "Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 9397 46507997 D00013 PA448494 Aspartic_acid CHEMBL274323 1169 DB00129 Ornithine BE0000286 ARG1 P05089 ARGI1_HUMAN 11971019; 12135320; 12446178; 12589193; 12679340 "Gobert AP, Cheng Y, Wang JY, Boucher JL, Iyer RK, Cederbaum SD, Casero RA Jr, Newton JC, Wilson KT: Helicobacter pylori induces macrophage apoptosis by activation of arginase II. J Immunol. 2002 May 1;168(9):4692-700.@@Iwata S, Tsujino T, Ikeda Y, Ishida T, Ueyama T, Gotoh T, Mori M, Yokoyama M: Decreased expression of arginase II in the kidneys of Dahl salt-sensitive rats. Hypertens Res. 2002 May;25(3):411-8.@@Stickings P, Mistry SK, Boucher JL, Morris SM, Cunningham JM: Arginase expression and modulation of IL-1beta-induced nitric oxide generation in rat and human islets of Langerhans. Nitric Oxide. 2002 Dec;7(4):289-96.@@Bansal V, Ochoa JB: Arginine availability, arginase, and the immune response. Curr Opin Clin Nutr Metab Care. 2003 Mar;6(2):223-8.@@El Alami M, Dubois E, Oudjama Y, Tricot C, Wouters J, Stalon V, Messenguy F: Yeast epiarginase regulation, an enzyme-enzyme activity control: identification of residues of ornithine carbamoyltransferase and arginase responsible for enzyme catalytic and regulatory activities. J Biol Chem. 2003 Jun 13;278(24):21550-8. Epub 2003 Apr 4." Approved; Nutraceutical L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Amino Acids, Basic; Oligopeptides; Amino Acids, Peptides, and Proteins; Liver Therapy, Lipotropics; Peptides; Liver Therapy; Dietary Supplements; Amino Acids, Diamino; Bile and Liver Therapy; Alimentary Tract and Metabolism" NCCC[C@H](N)C(O)=O "Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Spermidine and Spermine Biosynthesis; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle" disease; metabolic 11709 46505239 PA164783814 Ornithine CHEMBL446143 7704 DB00129 Ornithine BE0000371 OAZ1 P54368 OAZ1_HUMAN 16916800; 16354653; 15009201 "Lopez-Contreras AJ, Lopez-Garcia C, Jimenez-Cervantes C, Cremades A, Penafiel R: Mouse ornithine decarboxylase-like gene encodes an antizyme inhibitor devoid of ornithine and arginine decarboxylating activity. J Biol Chem. 2006 Oct 13;281(41):30896-906. Epub 2006 Aug 17.@@Yamaguchi Y, Takatsuka Y, Matsufuji S, Murakami Y, Kamio Y: Characterization of a counterpart to Mammalian ornithine decarboxylase antizyme in prokaryotes. J Biol Chem. 2006 Feb 17;281(7):3995-4001. Epub 2005 Dec 14.@@Janne J, Alhonen L, Pietila M, Keinanen TA: Genetic approaches to the cellular functions of polyamines in mammals. Eur J Biochem. 2004 Mar;271(5):877-94." Approved; Nutraceutical L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Amino Acids, Basic; Oligopeptides; Amino Acids, Peptides, and Proteins; Liver Therapy, Lipotropics; Peptides; Liver Therapy; Dietary Supplements; Amino Acids, Diamino; Bile and Liver Therapy; Alimentary Tract and Metabolism" NCCC[C@H](N)C(O)=O "Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Spermidine and Spermine Biosynthesis; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle" disease; metabolic 11709 46505239 PA164783814 Ornithine CHEMBL446143 7704 DB00129 Ornithine BE0000562 SLC7A2 P52569 CTR2_HUMAN 16703566; 17065601; 12679322 "Yeramian A, Martin L, Arpa L, Bertran J, Soler C, McLeod C, Modolell M, Palacin M, Lloberas J, Celada A: Macrophages require distinct arginine catabolism and transport systems for proliferation and for activation. Eur J Immunol. 2006 Jun;36(6):1516-26.@@Cerec V, Piquet-Pellorce C, Aly HA, Touzalin AM, Jegou B, Bauche F: Multiple pathways for cationic amino acid transport in rat seminiferous tubule cells. Biol Reprod. 2007 Feb;76(2):241-9. Epub 2006 Oct 25.@@Endo M, Oyadomari S, Terasaki Y, Takeya M, Suga M, Mori M, Gotoh T: Induction of arginase I and II in bleomycin-induced fibrosis of mouse lung. Am J Physiol Lung Cell Mol Physiol. 2003 Aug;285(2):L313-21. Epub 2003 Apr 4." Approved; Nutraceutical L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Amino Acids, Basic; Oligopeptides; Amino Acids, Peptides, and Proteins; Liver Therapy, Lipotropics; Peptides; Liver Therapy; Dietary Supplements; Amino Acids, Diamino; Bile and Liver Therapy; Alimentary Tract and Metabolism" NCCC[C@H](N)C(O)=O "Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Spermidine and Spermine Biosynthesis; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle" disease; metabolic 11709 46505239 PA164783814 Ornithine CHEMBL446143 7704 DB00130 L-Glutamine BE0000874 CTPS1 P17812 PYRG1_HUMAN antagonist 16427816; 17137369; 17331943; 24870241 "MacLeod TJ, Lunn FA, Bearne SL: The role of lysine residues 297 and 306 in nucleoside triphosphate regulation of E. coli CTP synthase: inactivation by 2',3'-dialdehyde ATP and mutational analyses. Biochim Biophys Acta. 2006 Feb;1764(2):199-210. Epub 2005 Dec 27.@@Taylor SD, Mirzaei F, Sharifi A, Bearne SL: Synthesis of methylene- and difluoromethylenephosphonate analogues of uridine-4-phosphate and 3-deazauridine-4-phosphate. J Org Chem. 2006 Dec 8;71(25):9420-30.@@Fijolek A, Hofer A, Thelander L: Expression, purification, characterization, and in vivo targeting of trypanosome CTP synthetase for treatment of African sleeping sickness. J Biol Chem. 2007 Apr 20;282(16):11858-65. Epub 2007 Feb 28.@@Martin E, Palmic N, Sanquer S, Lenoir C, Hauck F, Mongellaz C, Fabrega S, Nitschke P, Esposti MD, Schwartzentruber J, Taylor N, Majewski J, Jabado N, Wynn RF, Picard C, Fischer A, Arkwright PD, Latour S: CTP synthase 1 deficiency in humans reveals its central role in lymphocyte proliferation. Nature. 2014 Jun 12;510(7504):288-92. doi: 10.1038/nature13386. Epub 2014 May 28." Approved; Investigational; Nutraceutical L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids and Derivatives; Glutamine; Dietary Supplements; Amino Acids, Diamino; Alimentary Tract and Metabolism; Amino Acids, Neutral" N[C@@H](CCC(N)=O)C(O)=O "Citrullinemia Type I; Lesch-Nyhan Syndrome (LNS); Xanthinuria Type I; Phenylacetate Metabolism; Tay-Sachs Disease; Purine Nucleoside Phosphorylase Deficiency; Amino Sugar Metabolism; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Glutamate Metabolism; The Oncogenic Action of D-2-Hydroxyglutarate in Hydroxygluaricaciduria; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; Xanthine Dehydrogenase Deficiency (Xanthinuria); Salla Disease/Infantile Sialic Acid Storage Disease; Hyperinsulinism-Hyperammonemia Syndrome; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Glutaminolysis and Cancer; Mitochondrial DNA Depletion Syndrome; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Myoadenylate Deaminase Deficiency; Homocarnosinosis; The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 46505866 D00015 PA10090 Glutamine CHEMBL930 4885 DB00130 L-Glutamine BE0000374 PPAT Q06203 PUR1_HUMAN substrate 10387030 "Raushel FM, Thoden JB, Holden HM: The amidotransferase family of enzymes: molecular machines for the production and delivery of ammonia. Biochemistry. 1999 Jun 22;38(25):7891-9. doi: 10.1021/bi990871p." Approved; Investigational; Nutraceutical L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids and Derivatives; Glutamine; Dietary Supplements; Amino Acids, Diamino; Alimentary Tract and Metabolism; Amino Acids, Neutral" N[C@@H](CCC(N)=O)C(O)=O "Citrullinemia Type I; Lesch-Nyhan Syndrome (LNS); Xanthinuria Type I; Phenylacetate Metabolism; Tay-Sachs Disease; Purine Nucleoside Phosphorylase Deficiency; Amino Sugar Metabolism; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Glutamate Metabolism; The Oncogenic Action of D-2-Hydroxyglutarate in Hydroxygluaricaciduria; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; Xanthine Dehydrogenase Deficiency (Xanthinuria); Salla Disease/Infantile Sialic Acid Storage Disease; Hyperinsulinism-Hyperammonemia Syndrome; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Glutaminolysis and Cancer; Mitochondrial DNA Depletion Syndrome; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Myoadenylate Deaminase Deficiency; Homocarnosinosis; The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling" disease; metabolic; drug_action 46505866 D00015 PA10090 Glutamine CHEMBL930 4885 DB00131 Adenosine phosphate BE0004907 PRKAA1 Q9UGI9 AAKG3_HUMAN activator 28146060 "Marin-Aguilar F, Pavillard LE, Giampieri F, Bullon P, Cordero MD: Adenosine Monophosphate (AMP)-Activated Protein Kinase: A New Target for Nutraceutical Compounds. Int J Mol Sci. 2017 Jan 29;18(2). pii: ijms18020288. doi: 10.3390/ijms18020288." Approved; Investigational; Nutraceutical; Withdrawn Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 Leigh Syndrome; Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Fatty Acid Metabolism; Gentamicin Action Pathway; Pyruvate Dehydrogenase Complex Deficiency; Purine Nucleoside Phosphorylase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); Hyperinsulinism-Hyperammonemia Syndrome; Butyrate Metabolism; Pyruvate Metabolism; Pentose Phosphate Pathway; Propanoate Metabolism; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Roxithromycin Action Pathway; Purine Metabolism; Ammonia Recycling disease; metabolic; drug_action 46507628 D02769 PA164744376 DAP001319 Adenosine_monophosphate CHEMBL752 309 DB00131 Adenosine phosphate BE0003540 ADK P55263 ADK_HUMAN product of 18560757; 17065073 "Park J, Gupta RS: Adenosine kinase and ribokinase--the RK family of proteins. Cell Mol Life Sci. 2008 Sep;65(18):2875-96. doi: 10.1007/s00018-008-8123-1.@@Leoncini R, Vannoni D, Santoro A, Giglioni S, Carli R, Marinello E: Adenosine kinase from rat liver: new biochemical properties. Nucleosides Nucleotides Nucleic Acids. 2006;25(9-11):1107-12." Approved; Investigational; Nutraceutical; Withdrawn Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 Leigh Syndrome; Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Fatty Acid Metabolism; Gentamicin Action Pathway; Pyruvate Dehydrogenase Complex Deficiency; Purine Nucleoside Phosphorylase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); Hyperinsulinism-Hyperammonemia Syndrome; Butyrate Metabolism; Pyruvate Metabolism; Pentose Phosphate Pathway; Propanoate Metabolism; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Roxithromycin Action Pathway; Purine Metabolism; Ammonia Recycling disease; metabolic; drug_action 46507628 D02769 PA164744376 DAP001319 Adenosine_monophosphate CHEMBL752 309 DB00131 Adenosine phosphate BE0000350 ACSS2 Q9NR19 ACSA_HUMAN product of 17350930; 17303131; 16981708; 17497934 "Ingram-Smith C, Smith KS: AMP-forming acetyl-CoA synthetases in Archaea show unexpected diversity in substrate utilization. Archaea. 2007 May;2(2):95-107.@@Linne U, Schafer A, Stubbs MT, Marahiel MA: Aminoacyl-coenzyme A synthesis catalyzed by adenylation domains. FEBS Lett. 2007 Mar 6;581(5):905-10. Epub 2007 Feb 7.@@Ingram-Smith C, Woods BI, Smith KS: Characterization of the acyl substrate binding pocket of acetyl-CoA synthetase. Biochemistry. 2006 Sep 26;45(38):11482-90.@@Reger AS, Carney JM, Gulick AM: Biochemical and crystallographic analysis of substrate binding and conformational changes in acetyl-CoA synthetase. Biochemistry. 2007 Jun 5;46(22):6536-46. Epub 2007 May 12." Approved; Investigational; Nutraceutical; Withdrawn Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 Leigh Syndrome; Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Fatty Acid Metabolism; Gentamicin Action Pathway; Pyruvate Dehydrogenase Complex Deficiency; Purine Nucleoside Phosphorylase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); Hyperinsulinism-Hyperammonemia Syndrome; Butyrate Metabolism; Pyruvate Metabolism; Pentose Phosphate Pathway; Propanoate Metabolism; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Roxithromycin Action Pathway; Purine Metabolism; Ammonia Recycling disease; metabolic; drug_action 46507628 D02769 PA164744376 DAP001319 Adenosine_monophosphate CHEMBL752 309 DB00131 Adenosine phosphate BE0000677 PRKAA1 Q13131 AAPK1_HUMAN activator 17167165 "Mayes MA, Laforest MF, Guillemette C, Gilchrist RB, Richard FJ: Adenosine 5'-monophosphate kinase-activated protein kinase (PRKA) activators delay meiotic resumption in porcine oocytes. Biol Reprod. 2007 Apr;76(4):589-97. Epub 2006 Dec 13." Approved; Investigational; Nutraceutical; Withdrawn Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 Leigh Syndrome; Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Fatty Acid Metabolism; Gentamicin Action Pathway; Pyruvate Dehydrogenase Complex Deficiency; Purine Nucleoside Phosphorylase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); Hyperinsulinism-Hyperammonemia Syndrome; Butyrate Metabolism; Pyruvate Metabolism; Pentose Phosphate Pathway; Propanoate Metabolism; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Roxithromycin Action Pathway; Purine Metabolism; Ammonia Recycling disease; metabolic; drug_action 46507628 D02769 PA164744376 DAP001319 Adenosine_monophosphate CHEMBL752 309 DB00131 Adenosine phosphate BE0000269 ADCY1 Q08828 ADCY1_HUMAN product of 16895552; 17229090; 11752352 "Yang ZF, Sun Y, Li CZ, Wang HW, Wang XJ, Zheng YQ, Liu K, Liu YM: Reduced sinoatrial cAMP content plays a role in postnatal heart rate slowing in the rabbit. Clin Exp Pharmacol Physiol. 2006 Aug;33(8):757-62.@@Nicol X, Bennis M, Ishikawa Y, Chan GC, Reperant J, Storm DR, Gaspar P: Role of the calcium modulated cyclases in the development of the retinal projections. Eur J Neurosci. 2006 Dec;24(12):3401-14.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Nutraceutical; Withdrawn Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 Leigh Syndrome; Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Fatty Acid Metabolism; Gentamicin Action Pathway; Pyruvate Dehydrogenase Complex Deficiency; Purine Nucleoside Phosphorylase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); Hyperinsulinism-Hyperammonemia Syndrome; Butyrate Metabolism; Pyruvate Metabolism; Pentose Phosphate Pathway; Propanoate Metabolism; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Roxithromycin Action Pathway; Purine Metabolism; Ammonia Recycling disease; metabolic; drug_action 46507628 D02769 PA164744376 DAP001319 Adenosine_monophosphate CHEMBL752 309 DB00131 Adenosine phosphate BE0000958 CREB1 P16220 CREB1_HUMAN activator 16879221; 17083486; 17122581; 17300755; 17324065 "Ulfhammer E, Larsson P, Karlsson L, Hrafnkelsdottir T, Bokarewa M, Tarkowski A, Jern S: TNF-alpha mediated suppression of tissue type plasminogen activator expression in vascular endothelial cells is NF-kappaB- and p38 MAPK-dependent. J Thromb Haemost. 2006 Aug;4(8):1781-9.@@Saha B, Singh SK, Sarkar C, Bera R, Ratha J, Tobin DJ, Bhadra R: Activation of the Mitf promoter by lipid-stimulated activation of p38-stress signalling to CREB. Pigment Cell Res. 2006 Dec;19(6):595-605.@@Kozinn J, Mao L, Arora A, Yang L, Fibuch EE, Wang JQ: Inhibition of glutamatergic activation of extracellular signal-regulated protein kinases in hippocampal neurons by the intravenous anesthetic propofol. Anesthesiology. 2006 Dec;105(6):1182-91.@@Perlis RH, Purcell S, Fagerness J, Cusin C, Yamaki L, Fava M, Smoller JW: Clinical and genetic dissection of anger expression and CREB1 polymorphisms in major depressive disorder. Biol Psychiatry. 2007 Sep 1;62(5):536-40. Epub 2007 Feb 14.@@Brenhouse HC, Howe ML, Stellar JR: Differential activation of cAMP response element binding protein in discrete nucleus accumbens subregions during early and late cocaine sensitization. Behav Neurosci. 2007 Feb;121(1):212-7." Approved; Investigational; Nutraceutical; Withdrawn Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 Leigh Syndrome; Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Fatty Acid Metabolism; Gentamicin Action Pathway; Pyruvate Dehydrogenase Complex Deficiency; Purine Nucleoside Phosphorylase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); Hyperinsulinism-Hyperammonemia Syndrome; Butyrate Metabolism; Pyruvate Metabolism; Pentose Phosphate Pathway; Propanoate Metabolism; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Roxithromycin Action Pathway; Purine Metabolism; Ammonia Recycling disease; metabolic; drug_action 46507628 D02769 PA164744376 DAP001319 Adenosine_monophosphate CHEMBL752 309 DB00131 Adenosine phosphate BE0000487 PDE4B Q07343 PDE4B_HUMAN product of 17333137; 16843095; 17088426 "Siuciak JA, Chapin DS, McCarthy SA, Martin AN: Antipsychotic profile of rolipram: efficacy in rats and reduced sensitivity in mice deficient in the phosphodiesterase-4B (PDE4B) enzyme. Psychopharmacology (Berl). 2007 Jun;192(3):415-24. Epub 2007 Mar 2.@@Porteous DJ, Thomson P, Brandon NJ, Millar JK: The genetics and biology of DISC1--an emerging role in psychosis and cognition. Biol Psychiatry. 2006 Jul 15;60(2):123-31.@@Terrin A, Di Benedetto G, Pertegato V, Cheung YF, Baillie G, Lynch MJ, Elvassore N, Prinz A, Herberg FW, Houslay MD, Zaccolo M: PGE(1) stimulation of HEK293 cells generates multiple contiguous domains with different [cAMP]: role of compartmentalized phosphodiesterases. J Cell Biol. 2006 Nov 6;175(3):441-51." Approved; Investigational; Nutraceutical; Withdrawn Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 Leigh Syndrome; Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Fatty Acid Metabolism; Gentamicin Action Pathway; Pyruvate Dehydrogenase Complex Deficiency; Purine Nucleoside Phosphorylase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); Hyperinsulinism-Hyperammonemia Syndrome; Butyrate Metabolism; Pyruvate Metabolism; Pentose Phosphate Pathway; Propanoate Metabolism; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Roxithromycin Action Pathway; Purine Metabolism; Ammonia Recycling disease; metabolic; drug_action 46507628 D02769 PA164744376 DAP001319 Adenosine_monophosphate CHEMBL752 309 DB00131 Adenosine phosphate BE0001473 HINT1 P49773 HINT1_HUMAN product of 17337452; 17158446; 17217311 "Chou TF, Tikh IB, Horta BA, Ghosh B, De Alencastro RB, Wagner CR: Engineered monomeric human histidine triad nucleotide-binding protein 1 hydrolyzes fluorogenic acyl-adenylate and lysyl-tRNA synthetase-generated lysyl-adenylate. J Biol Chem. 2007 May 18;282(20):15137-47. Epub 2007 Mar 2.@@Chou TF, Wagner CR: Lysyl-tRNA synthetase-generated lysyl-adenylate is a substrate for histidine triad nucleotide binding proteins. J Biol Chem. 2007 Feb 16;282(7):4719-27. Epub 2006 Dec 8.@@Chou TF, Baraniak J, Kaczmarek R, Zhou X, Cheng J, Ghosh B, Wagner CR: Phosphoramidate pronucleotides: a comparison of the phosphoramidase substrate specificity of human and Escherichia coli histidine triad nucleotide binding proteins. Mol Pharm. 2007 Mar-Apr;4(2):208-17. Epub 2007 Jan 12." Approved; Investigational; Nutraceutical; Withdrawn Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 Leigh Syndrome; Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Fatty Acid Metabolism; Gentamicin Action Pathway; Pyruvate Dehydrogenase Complex Deficiency; Purine Nucleoside Phosphorylase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); Hyperinsulinism-Hyperammonemia Syndrome; Butyrate Metabolism; Pyruvate Metabolism; Pentose Phosphate Pathway; Propanoate Metabolism; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Roxithromycin Action Pathway; Purine Metabolism; Ammonia Recycling disease; metabolic; drug_action 46507628 D02769 PA164744376 DAP001319 Adenosine_monophosphate CHEMBL752 309 DB00131 Adenosine phosphate BE0001287 PDE4D Q08499 PDE4D_HUMAN product of 17088426 "Terrin A, Di Benedetto G, Pertegato V, Cheung YF, Baillie G, Lynch MJ, Elvassore N, Prinz A, Herberg FW, Houslay MD, Zaccolo M: PGE(1) stimulation of HEK293 cells generates multiple contiguous domains with different [cAMP]: role of compartmentalized phosphodiesterases. J Cell Biol. 2006 Nov 6;175(3):441-51." Approved; Investigational; Nutraceutical; Withdrawn Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 Leigh Syndrome; Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Fatty Acid Metabolism; Gentamicin Action Pathway; Pyruvate Dehydrogenase Complex Deficiency; Purine Nucleoside Phosphorylase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); Hyperinsulinism-Hyperammonemia Syndrome; Butyrate Metabolism; Pyruvate Metabolism; Pentose Phosphate Pathway; Propanoate Metabolism; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Roxithromycin Action Pathway; Purine Metabolism; Ammonia Recycling disease; metabolic; drug_action 46507628 D02769 PA164744376 DAP001319 Adenosine_monophosphate CHEMBL752 309 DB00132 alpha-Linolenic acid BE0000888 FADS1 O60427 FADS1_HUMAN ligand 16988497; 8673626; 11518758; 8487621; 10765977 "Xiang M, Rahman MA, Ai H, Li X, Harbige LS: Diet and gene expression: delta-5 and delta-6 desaturases in healthy Chinese and European subjects. Ann Nutr Metab. 2006;50(6):492-8. Epub 2006 Sep 19.@@Descomps B, Rodriguez A: [Essential fatty acids and prematurity: a triple experimental approach]. C R Seances Soc Biol Fil. 1995;189(5):781-96.@@Hoffman DR, DeMar JC, Heird WC, Birch DG, Anderson RE: Impaired synthesis of DHA in patients with X-linked retinitis pigmentosa. J Lipid Res. 2001 Sep;42(9):1395-401.@@Maniongui C, Blond JP, Ulmann L, Durand G, Poisson JP, Bezard J: Age-related changes in delta 6 and delta 5 desaturase activities in rat liver microsomes. Lipids. 1993 Apr;28(4):291-7.@@Mohan IK, Das UN: Effect of L-arginine-nitric oxide system on the metabolism of essential fatty acids in chemical-induced diabetes mellitus. Prostaglandins Leukot Essent Fatty Acids. 2000 Jan;62(1):35-46." Approved; Investigational; Nutraceutical Lineolic acids and derivatives Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives "Supplements; Fatty Acids, Essential; Linolenic Acids; Lipids; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Dietary Supplements; Fats; Dietary Fats" CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O Alpha Linolenic Acid and Linoleic Acid Metabolism metabolic 1351 46507620 PA449384 %CE%91-Linolenic_acid CHEMBL8739 52071 DB00132 alpha-Linolenic acid BE0002246 FADS2 O95864 FADS2_HUMAN ligand 17409318; 16988497; 17284757; 15481543; 12713571; 21210105 "Portolesi R, Powell BC, Gibson RA: Competition between 24:5n-3 and ALA for Delta 6 desaturase may limit the accumulation of DHA in HepG2 cell membranes. J Lipid Res. 2007 Jul;48(7):1592-8. Epub 2007 Apr 4.@@Xiang M, Rahman MA, Ai H, Li X, Harbige LS: Diet and gene expression: delta-5 and delta-6 desaturases in healthy Chinese and European subjects. Ann Nutr Metab. 2006;50(6):492-8. Epub 2006 Sep 19.@@Baylin A, Ruiz-Narvaez E, Kraft P, Campos H: alpha-Linolenic acid, Delta6-desaturase gene polymorphism, and the risk of nonfatal myocardial infarction. Am J Clin Nutr. 2007 Feb;85(2):554-60.@@Li MC, Bu YP, Wang GK, Hu GW, Xing LJ: [Heteologous expression of Mortierella isabellina delta6 -fatty acid desaturase gene in soybean]. Yi Chuan Xue Bao. 2004 Aug;31(8):858-63.@@Ge L, Gordon JS, Hsuan C, Stenn K, Prouty SM: Identification of the delta-6 desaturase of human sebaceous glands: expression and enzyme activity. J Invest Dermatol. 2003 May;120(5):707-14.@@Tan L, Meesapyodsuk D, Qiu X: Molecular analysis of 6 desaturase and 6 elongase from Conidiobolus obscurus in the biosynthesis of eicosatetraenoic acid, a omega3 fatty acid with nutraceutical potentials. Appl Microbiol Biotechnol. 2011 Apr;90(2):591-601. doi: 10.1007/s00253-010-3060-y. Epub 2011 Jan 6." Approved; Investigational; Nutraceutical Lineolic acids and derivatives Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives "Supplements; Fatty Acids, Essential; Linolenic Acids; Lipids; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Dietary Supplements; Fats; Dietary Fats" CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O Alpha Linolenic Acid and Linoleic Acid Metabolism metabolic 1351 46507620 PA449384 %CE%91-Linolenic_acid CHEMBL8739 52071 DB00132 alpha-Linolenic acid BE0000071 PPARA Q07869 PPARA_HUMAN 10403814; 16731579 "Murakami K, Ide T, Suzuki M, Mochizuki T, Kadowaki T: Evidence for direct binding of fatty acids and eicosanoids to human peroxisome proliferators-activated receptor alpha. Biochem Biophys Res Commun. 1999 Jul 14;260(3):609-13.@@Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26." Approved; Investigational; Nutraceutical Lineolic acids and derivatives Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives "Supplements; Fatty Acids, Essential; Linolenic Acids; Lipids; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Dietary Supplements; Fats; Dietary Fats" CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O Alpha Linolenic Acid and Linoleic Acid Metabolism metabolic 1351 46507620 PA449384 %CE%91-Linolenic_acid CHEMBL8739 52071 DB00132 alpha-Linolenic acid BE0001777 NR1H4 Q96RI1 NR1H4_HUMAN agonist 21658928 "Zhang J, Kris-Etherton PM, Thompson JT, Hannon DB, Gillies PJ, Heuvel JP: Alpha-linolenic acid increases cholesterol efflux in macrophage-derived foam cells by decreasing stearoyl CoA desaturase 1 expression: evidence for a farnesoid-X-receptor mechanism of action. J Nutr Biochem. 2012 Apr;23(4):400-9. doi: 10.1016/j.jnutbio.2011.01.004. Epub 2011 Jun 11." Approved; Investigational; Nutraceutical Lineolic acids and derivatives Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives "Supplements; Fatty Acids, Essential; Linolenic Acids; Lipids; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Dietary Supplements; Fats; Dietary Fats" CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O Alpha Linolenic Acid and Linoleic Acid Metabolism metabolic 1351 46507620 PA449384 %CE%91-Linolenic_acid CHEMBL8739 52071 DB00132 alpha-Linolenic acid BE0001007 PPARD Q03181 PPARD_HUMAN 16731579 "Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26." Approved; Investigational; Nutraceutical Lineolic acids and derivatives Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives "Supplements; Fatty Acids, Essential; Linolenic Acids; Lipids; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Dietary Supplements; Fats; Dietary Fats" CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O Alpha Linolenic Acid and Linoleic Acid Metabolism metabolic 1351 46507620 PA449384 %CE%91-Linolenic_acid CHEMBL8739 52071 DB00132 alpha-Linolenic acid BE0000215 PPARG P37231 PPARG_HUMAN 16731579 "Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26." Approved; Investigational; Nutraceutical Lineolic acids and derivatives Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives "Supplements; Fatty Acids, Essential; Linolenic Acids; Lipids; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Dietary Supplements; Fats; Dietary Fats" CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O Alpha Linolenic Acid and Linoleic Acid Metabolism metabolic 1351 46507620 PA449384 %CE%91-Linolenic_acid CHEMBL8739 52071 DB00132 alpha-Linolenic acid BE0000412 RXRA P19793 RXRA_HUMAN 16731579 "Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26." Approved; Investigational; Nutraceutical Lineolic acids and derivatives Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives "Supplements; Fatty Acids, Essential; Linolenic Acids; Lipids; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Dietary Supplements; Fats; Dietary Fats" CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O Alpha Linolenic Acid and Linoleic Acid Metabolism metabolic 1351 46507620 PA449384 %CE%91-Linolenic_acid CHEMBL8739 52071 DB00132 alpha-Linolenic acid BE0009375 ELOVL5 Q9NYP7 ELOV5_HUMAN substrate 30507367 "Kim D, Choi JE, Park Y: Low-linoleic acid diet and oestrogen enhance the conversion of alpha-linolenic acid into DHA through modification of conversion enzymes and transcription factors. Br J Nutr. 2019 Jan;121(2):137-145. doi: 10.1017/S0007114518003252. Epub 2018 Dec 3." Approved; Investigational; Nutraceutical Lineolic acids and derivatives Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives "Supplements; Fatty Acids, Essential; Linolenic Acids; Lipids; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Dietary Supplements; Fats; Dietary Fats" CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O Alpha Linolenic Acid and Linoleic Acid Metabolism metabolic 1351 46507620 PA449384 %CE%91-Linolenic_acid CHEMBL8739 52071 DB00132 alpha-Linolenic acid BE0000986 SLC8A1 P32418 NAC1_HUMAN 17139284; 17016423; 17059813 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Ander BP, Hurtado C, Raposo CS, Maddaford TG, Deniset JF, Hryshko LV, Pierce GN, Lukas A: Differential sensitivities of the NCX1.1 and NCX1.3 isoforms of the Na+-Ca2+ exchanger to alpha-linolenic acid. Cardiovasc Res. 2007 Jan 15;73(2):395-403. Epub 2006 Sep 23." Approved; Investigational; Nutraceutical Lineolic acids and derivatives Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives "Supplements; Fatty Acids, Essential; Linolenic Acids; Lipids; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Dietary Supplements; Fats; Dietary Fats" CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O Alpha Linolenic Acid and Linoleic Acid Metabolism metabolic 1351 46507620 PA449384 %CE%91-Linolenic_acid CHEMBL8739 52071 DB00133 Serine BE0000388 SRR Q9GZT4 SRR_HUMAN 17499824; 17663143 "Fujitani Y, Horiuchi T, Ito K, Sugimoto M: Serine racemases from barley, Hordeum vulgare L., and other plant species represent a distinct eukaryotic group: gene cloning and recombinant protein characterization. Phytochemistry. 2007 Jun;68(11):1530-6. Epub 2007 May 17.@@Ying-Luan Z, Zhao YL, Mori H: [Role of D-serine in the mammalian brain]. Brain Nerve. 2007 Jul;59(7):725-30." Investigational; Nutraceutical Serine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](CO)C(O)=O "Phosphatidylethanolamine Biosynthesis PE(15:0/18:1(11Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/22:2(13Z,16Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/24:1(15Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/18:0); Phosphatidylethanolamine Biosynthesis PE(14:0/18:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/24:0); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:3(8Z,11Z,14Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/14:0); Phosphatidylethanolamine Biosynthesis PE(14:0/22:1(13Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/18:1(11Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:3(9Z,12Z,15Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/14:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/15:0); Phosphatidylethanolamine Biosynthesis PE(14:0/14:1(9Z)); Glycine and Serine Metabolism; Phosphatidylethanolamine Biosynthesis PE(14:0/20:4(8Z,11Z,14Z,17Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/16:0); Selenoamino Acid Metabolism; Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/15:0); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:3(6Z,9Z,12Z)); Cystathionine beta-Synthase Deficiency; Sarcosine Oncometabolite Pathway; Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:0); Phosphatidylethanolamine Biosynthesis PE(14:0/14:0); Globoid Cell Leukodystrophy; Phosphatidylethanolamine Biosynthesis PE(15:0/18:1(9Z)); Ammonia Recycling" disease; metabolic 9927 46506450 D00016 PA451330 Serine CHEMBL11298 9671 DB00133 Serine BE0000660 SPTLC2 O15270 SPTC2_HUMAN 17559874 "Yard BA, Carter LG, Johnson KA, Overton IM, Dorward M, Liu H, McMahon SA, Oke M, Puech D, Barton GJ, Naismith JH, Campopiano DJ: The structure of serine palmitoyltransferase; gateway to sphingolipid biosynthesis. J Mol Biol. 2007 Jul 27;370(5):870-86. Epub 2007 May 10." Investigational; Nutraceutical Serine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](CO)C(O)=O "Phosphatidylethanolamine Biosynthesis PE(15:0/18:1(11Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/22:2(13Z,16Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/24:1(15Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/18:0); Phosphatidylethanolamine Biosynthesis PE(14:0/18:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/24:0); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:3(8Z,11Z,14Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/14:0); Phosphatidylethanolamine Biosynthesis PE(14:0/22:1(13Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/18:1(11Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:3(9Z,12Z,15Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/14:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/15:0); Phosphatidylethanolamine Biosynthesis PE(14:0/14:1(9Z)); Glycine and Serine Metabolism; Phosphatidylethanolamine Biosynthesis PE(14:0/20:4(8Z,11Z,14Z,17Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/16:0); Selenoamino Acid Metabolism; Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/15:0); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:3(6Z,9Z,12Z)); Cystathionine beta-Synthase Deficiency; Sarcosine Oncometabolite Pathway; Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:0); Phosphatidylethanolamine Biosynthesis PE(14:0/14:0); Globoid Cell Leukodystrophy; Phosphatidylethanolamine Biosynthesis PE(15:0/18:1(9Z)); Ammonia Recycling" disease; metabolic 9927 46506450 D00016 PA451330 Serine CHEMBL11298 9671 DB00133 Serine BE0000441 SPTLC1 O15269 SPTC1_HUMAN 17559874 "Yard BA, Carter LG, Johnson KA, Overton IM, Dorward M, Liu H, McMahon SA, Oke M, Puech D, Barton GJ, Naismith JH, Campopiano DJ: The structure of serine palmitoyltransferase; gateway to sphingolipid biosynthesis. J Mol Biol. 2007 Jul 27;370(5):870-86. Epub 2007 May 10." Investigational; Nutraceutical Serine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](CO)C(O)=O "Phosphatidylethanolamine Biosynthesis PE(15:0/18:1(11Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/22:2(13Z,16Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/24:1(15Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/18:0); Phosphatidylethanolamine Biosynthesis PE(14:0/18:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/24:0); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:3(8Z,11Z,14Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/14:0); Phosphatidylethanolamine Biosynthesis PE(14:0/22:1(13Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/18:1(11Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:3(9Z,12Z,15Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/14:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/15:0); Phosphatidylethanolamine Biosynthesis PE(14:0/14:1(9Z)); Glycine and Serine Metabolism; Phosphatidylethanolamine Biosynthesis PE(14:0/20:4(8Z,11Z,14Z,17Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/16:0); Selenoamino Acid Metabolism; Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/15:0); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:3(6Z,9Z,12Z)); Cystathionine beta-Synthase Deficiency; Sarcosine Oncometabolite Pathway; Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:0); Phosphatidylethanolamine Biosynthesis PE(14:0/14:0); Globoid Cell Leukodystrophy; Phosphatidylethanolamine Biosynthesis PE(15:0/18:1(9Z)); Ammonia Recycling" disease; metabolic 9927 46506450 D00016 PA451330 Serine CHEMBL11298 9671 DB00133 Serine BE0000063 SARS P49591 SYSC_HUMAN 17139284; 17016423; 16950556; 16081124; 16517553 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Zhang Y, Cui J, Zhang R, Wang Y, Hong M: A novel fibrinolytic serine protease from the polychaete Nereis (Neanthes) virens (Sars): purification and characterization. Biochimie. 2007 Jan;89(1):93-103. Epub 2006 Aug 22.@@Follis KE, York J, Nunberg JH: Serine-scanning mutagenesis studies of the C-terminal heptad repeats in the SARS coronavirus S glycoprotein highlight the important role of the short helical region. Virology. 2005 Oct 10;341(1):122-9.@@McClendon CL, Vaidehi N, Kam VW, Zhang D, Goddard WA 3rd: Fidelity of seryl-tRNA synthetase to binding of natural amino acids from HierDock first principles computations. Protein Eng Des Sel. 2006 May;19(5):195-203. Epub 2006 Mar 3." Investigational; Nutraceutical Serine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](CO)C(O)=O "Phosphatidylethanolamine Biosynthesis PE(15:0/18:1(11Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/22:2(13Z,16Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/24:1(15Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/18:0); Phosphatidylethanolamine Biosynthesis PE(14:0/18:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/24:0); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:3(8Z,11Z,14Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/14:0); Phosphatidylethanolamine Biosynthesis PE(14:0/22:1(13Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/18:1(11Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:3(9Z,12Z,15Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/14:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/15:0); Phosphatidylethanolamine Biosynthesis PE(14:0/14:1(9Z)); Glycine and Serine Metabolism; Phosphatidylethanolamine Biosynthesis PE(14:0/20:4(8Z,11Z,14Z,17Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/16:0); Selenoamino Acid Metabolism; Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/15:0); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:3(6Z,9Z,12Z)); Cystathionine beta-Synthase Deficiency; Sarcosine Oncometabolite Pathway; Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:0); Phosphatidylethanolamine Biosynthesis PE(14:0/14:0); Globoid Cell Leukodystrophy; Phosphatidylethanolamine Biosynthesis PE(15:0/18:1(9Z)); Ammonia Recycling" disease; metabolic 9927 46506450 D00016 PA451330 Serine CHEMBL11298 9671 DB00134 Methionine BE0000763 MTRR Q9UBK8 MTRR_HUMAN product of 17079868; 17101561; 17369066 "Kim DJ, Park BL, Koh JM, Kim GS, Kim LH, Cheong HS, Shin HD, Hong JM, Kim TH, Shin HI, Park EK, Kim SY: Methionine synthase reductase polymorphisms are associated with serum osteocalcin levels in postmenopausal women. Exp Mol Med. 2006 Oct 31;38(5):519-24.@@Tvedegaard KC, Rudiger NS, Pedersen BN, Moller J: Detection of MTRR 66A-->G polymorphism using the real-time polymerase chain reaction machine LightCycler for determination of composition of allele after restriction cleavage. Scand J Clin Lab Invest. 2006;66(8):685-93.@@Elmore CL, Wu X, Leclerc D, Watson ED, Bottiglieri T, Krupenko NI, Krupenko SA, Cross JC, Rozen R, Gravel RA, Matthews RG: Metabolic derangement of methionine and folate metabolism in mice deficient in methionine synthase reductase. Mol Genet Metab. 2007 May;91(1):85-97. Epub 2007 Mar 21." Approved; Nutraceutical Methionine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Antidotes; Amino Acids, Essential; Amino Acids, Sulfur; Sulfur Compounds; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" CSCC[C@H](N)C(O)=O Demeclocycline Action Pathway; Spermidine and Spermine Biosynthesis; Lincomycin Action Pathway; Gentamicin Action Pathway; Josamycin Action Pathway; Methionine Adenosyltransferase Deficiency; Methacycline Action Pathway; Non-Ketotic Hyperglycinemia; Clarithromycin Action Pathway; Betaine Metabolism; Paromomycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Amikacin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Methionine Metabolism; Spectinomycin Action Pathway; Doxycycline Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Cystathionine beta-Synthase Deficiency; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Sarcosine Oncometabolite Pathway; Sarcosinemia; Arbekacin Action Pathway; Chloramphenicol Action Pathway disease; metabolic; drug_action 7217 46505750 D00019 PA450423 Methionine CHEMBL42336 6837 DB00134 Methionine BE0000734 MTR Q99707 METH_HUMAN product of 16618098; 16788729; 17052662; 17222188; 17615995 "Taurog RE, Matthews RG: Activation of methyltetrahydrofolate by cobalamin-independent methionine synthase. Biochemistry. 2006 Apr 25;45(16):5092-102.@@Hughes JA: In vivo hydrolysis of S-adenosyl-L-methionine in Escherichia coli increases export of 5-methylthioribose. Can J Microbiol. 2006 Jun;52(6):599-602.@@Reynolds E: Vitamin B12, folic acid, and the nervous system. Lancet Neurol. 2006 Nov;5(11):949-60.@@Banks EC, Doughty SW, Toms SM, Wheelhouse RT, Nicolaou A: Inhibition of cobalamin-dependent methionine synthase by substituted benzo-fused heterocycles. FEBS J. 2007 Jan;274(1):287-99.@@Yamada K, Kawata T, Wada M, Mori K, Tamai H, Tanaka N, Tadokoro T, Tobimatsu T, Toraya T, Maekawa A: Testicular injury to rats fed on soybean protein-based vitamin B12-deficient diet can be reduced by methionine supplementation. J Nutr Sci Vitaminol (Tokyo). 2007 Apr;53(2):95-101." Approved; Nutraceutical Methionine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Antidotes; Amino Acids, Essential; Amino Acids, Sulfur; Sulfur Compounds; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" CSCC[C@H](N)C(O)=O Demeclocycline Action Pathway; Spermidine and Spermine Biosynthesis; Lincomycin Action Pathway; Gentamicin Action Pathway; Josamycin Action Pathway; Methionine Adenosyltransferase Deficiency; Methacycline Action Pathway; Non-Ketotic Hyperglycinemia; Clarithromycin Action Pathway; Betaine Metabolism; Paromomycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Amikacin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Methionine Metabolism; Spectinomycin Action Pathway; Doxycycline Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Cystathionine beta-Synthase Deficiency; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Sarcosine Oncometabolite Pathway; Sarcosinemia; Arbekacin Action Pathway; Chloramphenicol Action Pathway disease; metabolic; drug_action 7217 46505750 D00019 PA450423 Methionine CHEMBL42336 6837 DB00134 Methionine BE0001534 METAP2 P50579 MAP2_HUMAN product of 16917013; 16789740; 16823043; 17114291; 16540317 "Upadhya R, Zhang HS, Weiss LM: System for expression of microsporidian methionine amino peptidase type 2 (MetAP2) in the yeast Saccharomyces cerevisiae. Antimicrob Agents Chemother. 2006 Oct;50(10):3389-95. Epub 2006 Aug 17.@@Sheppard GS, Wang J, Kawai M, Fidanze SD, BaMaung NY, Erickson SA, Barnes DM, Tedrow JS, Kolaczkowski L, Vasudevan A, Park DC, Wang GT, Sanders WJ, Mantei RA, Palazzo F, Tucker-Garcia L, Lou P, Zhang Q, Park CH, Kim KH, Petros A, Olejniczak E, Nettesheim D, Hajduk P, Henkin J, Lesniewski R, Davidsen SK, Bell RL: Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding. J Med Chem. 2006 Jun 29;49(13):3832-49.@@Addlagatta A, Matthews BW: Structure of the angiogenesis inhibitor ovalicin bound to its noncognate target, human Type 1 methionine aminopeptidase. Protein Sci. 2006 Aug;15(8):1842-8. Epub 2006 Jul 5.@@Hu X, Addlagatta A, Lu J, Matthews BW, Liu JO: Elucidation of the function of type 1 human methionine aminopeptidase during cell cycle progression. Proc Natl Acad Sci U S A. 2006 Nov 28;103(48):18148-53. Epub 2006 Nov 17.@@Nonato MC, Widom J, Clardy J: Human methionine aminopeptidase type 2 in complex with L- and D-methionine. Bioorg Med Chem Lett. 2006 May 15;16(10):2580-3. Epub 2006 Mar 15." Approved; Nutraceutical Methionine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Antidotes; Amino Acids, Essential; Amino Acids, Sulfur; Sulfur Compounds; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" CSCC[C@H](N)C(O)=O Demeclocycline Action Pathway; Spermidine and Spermine Biosynthesis; Lincomycin Action Pathway; Gentamicin Action Pathway; Josamycin Action Pathway; Methionine Adenosyltransferase Deficiency; Methacycline Action Pathway; Non-Ketotic Hyperglycinemia; Clarithromycin Action Pathway; Betaine Metabolism; Paromomycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Amikacin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Methionine Metabolism; Spectinomycin Action Pathway; Doxycycline Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Cystathionine beta-Synthase Deficiency; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Sarcosine Oncometabolite Pathway; Sarcosinemia; Arbekacin Action Pathway; Chloramphenicol Action Pathway disease; metabolic; drug_action 7217 46505750 D00019 PA450423 Methionine CHEMBL42336 6837 DB00135 Tyrosine BE0000363 YARS2 Q9Y2Z4 SYYM_HUMAN 17139284; 17016423; 15840835; 12097643; 12754495 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Zhang Y, Wang L, Schultz PG, Wilson IA: Crystal structures of apo wild-type M. jannaschii tyrosyl-tRNA synthetase (TyrRS) and an engineered TyrRS specific for O-methyl-L-tyrosine. Protein Sci. 2005 May;14(5):1340-9.@@Kiga D, Sakamoto K, Kodama K, Kigawa T, Matsuda T, Yabuki T, Shirouzu M, Harada Y, Nakayama H, Takio K, Hasegawa Y, Endo Y, Hirao I, Yokoyama S: An engineered Escherichia coli tyrosyl-tRNA synthetase for site-specific incorporation of an unnatural amino acid into proteins in eukaryotic translation and its application in a wheat germ cell-free system. Proc Natl Acad Sci U S A. 2002 Jul 23;99(15):9715-20. Epub 2002 Jul 3.@@Kobayashi T, Nureki O, Ishitani R, Yaremchuk A, Tukalo M, Cusack S, Sakamoto K, Yokoyama S: Structural basis for orthogonal tRNA specificities of tyrosyl-tRNA synthetases for genetic code expansion. Nat Struct Biol. 2003 Jun;10(6):425-32." Approved; Investigational; Nutraceutical Tyrosine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic" N[C@@H](CC1=CC=C(O)C=C1)C(O)=O "Dopamine beta-Hydroxylase Deficiency; Tyrosine Metabolism; Thyroid Hormone Synthesis; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Monoamine Oxidase-A Deficiency (MAO-A); Catecholamine Biosynthesis; Phenylketonuria; Tyrosinemia, Transient, of the Newborn; Tyrosinemia Type 3 (TYRO3); Hawkinsinuria; Tyrosinemia Type 2 (or Richner-Hanhart Syndrome); Phenylalanine and Tyrosine Metabolism; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency" disease; metabolic; drug_action 9750 46507885 D00022 PA451822 DAP000808 Tyrosine CHEMBL925 10962 DB00135 Tyrosine BE0000230 YARS P54577 SYYC_HUMAN 17401211 "Bonnefond L, Frugier M, Touze E, Lorber B, Florentz C, Giege R, Rudinger-Thirion J, Sauter C: Tyrosyl-tRNA synthetase: the first crystallization of a human mitochondrial aminoacyl-tRNA synthetase. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2007 Apr 1;63(Pt 4):338-41. Epub 2007 Mar 30." Approved; Investigational; Nutraceutical Tyrosine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic" N[C@@H](CC1=CC=C(O)C=C1)C(O)=O "Dopamine beta-Hydroxylase Deficiency; Tyrosine Metabolism; Thyroid Hormone Synthesis; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Monoamine Oxidase-A Deficiency (MAO-A); Catecholamine Biosynthesis; Phenylketonuria; Tyrosinemia, Transient, of the Newborn; Tyrosinemia Type 3 (TYRO3); Hawkinsinuria; Tyrosinemia Type 2 (or Richner-Hanhart Syndrome); Phenylalanine and Tyrosine Metabolism; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency" disease; metabolic; drug_action 9750 46507885 D00022 PA451822 DAP000808 Tyrosine CHEMBL925 10962 DB00136 Calcitriol BE0000779 VDR P11473 VDR_HUMAN agonist 15503649; 11752352 "Reinhart GA: Vitamin D analogs: novel therapeutic agents for cardiovascular disease? Curr Opin Investig Drugs. 2004 Sep;5(9):947-51.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Nutraceutical Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives "Antipsoriatics for Topical Use; Vitamins; Growth Substances; Cytochrome P-450 CYP3A Substrates; Cholestenes; Antipsoriatics; Cytochrome P-450 Enzyme Inducers; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Misc. Skin and Mucous Membrane Agents; Steroids; Membrane Transport Modulators; Alimentary Tract and Metabolism; Fused-Ring Compounds; Diet, Food, and Nutrition; Vitamin D and Analogues; Calcium-Regulating Hormones and Agents; Lipids; Food; Cytochrome P-450 CYP3A4 Substrates; Micronutrients; Secosteroids; Cholestanes; Sterols; Physiological Phenomena; Bone Density Conservation Agents; Cytochrome P-450 CYP3A Inducers; Membrane Lipids" C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C 4893 46508162 D00129 PA448717 DAP000289 Calcitriol CHEMBL846 1894 DB00138 Cystine BE0000030 SLC7A11 Q9UPY5 XCT_HUMAN 11867597; 12065721; 12498985; 16014042; 12898700 "Tomi M, Hosoya K, Takanaga H, Ohtsuki S, Terasaki T: Induction of xCT gene expression and L-cystine transport activity by diethyl maleate at the inner blood-retinal barrier. Invest Ophthalmol Vis Sci. 2002 Mar;43(3):774-9.@@Hosoya K, Tomi M, Ohtsuki S, Takanaga H, Saeki S, Kanai Y, Endou H, Naito M, Tsuruo T, Terasaki T: Enhancement of L-cystine transport activity and its relation to xCT gene induction at the blood-brain barrier by diethyl maleate treatment. J Pharmacol Exp Ther. 2002 Jul;302(1):225-31.@@Ruiz E, Siow RC, Bartlett SR, Jenner AM, Sato H, Bannai S, Mann GE: Vitamin C inhibits diethylmaleate-induced L-cystine transport in human vascular smooth muscle cells. Free Radic Biol Med. 2003 Jan 1;34(1):103-10.@@Bridges CC, Zalups RK: Cystine and glutamate transport in renal epithelial cells transfected with human system x(-) (c). Kidney Int. 2005 Aug;68(2):653-64.@@Tomi M, Funaki T, Abukawa H, Katayama K, Kondo T, Ohtsuki S, Ueda M, Obinata M, Terasaki T, Hosoya K: Expression and regulation of L-cystine transporter, system xc-, in the newly developed rat retinal Muller cell line (TR-MUL). Glia. 2003 Sep;43(3):208-17." Approved; Nutraceutical L-cysteine-S-conjugates "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Disulfides; Anions; Hydrogen Sulfide; Ions; Sulfides; Amino Acids, Peptides, and Proteins; Amino Acids, Sulfur; Sulfur Compounds; Cysteine; Dietary Supplements; Amino Acids, Diamino; Electrolytes; Amino Acids, Dicarboxylic" N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O 9749 46506670 D03636 PA449176 Cystine CHEMBL590540 3036 DB00139 Succinic acid BE0000152 ALDH5A1 P51649 SSDH_HUMAN inhibitor 15853764; 17619587; 16942602; 17584458; 16689938; 11752352 "Yogeeswari P, Sriram D, Vaigundaragavendran J: The GABA shunt: an attractive and potential therapeutic target in the treatment of epileptic disorders. Curr Drug Metab. 2005 Apr;6(2):127-39.@@Popov VN, Eprintsev AT, Fedorin DN, Fomenko OIu, Igamberdiev AU: [Role of transamination in the mobilization of respiratory substrates in germinating seeds of castor oil plants]. Prikl Biokhim Mikrobiol. 2007 May-Jun;43(3):376-81.@@Wang C, Zhang HB, Wang LH, Zhang LH: Succinic semialdehyde couples stress response to quorum-sensing signal decay in Agrobacterium tumefaciens. Mol Microbiol. 2006 Oct;62(1):45-56. Epub 2006 Aug 30.@@Ahn SJ, Yang CH, Cooksey DA: Pseudomonas putida 06909 genes expressed during colonization on mycelial surfaces and phenotypic characterization of mutants. J Appl Microbiol. 2007 Jul;103(1):120-32.@@Chiribau CB, Mihasan M, Ganas P, Igloi GL, Artenie V, Brandsch R: Final steps in the catabolism of nicotine. FEBS J. 2006 Apr;273(7):1528-36.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Nutraceutical Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Supplements; Succinates; Dicarboxylic Acids; OAT3/SLC22A8 Substrates; Acids, Acyclic; Dietary Supplements" OC(=O)CCC(O)=O "Mitochondrial Complex II Deficiency; 3-Methylglutaconic Aciduria Type III; 2-Ketoglutarate Dehydrogenase Complex Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxidation of Branched-Chain Fatty Acids; Isovaleric Aciduria; Warburg Effect; Refsum Disease; Isobutyryl-CoA Dehydrogenase Deficiency; Propionic Acidemia; 2-Hydroxyglutric Aciduria (D and L Form); Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Congenital Lactic Acidosis; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Fumarase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Ornithine Aminotransferase Deficiency (OAT Deficiency); Ketone Body Metabolism; Homocarnosinosis; Methylmalonate Semialdehyde Dehydrogenase Deficiency; Prolinemia Type II; The Oncogenic Action of 2-Hydroxyglutarate; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease" disease; metabolic 46505859 PA164747739 DAP000545 Succinic_acid CHEMBL576 37255 DB00141 N-Acetylglucosamine BE0000259 B4GALT1 P15291 B4GT1_HUMAN 15736931; 16157350; 17370997; 17203585; 15449940 "Ramakrishnan B, Boeggeman E, Qasba PK: Mutation of arginine 228 to lysine enhances the glucosyltransferase activity of bovine beta-1,4-galactosyltransferase I. Biochemistry. 2005 Mar 8;44(9):3202-10.@@Ramasamy V, Ramakrishnan B, Boeggeman E, Ratner DM, Seeberger PH, Qasba PK: Oligosaccharide preferences of beta1,4-galactosyltransferase-I: crystal structures of Met340His mutant of human beta1,4-galactosyltransferase-I with a pentasaccharide and trisaccharides of the N-glycan moiety. J Mol Biol. 2005 Oct 14;353(1):53-67.@@Boeggeman E, Ramakrishnan B, Kilgore C, Khidekel N, Hsieh-Wilson LC, Simpson JT, Qasba PK: Direct identification of nonreducing GlcNAc residues on N-glycans of glycoproteins using a novel chemoenzymatic method. Bioconjug Chem. 2007 May-Jun;18(3):806-14. Epub 2007 Mar 20.@@Hidalgo A, Burgos V, Viola H, Medina J, Argibay P: Differential expression of glycans in the hippocampus of rats trained on an inhibitory learning paradigm. Neuropathology. 2006 Dec;26(6):501-7.@@Ramakrishnan B, Boeggeman E, Qasba PK: Effect of the Met344His mutation on the conformational dynamics of bovine beta-1,4-galactosyltransferase: crystal structure of the Met344His mutant in complex with chitobiose. Biochemistry. 2004 Oct 5;43(39):12513-22." Approved; Investigational; Nutraceutical Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Supplements; Carbohydrates; Amino Sugars; Dietary Supplements; Hexosamines [H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO "G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Sialuria or French Type Sialuria; Tay-Sachs Disease; Salla Disease/Infantile Sialic Acid Storage Disease; Amino Sugar Metabolism" disease; metabolic 46509139 PA164752287 DAP000872 N-Acetylglucosamine CHEMBL4303483 1362871 DB00142 Glutamic acid BE0000824 GRM1 Q13255 GRM1_HUMAN 17360958; 16751798; 17331504 "Suzuki G, Kimura T, Satow A, Kaneko N, Fukuda J, Hikichi H, Sakai N, Maehara S, Kawagoe-Takaki H, Hata M, Azuma T, Ito S, Kawamoto H, Ohta H: Pharmacological characterization of a new, orally active and potent allosteric metabotropic glutamate receptor 1 antagonist, 4-[1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-isopropyl-N-methyl- 3,6-dihydropyridine-1(2H)-carboxamide (FTIDC). J Pharmacol Exp Ther. 2007 Jun;321(3):1144-53. Epub 2007 Mar 14.@@Chiocchetti A, Miglio G, Mesturini R, Varsaldi F, Mocellin M, Orilieri E, Dianzani C, Fantozzi R, Dianzani U, Lombardi G: Group I mGlu receptor stimulation inhibits activation-induced cell death of human T lymphocytes. Br J Pharmacol. 2006 Jul;148(6):760-8. Epub 2006 Jun 5.@@San Gabriel AM, Maekawa T, Uneyama H, Yoshie S, Torii K: mGluR1 in the fundic glands of rat stomach. FEBS Lett. 2007 Mar 20;581(6):1119-23. Epub 2007 Feb 22." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000833 GRM4 Q14833 GRM4_HUMAN 17360958 "Suzuki G, Kimura T, Satow A, Kaneko N, Fukuda J, Hikichi H, Sakai N, Maehara S, Kawagoe-Takaki H, Hata M, Azuma T, Ito S, Kawamoto H, Ohta H: Pharmacological characterization of a new, orally active and potent allosteric metabotropic glutamate receptor 1 antagonist, 4-[1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-isopropyl-N-methyl- 3,6-dihydropyridine-1(2H)-carboxamide (FTIDC). J Pharmacol Exp Ther. 2007 Jun;321(3):1144-53. Epub 2007 Mar 14." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000827 GRIK4 Q16099 GRIK4_HUMAN 17139284; 17016423; 8589992 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Korczak B, Nutt SL, Fletcher EJ, Hoo KH, Elliott CE, Rampersad V, McWhinnie EA, Kamboj RK: cDNA cloning and functional properties of human glutamate receptor EAA3 (GluR5) in homomeric and heteromeric configuration. Receptors Channels. 1995;3(1):41-9." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000828 GRIK5 Q16478 GRIK5_HUMAN 17139284; 17016423; 11058796; 2850065 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Takeda M, Haga M, Yamada H, Kinoshita M, Otsuka M, Tsuboi S, Moriyama Y: Ionotropic glutamate receptors expressed in human retinoblastoma Y79 cells. Neurosci Lett. 2000 Nov 17;294(2):97-100.@@Murphy DE, Hutchison AJ, Hurt SD, Williams M, Sills MA: Characterization of the binding of [3H]-CGS 19755: a novel N-methyl-D-aspartate antagonist with nanomolar affinity in rat brain. Br J Pharmacol. 1988 Nov;95(3):932-8." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000834 GRM7 Q14831 GRM7_HUMAN 17360958 "Suzuki G, Kimura T, Satow A, Kaneko N, Fukuda J, Hikichi H, Sakai N, Maehara S, Kawagoe-Takaki H, Hata M, Azuma T, Ito S, Kawamoto H, Ohta H: Pharmacological characterization of a new, orally active and potent allosteric metabotropic glutamate receptor 1 antagonist, 4-[1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-isopropyl-N-methyl- 3,6-dihydropyridine-1(2H)-carboxamide (FTIDC). J Pharmacol Exp Ther. 2007 Jun;321(3):1144-53. Epub 2007 Mar 14." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000835 GRM8 O00222 GRM8_HUMAN 17360958; 16957773 "Suzuki G, Kimura T, Satow A, Kaneko N, Fukuda J, Hikichi H, Sakai N, Maehara S, Kawagoe-Takaki H, Hata M, Azuma T, Ito S, Kawamoto H, Ohta H: Pharmacological characterization of a new, orally active and potent allosteric metabotropic glutamate receptor 1 antagonist, 4-[1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-isopropyl-N-methyl- 3,6-dihydropyridine-1(2H)-carboxamide (FTIDC). J Pharmacol Exp Ther. 2007 Jun;321(3):1144-53. Epub 2007 Mar 14.@@Morimoto R, Uehara S, Yatsushiro S, Juge N, Hua Z, Senoh S, Echigo N, Hayashi M, Mizoguchi T, Ninomiya T, Udagawa N, Omote H, Yamamoto A, Edwards RH, Moriyama Y: Secretion of L-glutamate from osteoclasts through transcytosis. EMBO J. 2006 Sep 20;25(18):4175-86. Epub 2006 Sep 7." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0002267 SLC1A7 O00341 EAA5_HUMAN 17139284; 17016423; 15128272; 9108121 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Takarada T, Hinoi E, Balcar VJ, Taniura H, Yoneda Y: Possible expression of functional glutamate transporters in the rat testis. J Endocrinol. 2004 May;181(2):233-44.@@Arriza JL, Eliasof S, Kavanaugh MP, Amara SG: Excitatory amino acid transporter 5, a retinal glutamate transporter coupled to a chloride conductance. Proc Natl Acad Sci U S A. 1997 Apr 15;94(8):4155-60." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0002235 PFAS O15067 PUR4_HUMAN 17139284; 17016423; 2347042 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Jayaram HN, Lui MS, Plowman J, Pillwein K, Reardon MA, Elliott WL, Weber G: Oncolytic activity and mechanism of action of a novel L-cysteine derivative, L-cysteine, ethyl ester, S-(N-methylcarbamate) monohydrochloride. Cancer Chemother Pharmacol. 1990;26(2):88-92." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000721 BCAT2 O15382 BCAT2_HUMAN 9681479; 21626103 "Hutson SM, Berkich D, Drown P, Xu B, Aschner M, LaNoue KF: Role of branched-chain aminotransferase isoenzymes and gabapentin in neurotransmitter metabolism. J Neurochem. 1998 Aug;71(2):863-74. doi: 10.1046/j.1471-4159.1998.71020863.x.@@Ola MS, Hosoya K, LaNoue KF: Influence of insulin on glutamine synthetase in the Muller glial cells of retina. Metab Brain Dis. 2011 Sep;26(3):195-202. doi: 10.1007/s11011-011-9245-y. Epub 2011 May 31." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000396 GRIN2D O15399 NMDE4_HUMAN 17139284; 17016423; 11755246; 8886398; 9417820 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Pliss L, Jezova D, Mares V, Balcar VJ, St'astny F: N-Acetyl-L-aspartyl-L-glutamate changes functional and structural properties of rat blood-brain barrier. Neurosci Lett. 2002 Jan 11;317(2):85-8.@@Bresink I, Benke TA, Collett VJ, Seal AJ, Parsons CG, Henley JM, Collingridge GL: Effects of memantine on recombinant rat NMDA receptors expressed in HEK 293 cells. Br J Pharmacol. 1996 Sep;119(2):195-204.@@Sundstrom E, Whittemore S, Mo LL, Seiger A: Analysis of NMDA receptors in the human spinal cord. Exp Neurol. 1997 Dec;148(2):407-13." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000825 GLS O94925 GLSK_HUMAN 16824605; 16720907; 16815871; 16861819; 16952838 "Karmaker S, Saha TK, Yoshikawa Y, Yasui H, Sakurai H: A novel drug delivery system for type 1 diabetes: insulin-mimetic vanadyl-poly(gamma-glutamic acid) complex. J Inorg Biochem. 2006 Sep;100(9):1535-46. Epub 2006 May 24.@@Shi F, Xu Z, Cen P: Efficient production of poly-gamma-glutamic acid by Bacillus subtilis ZJU-7. Appl Biochem Biotechnol. 2006 Jun;133(3):271-82.@@Yang XX, Hu ZP, Xu AL, Duan W, Zhu YZ, Huang M, Sheu FS, Zhang Q, Bian JS, Chan E, Li X, Wang JC, Zhou SF: A mechanistic study on reduced toxicity of irinotecan by coadministered thalidomide, a tumor necrosis factor-alpha inhibitor. J Pharmacol Exp Ther. 2006 Oct;319(1):82-104. Epub 2006 Jun 30.@@Ashiuchi M, Shimanouchi K, Horiuchi T, Kamei T, Misono H: Genetically engineered poly-gamma-glutamate producer from Bacillus subtilis ISW1214. Biosci Biotechnol Biochem. 2006 Jul;70(7):1794-7.@@Ashiuchi M, Nakamura H, Yamamoto M, Misono H: Novel poly-gamma-glutamate-processing enzyme catalyzing gamma-glutamyl DD-amidohydrolysis. J Biosci Bioeng. 2006 Jul;102(1):60-5." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000383 GOT2 P00505 AATM_HUMAN 17139284; 17016423; 261660; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Recasens M, Mandel P: Similarities between cysteinesulphinate transaminase and aspartate aminotransferase. Ciba Found Symp. 1979;(72):259-70.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000188 EPRS P07814 SYEP_HUMAN 17139284; 17016423; 9063462; 8132637 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Cerini C, Semeriva M, Gratecos D: Evolution of the aminoacyl-tRNA synthetase family and the organization of the Drosophila glutamyl-prolyl-tRNA synthetase gene. Intron/exon structure of the gene, control of expression of the two mRNAs, selective advantage of the multienzyme complex. Eur J Biochem. 1997 Feb 15;244(1):176-85.@@Ting SM, Dignam JD: Post-transcriptional regulation of glutamyl-prolyl-tRNA synthetase in rat salivary gland. J Biol Chem. 1994 Mar 25;269(12):8993-8." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000219 ASNS P08243 ASNS_HUMAN 8608142 "Boehlein SK, Schuster SM, Richards NG: Glutamic acid gamma-monohydroxamate and hydroxylamine are alternate substrates for Escherichia coli asparagine synthetase B. Biochemistry. 1996 Mar 5;35(9):3031-7. doi: 10.1021/bi952505l." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000667 GPT P24298 ALAT1_HUMAN 16854580 "Ohgami N, Upadhyay S, Kabata A, Morimoto K, Kusakabe H, Suzuki H: Determination of the activities of glutamic oxaloacetic transaminase and glutamic pyruvic transaminase in a microfluidic system. Biosens Bioelectron. 2007 Feb 15;22(7):1330-6. Epub 2006 Jul 18." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000884 SLC1A2 P43004 EAA2_HUMAN 16718509; 16959378; 17088867; 16855093 "King N, Lin H, McGivan JD, Suleiman MS: Expression and activity of the glutamate transporter EAAT2 in cardiac hypertrophy: implications for ischaemia reperfusion injury. Pflugers Arch. 2006 Sep;452(6):674-82. Epub 2006 May 23.@@Nickell J, Salvatore MF, Pomerleau F, Apparsundaram S, Gerhardt GA: Reduced plasma membrane surface expression of GLAST mediates decreased glutamate regulation in the aged striatum. Neurobiol Aging. 2007 Nov;28(11):1737-48. Epub 2006 Sep 7.@@Beart PM, O'Shea RD: Transporters for L-glutamate: an update on their molecular pharmacology and pathological involvement. Br J Pharmacol. 2007 Jan;150(1):5-17. Epub 2006 Nov 6.@@Glowatzki E, Cheng N, Hiel H, Yi E, Tanaka K, Ellis-Davies GC, Rothstein JD, Bergles DE: The glutamate-aspartate transporter GLAST mediates glutamate uptake at inner hair cell afferent synapses in the mammalian cochlea. J Neurosci. 2006 Jul 19;26(29):7659-64." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0001054 SLC1A1 P43005 EAA3_HUMAN 16831195; 17382927; 17389249; 16959378 "Menaker D, Bendahan A, Kanner BI: The substrate specificity of a neuronal glutamate transporter is determined by the nature of the coupling ion. J Neurochem. 2006 Oct;99(1):20-8. Epub 2006 Jul 11.@@Yun JY, Park KS, Kim JH, Do SH, Zuo Z: Propofol reverses oxidative stress-attenuated glutamate transporter EAAT3 activity: evidence of protein kinase C involvement. Eur J Pharmacol. 2007 Jun 22;565(1-3):83-8. Epub 2007 Mar 3.@@Tao Z, Grewer C: Cooperation of the conserved aspartate 439 and bound amino acid substrate is important for high-affinity Na+ binding to the glutamate transporter EAAC1. J Gen Physiol. 2007 Apr;129(4):331-44.@@Nickell J, Salvatore MF, Pomerleau F, Apparsundaram S, Gerhardt GA: Reduced plasma membrane surface expression of GLAST mediates decreased glutamate regulation in the aged striatum. Neurobiol Aging. 2007 Nov;28(11):1737-48. Epub 2006 Sep 7." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000166 GCLC P48506 GSH1_HUMAN substrate 22995213 Lu SC: Glutathione synthesis. Biochim Biophys Acta. 2013 May;1830(5):3143-53. doi: 10.1016/j.bbagen.2012.09.008. Epub 2012 Sep 17. Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0002270 SLC1A6 P48664 EAA4_HUMAN 17139284; 17016423; 9224806; 9838098 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Gegelashvili G, Schousboe A: High affinity glutamate transporters: regulation of expression and activity. Mol Pharmacol. 1997 Jul;52(1):6-15.@@Lin CL, Tzingounis AV, Jin L, Furuta A, Kavanaugh MP, Rothstein JD: Molecular cloning and expression of the rat EAAT4 glutamate transporter subtype. Brain Res Mol Brain Res. 1998 Dec 10;63(1):174-9." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000321 GMPS P49915 GUAA_HUMAN 17139284; 17016423; 12069605; 16142895; 7907328 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Ravasio S, Dossena L, Martin-Figueroa E, Florencio FJ, Mattevi A, Morandi P, Curti B, Vanoni MA: Properties of the recombinant ferredoxin-dependent glutamate synthase of Synechocystis PCC6803. Comparison with the Azospirillum brasilense NADPH-dependent enzyme and its isolated alpha subunit. Biochemistry. 2002 Jun 25;41(25):8120-33.@@Myers RS, Amaro RE, Luthey-Schulten ZA, Davisson VJ: Reaction coupling through interdomain contacts in imidazole glycerol phosphate synthase. Biochemistry. 2005 Sep 13;44(36):11974-85.@@Boehlein SK, Richards NG, Schuster SM: Glutamine-dependent nitrogen transfer in Escherichia coli asparagine synthetase B. Searching for the catalytic triad. J Biol Chem. 1994 Mar 11;269(10):7450-7." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000517 BCAT1 P54687 BCAT1_HUMAN 17559390 "Smirnov SV, Samsonova NN, Novikova AE, Matrosov NG, Rushkevich NY, Kodera T, Ogawa J, Yamanaka H, Shimizu S: A novel strategy for enzymatic synthesis of 4-hydroxyisoleucine: identification of an enzyme possessing HMKP (4-hydroxy-3-methyl-2-keto-pentanoate) aldolase activity. FEMS Microbiol Lett. 2007 Aug;273(1):70-7. Epub 2007 Jun 6." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000365 GRIN1 Q05586 NMDZ1_HUMAN 17662248 "Miglio G, Dianzani C, Fallarini S, Fantozzi R, Lombardi G: Stimulation of N-methyl-D-aspartate receptors modulates Jurkat T cell growth and adhesion to fibronectin. Biochem Biophys Res Commun. 2007 Sep 21;361(2):404-9. Epub 2007 Jul 20." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000700 FPGS Q05932 FOLC_HUMAN 16686541; 16990006 "DeMartino JK, Hwang I, Xu L, Wilson IA, Boger DL: Discovery of a potent, nonpolyglutamatable inhibitor of glycinamide ribonucleotide transformylase. J Med Chem. 2006 May 18;49(10):2998-3002.@@Gangjee A, Yang J, McGuire JJ, Kisliuk RL: Synthesis and evaluation of a classical 2,4-diamino-5-substituted-furo[2,3-d]pyrimidine and a 2-amino-4-oxo-6-substituted-pyrrolo[2,3-d]pyrimidine as antifolates. Bioorg Med Chem. 2006 Dec 15;14(24):8590-8. Epub 2006 Sep 20." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0002271 ENPEP Q07075 AMPE_HUMAN 17139284; 17016423; 7448199; 11732752; 8568030 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Tobe H, Kojima F, Aoyagi T, Umezawa H: Purification by affinity chromatography using amastatin and properties of aminopeptidase A from pig kidney. Biochim Biophys Acta. 1980 Jun 13;613(2):459-68.@@Acarturk F, Parlatan ZI, Saracoglu OF: Comparison of vaginal aminopeptidase enzymatic activities in various animals and in humans. J Pharm Pharmacol. 2001 Nov;53(11):1499-504.@@Sasaki M, Bosman BW, Tan PS: Comparison of proteolytic activities in various lactobacilli. J Dairy Res. 1995 Nov;62(4):601-10." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000760 GRIN2A Q12879 NMDE1_HUMAN 17139284; 17016423; 12068077; 11080203; 8886398 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Rutter AR, Freeman FM, Stephenson FA: Further characterization of the molecular interaction between PSD-95 and NMDA receptors: the effect of the NR1 splice variant and evidence for modulation of channel gating. J Neurochem. 2002 Jun;81(6):1298-307.@@Rutter AR, Stephenson FA: Coexpression of postsynaptic density-95 protein with NMDA receptors results in enhanced receptor expression together with a decreased sensitivity to L-glutamate. J Neurochem. 2000 Dec;75(6):2501-10.@@Bresink I, Benke TA, Collett VJ, Seal AJ, Parsons CG, Henley JM, Collingridge GL: Effects of memantine on recombinant rat NMDA receptors expressed in HEK 293 cells. Br J Pharmacol. 1996 Sep;119(2):195-204." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000417 GRIN2B Q13224 NMDE2_HUMAN 17229973; 17662248 "Verkhratsky A, Kirchhoff F: NMDA Receptors in glia. Neuroscientist. 2007 Feb;13(1):28-37.@@Miglio G, Dianzani C, Fallarini S, Fantozzi R, Lombardi G: Stimulation of N-methyl-D-aspartate receptors modulates Jurkat T cell growth and adhesion to fibronectin. Biochem Biophys Res Commun. 2007 Sep 21;361(2):404-9. Epub 2007 Jul 20." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0002272 EARS2 Q5JPH6 SYEM_HUMAN 17161369 "Sekine S, Shichiri M, Bernier S, Chenevert R, Lapointe J, Yokoyama S: Structural bases of transfer RNA-dependent amino acid recognition and activation by glutamyl-tRNA synthetase. Structure. 2006 Dec;14(12):1791-9." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0002244 NADSYN1 Q6IA69 NADE_HUMAN product of 19647806 "Resto M, Yaffe J, Gerratana B: An ancestral glutamine-dependent NAD(+) synthetase revealed by poor kinetic synergism. Biochim Biophys Acta. 2009 Nov;1794(11):1648-53. doi: 10.1016/j.bbapap.2009.07.014. Epub 2009 Aug 6." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000641 GRIN3A Q8TCU5 NMD3A_HUMAN 16641235 "Yao Y, Mayer ML: Characterization of a soluble ligand binding domain of the NMDA receptor regulatory subunit NR3A. J Neurosci. 2006 Apr 26;26(17):4559-66. doi: 10.1523/JNEUROSCI.0560-06.2006." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000073 AASS Q9UDR5 AASS_HUMAN 17139284; 17016423; 9249048; 12226216; 687635 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Gaziola SA, Teixeira CM, Lugli J, Sodek L, Azevedo RA: The enzymology of lysine catabolism in rice seeds--isolation, characterization, and regulatory properties of a lysine 2-oxoglutarate reductase/saccharopine dehydrogenase bifunctional polypeptide. Eur J Biochem. 1997 Jul 1;247(1):364-71.@@Goncalves-Butruille M, Szajner P, Torigoi E, Leite A, Arruda P: Purification and Characterization of the Bifunctional Enzyme Lysine-Ketoglutarate Reductase-Saccharopine Dehydrogenase from Maize. Plant Physiol. 1996 Mar;110(3):765-771.@@Noda C, Ichihara A: Purification and properties of L-lysine-alpha-ketoglutarate reductase from rat liver mitochondria. Biochim Biophys Acta. 1978 Aug 7;525(2):307-13." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000003 GLS2 Q9UI32 GLSL_HUMAN 17373776; 17321558; 16793004 "Dossena L, Curti B, Vanoni MA: Activation and coupling of the glutaminase and synthase reaction of glutamate synthase is mediated by E1013 of the ferredoxin-dependent enzyme, belonging to loop 4 of the synthase domain. Biochemistry. 2007 Apr 17;46(15):4473-85. Epub 2007 Mar 21.@@Kita K, Suzuki T, Ochi T: Down-regulation of glutaminase C in human hepatocarcinoma cell by diphenylarsinic acid, a degradation product of chemical warfare agents. Toxicol Appl Pharmacol. 2007 May 1;220(3):262-70. Epub 2007 Jan 24.@@Yoshimune K, Shirakihara Y, Shiratori A, Wakayama M, Chantawannakul P, Moriguchi M: Crystal structure of a major fragment of the salt-tolerant glutaminase from Micrococcus luteus K-3. Biochem Biophys Res Commun. 2006 Aug 11;346(4):1118-24. Epub 2006 Jun 6." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000030 SLC7A11 Q9UPY5 XCT_HUMAN 16719820 "Natale NR, Magnusson KR, Nelson JK: Can selective ligands for glutamate binding proteins be rationally designed? Curr Top Med Chem. 2006;6(8):823-47." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0004640 CPQ Q9Y646 CBPQ_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000180 GLUD1 P00367 DHE3_HUMAN 17139284; 17016423; 8288265 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Anagnou NP, Seuanez H, Modi W, O'Brien SJ, Papamatheakis J, Moschonas NK: Chromosomal mapping of two members of the human glutamate dehydrogenase (GLUD) gene family to chromosomes 10q22.3-q23 and Xq22-q23. Hum Hered. 1993 Nov-Dec;43(6):351-6." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000346 GRIK1 P39086 GRIK1_HUMAN 17139284; 17016423; 9254673; 13129570; 10513575 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sahara Y, Noro N, Iida Y, Soma K, Nakamura Y: Glutamate receptor subunits GluR5 and KA-2 are coexpressed in rat trigeminal ganglion neurons. J Neurosci. 1997 Sep 1;17(17):6611-20.@@Valgeirsson J, Christensen JK, Kristensen AS, Pickering DS, Nielsen B, Fischer CH, Brauner-Osborne H, Nielsen EO, Krogsgaard-Larsen P, Madsen U: Synthesis and in vitro pharmacology at AMPA and kainate preferring glutamate receptors of 4-heteroarylmethylidene glutamate analogues. Bioorg Med Chem. 2003 Oct 1;11(20):4341-9.@@Stensbol TB, Borre L, Johansen TN, Egebjerg J, Madsen U, Ebert B, Krogsgaard-Larsen P: Resolution, absolute stereochemistry and molecular pharmacology of the enantiomers of ATPA. Eur J Pharmacol. 1999 Sep 10;380(2-3):153-62." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000640 GRIA1 P42261 GRIA1_HUMAN 17139284; 17016423; 1279377; 7679210; 7838123 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Stein E, Cox JA, Seeburg PH, Verdoorn TA: Complex pharmacological properties of recombinant alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionate receptor subtypes. Mol Pharmacol. 1992 Nov;42(5):864-71.@@Henley JM, Jenkins R, Hunt SP: Localisation of glutamate receptor binding sites and mRNAs to the dorsal horn of the rat spinal cord. Neuropharmacology. 1993 Jan;32(1):37-41.@@Li F, Owens N, Verdoorn TA: Functional effects of mutations in the putative agonist binding region of recombinant alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptors. Mol Pharmacol. 1995 Jan;47(1):148-54." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000606 GCLM P48507 GSH0_HUMAN 17000861 "Giordano G, White CC, McConnachie LA, Fernandez C, Kavanagh TJ, Costa LG: Neurotoxicity of domoic Acid in cerebellar granule neurons in a genetic model of glutathione deficiency. Mol Pharmacol. 2006 Dec;70(6):2116-26. Epub 2006 Sep 25." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000568 FOLH1 Q04609 FOLH1_HUMAN 17139284; 17016423; 11916141; 15837926; 15336276 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Rodriguez CE, Lu H, Martinez AR, Hu Y, Brunelle A, Berkman CE: Inhibition of glutamate carboxypeptidase II by phosphonamidothionate derivatives of glutamic acid. J Enzyme Inhib. 2001 Oct;16(4):359-65.@@Davis MI, Bennett MJ, Thomas LM, Bjorkman PJ: Crystal structure of prostate-specific membrane antigen, a tumor marker and peptidase. Proc Natl Acad Sci U S A. 2005 Apr 26;102(17):5981-6. Epub 2005 Apr 18.@@Maung J, Mallari JP, Girtsman TA, Wu LY, Rowley JA, Santiago NM, Brunelle AN, Berkman CE: Probing for a hydrophobic a binding register in prostate-specific membrane antigen with phenylalkylphosphonamidates. Bioorg Med Chem. 2004 Sep 15;12(18):4969-79." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000602 GAD2 Q05329 DCE2_HUMAN 16879709; 17600364; 17317763; 16643338; 17507169 "Wei J, Lin CH, Wu H, Jin Y, Lee YH, Wu JY: Activity-dependent cleavage of brain glutamic acid decarboxylase 65 by calpain. J Neurochem. 2006 Sep;98(5):1688-95. Epub 2006 Jul 31.@@Manto MU, Laute MA, Aguera M, Rogemond V, Pandolfo M, Honnorat J: Effects of anti-glutamic acid decarboxylase antibodies associated with neurological diseases. Ann Neurol. 2007 Jun;61(6):544-51.@@Pop SM, Wong CP, He Q, Wang Y, Wallet MA, Goudy KS, Tisch R: The type and frequency of immunoregulatory CD4+ T-cells govern the efficacy of antigen-specific immunotherapy in nonobese diabetic mice. Diabetes. 2007 May;56(5):1395-402. Epub 2007 Feb 22.@@Wang FY, Zhu RM, Maemura K, Hirata I, Katsu K, Watanabe M: Expression of gamma-aminobutyric acid and glutamic acid decarboxylases in rat descending colon and their relation to epithelial differentiation. Chin J Dig Dis. 2006;7(2):103-8.@@Castelli MP, Piras AP, Melis T, Succu S, Sanna F, Melis MR, Collu S, Ennas MG, Diaz G, Mackie K, Argiolas A: Cannabinoid CB1 receptors in the paraventricular nucleus and central control of penile erection: immunocytochemistry, autoradiography and behavioral studies. Neuroscience. 2007 Jun 15;147(1):197-206. Epub 2007 May 15." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000829 GRIA2 P42262 GRIA2_HUMAN 17139284; 17016423; 7679210; 1279377; 7838123 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Henley JM, Jenkins R, Hunt SP: Localisation of glutamate receptor binding sites and mRNAs to the dorsal horn of the rat spinal cord. Neuropharmacology. 1993 Jan;32(1):37-41.@@Stein E, Cox JA, Seeburg PH, Verdoorn TA: Complex pharmacological properties of recombinant alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionate receptor subtypes. Mol Pharmacol. 1992 Nov;42(5):864-71.@@Li F, Owens N, Verdoorn TA: Functional effects of mutations in the putative agonist binding region of recombinant alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptors. Mol Pharmacol. 1995 Jan;47(1):148-54." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000831 GRIA3 P42263 GRIA3_HUMAN 17139284; 17016423; 7679210 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Henley JM, Jenkins R, Hunt SP: Localisation of glutamate receptor binding sites and mRNAs to the dorsal horn of the rat spinal cord. Neuropharmacology. 1993 Jan;32(1):37-41." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000826 GRIK2 Q13002 GRIK2_HUMAN 17581967 "Wong AY, MacLean DM, Bowie D: Na+/Cl- dipole couples agonist binding to kainate receptor activation. J Neurosci. 2007 Jun 20;27(25):6800-9." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0000832 GRIK3 Q13003 GRIK3_HUMAN 17139284; 17016423; 1371217; 11058796; 8622118 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Bettler B, Egebjerg J, Sharma G, Pecht G, Hermans-Borgmeyer I, Moll C, Stevens CF, Heinemann S: Cloning of a putative glutamate receptor: a low affinity kainate-binding subunit. Neuron. 1992 Feb;8(2):257-65.@@Takeda M, Haga M, Yamada H, Kinoshita M, Otsuka M, Tsuboi S, Moriyama Y: Ionotropic glutamate receptors expressed in human retinoblastoma Y79 cells. Neurosci Lett. 2000 Nov 17;294(2):97-100.@@Stuhmer T, Amar M, Harvey RJ, Bermudez I, van Minnen J, Darlison MG: Structure and pharmacological properties of a molluscan glutamate-gated cation channel and its likely role in feeding behavior. J Neurosci. 1996 May 1;16(9):2869-80." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00142 Glutamic acid BE0010222 GOT1 P00505 AATM_HUMAN substrate 22876026 "Sookoian S, Pirola CJ: Alanine and aspartate aminotransferase and glutamine-cycling pathway: their roles in pathogenesis of metabolic syndrome. World J Gastroenterol. 2012 Aug 7;18(29):3775-81. doi: 10.3748/wjg.v18.i29.3775." Approved; Nutraceutical Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations" N[C@@H](CCC(O)=O)C(O)=O Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling disease; metabolic; drug_action 14451 46505816 D00007 PA449776 DAP000015 Glutamic_acid CHEMBL575060 25916 DB00143 Glutathione BE0000648 GSR P00390 GSHR_HUMAN 17303537; 17327255; 17338281; 17369902; 17512104 "Messarah M, Boulakoud MS, Boumendjel A, Abdennour C, El Feki A: The impact of thyroid activity variations on some oxidizing-stress parameters in rats. C R Biol. 2007 Feb;330(2):107-12. Epub 2006 Dec 12.@@Brocardo PS, Assini F, Franco JL, Pandolfo P, Muller YM, Takahashi RN, Dafre AL, Rodrigues AL: Zinc attenuates malathion-induced depressant-like behavior and confers neuroprotection in the rat brain. Toxicol Sci. 2007 May;97(1):140-8. Epub 2007 Feb 27.@@Guruvayoorappan C, Afira AH, Kuttan G: Antioxidant potential of Biophytum sensitivum extract in vitro and in vivo. J Basic Clin Physiol Pharmacol. 2006;17(4):255-67.@@Markaryan AA, Dubinskaya VA, Dargaeva TD: Peroxide-eliminating oxidoreductases as biosensors of antioxidant components of medicinal plants. Bull Exp Biol Med. 2006 Jul;142(1):55-6.@@Maity S, Roy S, Chaudhury S, Bhattacharya S: Antioxidant responses of the earthworm Lampito mauritii exposed to Pb and Zn contaminated soil. Environ Pollut. 2008 Jan;151(1):1-7. Epub 2007 May 23." Approved; Investigational; Nutraceutical Peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins" N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway drug_metabolism; disease; metabolic; drug_action 1951 46504598 D00014 PA449780 Glutathione CHEMBL1543 4890 DB00143 Glutathione BE0000185 GSS P48637 GSHB_HUMAN 17452339; 17607728; 17630655; 17401648; 17467761 "Herrera K, Cahoon RE, Kumaran S, Jez J: Reaction mechanism of glutathione synthetase from Arabidopsis thaliana: site-directed mutagenesis of active site residues. J Biol Chem. 2007 Jun 8;282(23):17157-65. Epub 2007 Apr 22.@@Mohanpuria P, Rana NK, Yadav SK: Cadmium induced oxidative stress influence on glutathione metabolic genes of Camellia sinensis (L.) O. Kuntze. Environ Toxicol. 2007 Aug;22(4):368-74.@@Forcella M, Berra E, Giacchini R, Parenti P: Antioxidant defenses preserve membrane transport activity in Chironomus riparius larvae exposed to anoxia. Arch Insect Biochem Physiol. 2007 Aug;65(4):181-94.@@Janaky R, Dohovics R, Saransaari P, Oja SS: Modulation of [3H]dopamine release by glutathione in mouse striatal slices. Neurochem Res. 2007 Aug;32(8):1357-64. Epub 2007 Mar 31.@@Bridges CC, Battle JR, Zalups RK: Transport of thiol-conjugates of inorganic mercury in human retinal pigment epithelial cells. Toxicol Appl Pharmacol. 2007 Jun 1;221(2):251-60. Epub 2007 Mar 23." Approved; Investigational; Nutraceutical Peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins" N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway drug_metabolism; disease; metabolic; drug_action 1951 46504598 D00014 PA449780 Glutathione CHEMBL1543 4890 DB00143 Glutathione BE0000808 GSTK1 Q9Y2Q3 GSTK1_HUMAN 17139284; 17016423; 14709161; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Robinson A, Huttley GA, Booth HS, Board PG: Modelling and bioinformatics studies of the human Kappa-class glutathione transferase predict a novel third glutathione transferase family with similarity to prokaryotic 2-hydroxychromene-2-carboxylate isomerases. Biochem J. 2004 May 1;379(Pt 3):541-52.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational; Nutraceutical Peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins" N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway drug_metabolism; disease; metabolic; drug_action 1951 46504598 D00014 PA449780 Glutathione CHEMBL1543 4890 DB00143 Glutathione BE0000815 GSTO1 P78417 GSTO1_HUMAN 17537474; 17617905 "Tulayakul P, Dong KS, Li JY, Manabe N, Kumagai S: The effect of feeding piglets with the diet containing green tea extracts or coumarin on in vitro metabolism of aflatoxin B1 by their tissues. Toxicon. 2007 Sep 1;50(3):339-48. Epub 2007 Apr 22.@@Harju TH, Peltoniemi MJ, Rytila PH, Soini Y, Salmenkivi KM, Board PG, Ruddock LW, Kinnula VL: Glutathione S-transferase omega in the lung and sputum supernatants of COPD patients. Respir Res. 2007 Jul 6;8:48." Approved; Investigational; Nutraceutical Peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins" N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway drug_metabolism; disease; metabolic; drug_action 1951 46504598 D00014 PA449780 Glutathione CHEMBL1543 4890 DB00143 Glutathione BE0002279 MGST3 O14880 MGST3_HUMAN 17632548 "Ago H, Kanaoka Y, Irikura D, Lam BK, Shimamura T, Austen KF, Miyano M: Crystal structure of a human membrane protein involved in cysteinyl leukotriene biosynthesis. Nature. 2007 Aug 2;448(7153):609-12. Epub 2007 Jul 15." Approved; Investigational; Nutraceutical Peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins" N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway drug_metabolism; disease; metabolic; drug_action 1951 46504598 D00014 PA449780 Glutathione CHEMBL1543 4890 DB00143 Glutathione BE0002283 ESD P10768 ESTD_HUMAN 17139284; 17016423; 12904537; 7397203; 2554783 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Yurimoto H, Lee B, Yano T, Sakai Y, Kato N: Physiological role of S-formylglutathione hydrolase in C(1) metabolism of the methylotrophic yeast Candida boidinii. Microbiology. 2003 Aug;149(Pt 8):1971-9.@@Neben I, Sahm H, Kula MR: Studies on an enzyme, S-formylglutathione hydrolase, of the dissimilatory pathway of methanol in Candida boidinii. Biochim Biophys Acta. 1980 Jul 10;614(1):81-91.@@Sabatier L, Hoffschir F, al Achkar WA, Turleau C, de Grouchy J, Dutrillaux B: The decrease of catalase or esterase D activity in patients with microdeletions of 11p or 13q does not increase their radiosensitivity. Ann Genet. 1989;32(3):144-8." Approved; Investigational; Nutraceutical Peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins" N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway drug_metabolism; disease; metabolic; drug_action 1951 46504598 D00014 PA449780 Glutathione CHEMBL1543 4890 DB00143 Glutathione BE0000889 GGT1 P19440 GGT1_HUMAN 17316176; 17545509; 17569287; 17644279; 17291629 "Ohkama-Ohtsu N, Zhao P, Xiang C, Oliver DJ: Glutathione conjugates in the vacuole are degraded by gamma-glutamyl transpeptidase GGT3 in Arabidopsis. Plant J. 2007 Mar;49(5):878-88.@@Martin MN, Saladores PH, Lambert E, Hudson AO, Leustek T: Localization of members of the gamma-glutamyl transpeptidase family identifies sites of glutathione and glutathione S-conjugate hydrolysis. Plant Physiol. 2007 Aug;144(4):1715-32. Epub 2007 Jun 1.@@Anilakumar KR, Nagaraj NS, Santhanam K: Reduction of hexachlorocyclohexane-induced oxidative stress and cytotoxicity in rat liver by Emblica officinalis gaertn. Indian J Exp Biol. 2007 May;45(5):450-4.@@Adamis PD, Panek AD, Eleutherio EC: Vacuolar compartmentation of the cadmium-glutathione complex protects Saccharomyces cerevisiae from mutagenesis. Toxicol Lett. 2007 Aug 30;173(1):1-7. Epub 2007 Jun 14.@@Zhu Y, Carvey PM, Ling Z: Altered glutathione homeostasis in animals prenatally exposed to lipopolysaccharide. Neurochem Int. 2007 Mar;50(4):671-80. Epub 2007 Jan 13." Approved; Investigational; Nutraceutical Peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins" N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway drug_metabolism; disease; metabolic; drug_action 1951 46504598 D00014 PA449780 Glutathione CHEMBL1543 4890 DB00143 Glutathione BE0002284 GLRX P35754 GLRX1_HUMAN 17512091; 17460036; 17327665; 17640917; 17431186 "Diwakar L, Kenchappa RS, Annepu J, Ravindranath V: Downregulation of glutaredoxin but not glutathione loss leads to mitochondrial dysfunction in female mice CNS: implications in excitotoxicity. Neurochem Int. 2007 Jul;51(1):37-46. Epub 2007 Apr 5.@@Rouhier N, Unno H, Bandyopadhyay S, Masip L, Kim SK, Hirasawa M, Gualberto JM, Lattard V, Kusunoki M, Knaff DB, Georgiou G, Hase T, Johnson MK, Jacquot JP: Functional, structural, and spectroscopic characterization of a glutathione-ligated [2Fe-2S] cluster in poplar glutaredoxin C1. Proc Natl Acad Sci U S A. 2007 May 1;104(18):7379-84. Epub 2007 Apr 25.@@Hakansson KO, Winther JR: Structure of glutaredoxin Grx1p C30S mutant from yeast. Acta Crystallogr D Biol Crystallogr. 2007 Mar;63(Pt 3):288-94. Epub 2007 Feb 21.@@Lu J, Chew EH, Holmgren A: Targeting thioredoxin reductase is a basis for cancer therapy by arsenic trioxide. Proc Natl Acad Sci U S A. 2007 Jul 24;104(30):12288-93. Epub 2007 Jul 18.@@Wang J, Pan S, Berk BC: Glutaredoxin mediates Akt and eNOS activation by flow in a glutathione reductase-dependent manner. Arterioscler Thromb Vasc Biol. 2007 Jun;27(6):1283-8. Epub 2007 Apr 12." Approved; Investigational; Nutraceutical Peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins" N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway drug_metabolism; disease; metabolic; drug_action 1951 46504598 D00014 PA449780 Glutathione CHEMBL1543 4890 DB00143 Glutathione BE0001135 GPX4 P36969 GPX4_HUMAN cofactor 17139284; 17016423; 12751792; 17503194; 14967915 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Moreno SG, Laux G, Brielmeier M, Bornkamm GW, Conrad M: Testis-specific expression of the nuclear form of phospholipid hydroperoxide glutathione peroxidase (PHGPx). Biol Chem. 2003 Apr;384(4):635-43.@@Baek IJ, Seo DS, Yon JM, Lee SR, Jin Y, Nahm SS, Jeong JH, Choo YK, Kang JK, Lee BJ, Yun YW, Nam SY: Tissue expression and cellular localization of phospholipid hydroperoxide glutathione peroxidase (PHGPx) mRNA in male mice. J Mol Histol. 2007 Jun;38(3):237-44. Epub 2007 May 15.@@Nam SY, Baek IJ, Lee BJ, In CH, Jung EY, Yon JM, Ahn B, Kang JK, Yu WJ, Yun YW: Effects of 17beta-estradiol and tamoxifen on the selenoprotein phospholipid hydroperoxide glutathione peroxidase (PHGPx) mRNA expression in male reproductive organs of rats. J Reprod Dev. 2003 Oct;49(5):389-96." Approved; Investigational; Nutraceutical Peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins" N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway drug_metabolism; disease; metabolic; drug_action 1951 46504598 D00014 PA449780 Glutathione CHEMBL1543 4890 DB00143 Glutathione BE0002285 GSTM5 P46439 GSTM5_HUMAN 17139284; 17016423; 11173863; 11684093 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Schnakenberg E, Breuer R, Werdin R, Dreikorn K, Schloot W: Susceptibility genes: GSTM1 and GSTM3 as genetic risk factors in bladder cancer. Cytogenet Cell Genet. 2000;91(1-4):234-8.@@Rao AV, Shaha C: Multiple glutathione S-transferase isoforms are present on male germ cell plasma membrane. FEBS Lett. 2001 Oct 26;507(2):174-80." Approved; Investigational; Nutraceutical Peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins" N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway drug_metabolism; disease; metabolic; drug_action 1951 46504598 D00014 PA449780 Glutathione CHEMBL1543 4890 DB00143 Glutathione BE0001825 HAGH Q16775 GLO2_HUMAN 17139284; 17016423; 11018726; 8589803; 3955057 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Ridderstrom M, Jemth P, Cameron AD, Mannervik B: The active-site residue tyr-175 in human glyoxalase II contributes to binding of glutathione derivatives. Biochim Biophys Acta. 2000 Sep 29;1481(2):344-8.@@Chyan MK, Elia AC, Principato GB, Giovannini E, Rosi G, Norton SJ: S-fluorenylmethoxycarbonyl glutathione and diesters: inhibition of mammalian glyoxalase II. Enzyme Protein. 1994-1995;48(3):164-73.@@Al-Timari A, Douglas KT: Inhibition by glutathione derivatives of bovine liver glyoxalase II (hydroxyacylglutathione hydrolase) as a probe of the N- and S-sites for substrate binding. Biochim Biophys Acta. 1986 Mar 28;870(2):219-25." Approved; Investigational; Nutraceutical Peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins" N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway drug_metabolism; disease; metabolic; drug_action 1951 46504598 D00014 PA449780 Glutathione CHEMBL1543 4890 DB00144 Phosphatidyl serine BE0000673 PISD Q9UG56 PISD_HUMAN 14660568; 15522831; 15522832; 15273086; 16246067 "Wu WI, Voelker DR: Reconstitution of phosphatidylserine transport from chemically defined donor membranes to phosphatidylserine decarboxylase 2 implicates specific lipid domains in the process. J Biol Chem. 2004 Feb 20;279(8):6635-42. Epub 2003 Dec 4.@@Burgermeister M, Birner-Grunberger R, Heyn M, Daum G: Contribution of different biosynthetic pathways to species selectivity of aminoglycerophospholipids assembled into mitochondrial membranes of the yeast Saccharomyces cerevisiae. Biochim Biophys Acta. 2004 Nov 8;1686(1-2):148-60.@@Burgermeister M, Birner-Grunberger R, Nebauer R, Daum G: Contribution of different pathways to the supply of phosphatidylethanolamine and phosphatidylcholine to mitochondrial membranes of the yeast Saccharomyces cerevisiae. Biochim Biophys Acta. 2004 Nov 8;1686(1-2):161-8.@@Roggero R, Zufferey R, Minca M, Richier E, Calas M, Vial H, Ben Mamoun C: Unraveling the mode of action of the antimalarial choline analog G25 in Plasmodium falciparum and Saccharomyces cerevisiae. Antimicrob Agents Chemother. 2004 Aug;48(8):2816-24.@@Voelker DR: Protein and lipid motifs regulate phosphatidylserine traffic in yeast. Biochem Soc Trans. 2005 Nov;33(Pt 5):1141-5." Investigational; Nutraceutical Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))" metabolic 46505650 PA164768860 Phosphatidylserine CHEMBL4297669 89959 DB00144 Phosphatidyl serine BE0000189 SCARB1 Q8WTV0 SCRB1_HUMAN 15541376; 14594995; 15791597; 16371234; 16530182 "Yan X, Poelstra K, Scherphof GL, Kamps JA: A role for scavenger receptor B-I in selective transfer of rhodamine-PE from liposomes to cells. Biochem Biophys Res Commun. 2004 Dec 17;325(3):908-14.@@Yancey PG, Kawashiri MA, Moore R, Glick JM, Williams DL, Connelly MA, Rader DJ, Rothblat GH: In vivo modulation of HDL phospholipid has opposing effects on SR-BI- and ABCA1-mediated cholesterol efflux. J Lipid Res. 2004 Feb;45(2):337-46. Epub 2003 Nov 1.@@Nakagawa A, Shiratsuchi A, Tsuda K, Nakanishi Y: In vivo analysis of phagocytosis of apoptotic cells by testicular Sertoli cells. Mol Reprod Dev. 2005 Jun;71(2):166-77.@@Zhang J, Fujii S, Wu Z, Hashioka S, Tanaka Y, Shiratsuchi A, Nakanishi Y, Nakanishi H: Involvement of COX-1 and up-regulated prostaglandin E synthases in phosphatidylserine liposome-induced prostaglandin E2 production by microglia. J Neuroimmunol. 2006 Mar;172(1-2):112-20. Epub 2005 Dec 20.@@Osada Y, Shiratsuchi A, Nakanishi Y: Involvement of mitogen-activated protein kinases in class B scavenger receptor type I-induced phagocytosis of apoptotic cells. Exp Cell Res. 2006 Jun 10;312(10):1820-30. Epub 2006 Mar 10." Investigational; Nutraceutical Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))" metabolic 46505650 PA164768860 Phosphatidylserine CHEMBL4297669 89959 DB00144 Phosphatidyl serine BE0001132 PRKCA P17252 KPCA_HUMAN 12269833; 14698304; 16114872; 17367165 "Yu D, Kazanietz MG, Harvey RG, Penning TM: Polycyclic aromatic hydrocarbon o-quinones inhibit the activity of the catalytic fragment of protein kinase C. Biochemistry. 2002 Oct 1;41(39):11888-94.@@Rodriguez-Alfaro JA, Gomez-Fernandez JC, Corbalan-Garcia S: Role of the lysine-rich cluster of the C2 domain in the phosphatidylserine-dependent activation of PKCalpha. J Mol Biol. 2004 Jan 23;335(4):1117-29.@@Lopez-Andreo MJ, Torrecillas A, Conesa-Zamora P, Corbalan-Garcia S, Gomez-Fernandez JC: Retinoic acid as a modulator of the activity of protein kinase Calpha. Biochemistry. 2005 Aug 30;44(34):11353-60.@@Corbin JA, Evans JH, Landgraf KE, Falke JJ: Mechanism of specific membrane targeting by C2 domains: localized pools of target lipids enhance Ca2+ affinity. Biochemistry. 2007 Apr 10;46(14):4322-36. Epub 2007 Mar 17." Investigational; Nutraceutical Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))" metabolic 46505650 PA164768860 Phosphatidylserine CHEMBL4297669 89959 DB00144 Phosphatidyl serine BE0001099 PTDSS1 P48651 PTSS1_HUMAN 12761285; 12912985; 15130088; 16627002 "Kuge O, Nishijima M: Biosynthetic regulation and intracellular transport of phosphatidylserine in mammalian cells. J Biochem. 2003 Apr;133(4):397-403.@@Kuge O, Hasegawa K, Ohsawa T, Saito K, Nishijima M: Purification and characterization of Chinese hamster phosphatidylserine synthase 2. J Biol Chem. 2003 Oct 24;278(43):42692-8. Epub 2003 Aug 11.@@Ohsawa T, Nishijima M, Kuge O: Functional analysis of Chinese hamster phosphatidylserine synthase 1 through systematic alanine mutagenesis. Biochem J. 2004 Aug 1;381(Pt 3):853-9.@@Steenbergen R, Nanowski TS, Nelson R, Young SG, Vance JE: Phospholipid homeostasis in phosphatidylserine synthase-2-deficient mice. Biochim Biophys Acta. 2006 Mar;1761(3):313-23. Epub 2006 Mar 31." Investigational; Nutraceutical Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))" metabolic 46505650 PA164768860 Phosphatidylserine CHEMBL4297669 89959 DB00144 Phosphatidyl serine BE0002296 DGKG P49619 DGKG_HUMAN 16905533 "Yamaguchi Y, Shirai Y, Matsubara T, Sanse K, Kuriyama M, Oshiro N, Yoshino K, Yonezawa K, Ono Y, Saito N: Phosphorylation and up-regulation of diacylglycerol kinase gamma via its interaction with protein kinase C gamma. J Biol Chem. 2006 Oct 20;281(42):31627-37. Epub 2006 Aug 11." Investigational; Nutraceutical Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))" metabolic 46505650 PA164768860 Phosphatidylserine CHEMBL4297669 89959 DB00144 Phosphatidyl serine BE0002297 DGKD Q16760 DGKD_HUMAN 17139284; 17016423; 11309392; 8626538 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Bregoli L, Baldassare JJ, Raben DM: Nuclear diacylglycerol kinase-theta is activated in response to alpha-thrombin. J Biol Chem. 2001 Jun 29;276(26):23288-95. Epub 2001 Apr 17.@@Sakane F, Imai S, Kai M, Wada I, Kanoh H: Molecular cloning of a novel diacylglycerol kinase isozyme with a pleckstrin homology domain and a C-terminal tail similar to those of the EPH family of protein-tyrosine kinases. J Biol Chem. 1996 Apr 5;271(14):8394-401." Investigational; Nutraceutical Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))" metabolic 46505650 PA164768860 Phosphatidylserine CHEMBL4297669 89959 DB00144 Phosphatidyl serine BE0002299 PTDSS2 Q9BVG9 PTSS2_HUMAN 12361952; 15052332; 12833164; 14984733; 17387686 "Bergo MO, Gavino BJ, Steenbergen R, Sturbois B, Parlow AF, Sanan DA, Skarnes WC, Vance JE, Young SG: Defining the importance of phosphatidylserine synthase 2 in mice. J Biol Chem. 2002 Dec 6;277(49):47701-8. Epub 2002 Oct 1.@@Vance JE, Vance DE: Phospholipid biosynthesis in mammalian cells. Biochem Cell Biol. 2004 Feb;82(1):113-28.@@Dygas A, Baranska J, Santella L: Ca2+-dependent phosphatidylserine synthesis in immature and mature starfish oocytes. Acta Biochim Pol. 2003;50(2):377-87.@@Grandmaison PA, Nanowski TS, Vance JE: Externalization of phosphatidylserine during apoptosis does not specifically require either isoform of phosphatidylserine synthase. Biochim Biophys Acta. 2004 Feb 27;1636(1):1-11.@@Wen Z, Kim HY: Inhibition of phosphatidylserine biosynthesis in developing rat brain by maternal exposure to ethanol. J Neurosci Res. 2007 May 15;85(7):1568-78." Investigational; Nutraceutical Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))" metabolic 46505650 PA164768860 Phosphatidylserine CHEMBL4297669 89959 DB00144 Phosphatidyl serine BE0002301 SMPD3 Q9NY59 NSMA2_HUMAN 16517606; 12566438 "Krut O, Wiegmann K, Kashkar H, Yazdanpanah B, Kronke M: Novel tumor necrosis factor-responsive mammalian neutral sphingomyelinase-3 is a C-tail-anchored protein. J Biol Chem. 2006 May 12;281(19):13784-93. Epub 2006 Mar 3.@@Marchesini N, Luberto C, Hannun YA: Biochemical properties of mammalian neutral sphingomyelinase 2 and its role in sphingolipid metabolism. J Biol Chem. 2003 Apr 18;278(16):13775-83. Epub 2003 Feb 3." Investigational; Nutraceutical Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))" metabolic 46505650 PA164768860 Phosphatidylserine CHEMBL4297669 89959 DB00144 Phosphatidyl serine BE0001001 ATP8A1 Q9Y2Q0 AT8A1_HUMAN 12697835; 15971000; 16179347; 16618126 "Bettache N, Baisamy L, Baghdiguian S, Payrastre B, Mangeat P, Bienvenue A: Mechanical constraint imposed on plasma membrane through transverse phospholipid imbalance induces reversible actin polymerization via phosphoinositide 3-kinase activation. J Cell Sci. 2003 Jun 1;116(Pt 11):2277-84. Epub 2003 Apr 15.@@Wolfs JL, Comfurius P, Rasmussen JT, Keuren JF, Lindhout T, Zwaal RF, Bevers EM: Activated scramblase and inhibited aminophospholipid translocase cause phosphatidylserine exposure in a distinct platelet fraction. Cell Mol Life Sci. 2005 Jul;62(13):1514-25.@@Mandal D, Mazumder A, Das P, Kundu M, Basu J: Fas-, caspase 8-, and caspase 3-dependent signaling regulates the activity of the aminophospholipid translocase and phosphatidylserine externalization in human erythrocytes. J Biol Chem. 2005 Nov 25;280(47):39460-7. Epub 2005 Sep 22.@@Paterson JK, Renkema K, Burden L, Halleck MS, Schlegel RA, Williamson P, Daleke DL: Lipid specific activation of the murine P4-ATPase Atp8a1 (ATPase II). Biochemistry. 2006 Apr 25;45(16):5367-76." Investigational; Nutraceutical Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))" metabolic 46505650 PA164768860 Phosphatidylserine CHEMBL4297669 89959 DB00145 Glycine BE0000998 GARS P41250 SYG_HUMAN substrate 17150752; 17433503; 16982409; 17544401; 17035524 "Okamoto K, Kuno A, Hasegawa T: Recognition sites of glycine tRNA for glycyl-tRNA synthetase from hyperthermophilic archaeon, Aeropyrum pernix K1. Nucleic Acids Symp Ser (Oxf). 2005;(49):299-300.@@Tsang SW, Vinters HV, Cummings JL, Wong PT, Chen CP, Lai MK: Alterations in NMDA receptor subunit densities and ligand binding to glycine recognition sites are associated with chronic anxiety in Alzheimer's disease. Neurobiol Aging. 2008 Oct;29(10):1524-32. Epub 2007 Apr 11.@@Scherer SS: Inherited neuropathies: new genes don't fit old models. Neuron. 2006 Sep 21;51(6):672-4.@@Cader MZ, Ren J, James PA, Bird LE, Talbot K, Stammers DK: Crystal structure of human wildtype and S581L-mutant glycyl-tRNA synthetase, an enzyme underlying distal spinal muscular atrophy. FEBS Lett. 2007 Jun 26;581(16):2959-64. Epub 2007 May 29.@@Antonellis A, Lee-Lin SQ, Wasterlain A, Leo P, Quezado M, Goldfarb LG, Myung K, Burgess S, Fischbeck KH, Green ED: Functional analyses of glycyl-tRNA synthetase mutations suggest a key role for tRNA-charging enzymes in peripheral axons. J Neurosci. 2006 Oct 11;26(41):10397-406." Approved; Nutraceutical; Vet_approved Alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins" NCC(O)=O gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling disease; metabolic; drug_action 8865 46508219 D00011 PA449789 DAP000288 Glycine CHEMBL773 4919 DB00145 Glycine BE0000760 GRIN2A Q12879 NMDE1_HUMAN antagonist 17360906; 17403555; 17513636; 17646495; 17405869; 11752352 "Liu Y, Wong TP, Aarts M, Rooyakkers A, Liu L, Lai TW, Wu DC, Lu J, Tymianski M, Craig AM, Wang YT: NMDA receptor subunits have differential roles in mediating excitotoxic neuronal death both in vitro and in vivo. J Neurosci. 2007 Mar 14;27(11):2846-57.@@Domingues A, Almeida S, da Cruz e Silva EF, Oliveira CR, Rego AC: Toxicity of beta-amyloid in HEK293 cells expressing NR1/NR2A or NR1/NR2B N-methyl-D-aspartate receptor subunits. Neurochem Int. 2007 May;50(6):872-80. Epub 2007 Mar 7.@@Brosnan RJ, Yang L, Milutinovic PS, Zhao J, Laster MJ, Eger EI 2nd, Sonner JM: Ammonia has anesthetic properties. Anesth Analg. 2007 Jun;104(6):1430-3, table of contents.@@Milutinovic PS, Yang L, Cantor RS, Eger EI 2nd, Sonner JM: Anesthetic-like modulation of a gamma-aminobutyric acid type A, strychnine-sensitive glycine, and N-methyl-d-aspartate receptors by coreleased neurotransmitters. Anesth Analg. 2007 Aug;105(2):386-92.@@Gabra BH, Kessler FK, Ritter JK, Dewey WL, Smith FL: Decrease in N-methyl-D-aspartic acid receptor-NR2B subunit levels by intrathecal short-hairpin RNA blocks group I metabotropic glutamate receptor-mediated hyperalgesia. J Pharmacol Exp Ther. 2007 Jul;322(1):186-94. Epub 2007 Apr 3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Nutraceutical; Vet_approved Alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins" NCC(O)=O gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling disease; metabolic; drug_action 8865 46508219 D00011 PA449789 DAP000288 Glycine CHEMBL773 4919 DB00145 Glycine BE0000185 GSS P48637 GSHB_HUMAN substrate 17452339; 16996193; 17397529; 17124497; 17401648 "Herrera K, Cahoon RE, Kumaran S, Jez J: Reaction mechanism of glutathione synthetase from Arabidopsis thaliana: site-directed mutagenesis of active site residues. J Biol Chem. 2007 Jun 8;282(23):17157-65. Epub 2007 Apr 22.@@Ducruix C, Junot C, Fievet JB, Villiers F, Ezan E, Bourguignon J: New insights into the regulation of phytochelatin biosynthesis in A. thaliana cells from metabolite profiling analyses. Biochimie. 2006 Nov;88(11):1733-42. Epub 2006 Sep 7.@@Ristoff E, Larsson A: Inborn errors in the metabolism of glutathione. Orphanet J Rare Dis. 2007 Mar 30;2:16.@@Pai CH, Chiang BY, Ko TP, Chou CC, Chong CM, Yen FJ, Chen S, Coward JK, Wang AH, Lin CH: Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase. EMBO J. 2006 Dec 13;25(24):5970-82. Epub 2006 Nov 23.@@Janaky R, Dohovics R, Saransaari P, Oja SS: Modulation of [3H]dopamine release by glutathione in mouse striatal slices. Neurochem Res. 2007 Aug;32(8):1357-64. Epub 2007 Mar 31." Approved; Nutraceutical; Vet_approved Alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins" NCC(O)=O gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling disease; metabolic; drug_action 8865 46508219 D00011 PA449789 DAP000288 Glycine CHEMBL773 4919 DB00145 Glycine BE0002306 GLYATL2 Q8WU03 GLYL2_HUMAN substrate 20305126 "Waluk DP, Schultz N, Hunt MC: Identification of glycine N-acyltransferase-like 2 (GLYATL2) as a transferase that produces N-acyl glycines in humans. FASEB J. 2010 Aug;24(8):2795-803. doi: 10.1096/fj.09-148551. Epub 2010 Mar 19." Approved; Nutraceutical; Vet_approved Alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins" NCC(O)=O gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling disease; metabolic; drug_action 8865 46508219 D00011 PA449789 DAP000288 Glycine CHEMBL773 4919 DB00145 Glycine BE0002307 GLYATL1 Q969I3 GLYL1_HUMAN substrate 22475485 "Matsuo M, Terai K, Kameda N, Matsumoto A, Kurokawa Y, Funase Y, Nishikawa K, Sugaya N, Hiruta N, Kishimoto T: Designation of enzyme activity of glycine-N-acyltransferase family genes and depression of glycine-N-acyltransferase in human hepatocellular carcinoma. Biochem Biophys Res Commun. 2012 Apr 20;420(4):901-6. doi: 10.1016/j.bbrc.2012.03.099. Epub 2012 Mar 27." Approved; Nutraceutical; Vet_approved Alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins" NCC(O)=O gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling disease; metabolic; drug_action 8865 46508219 D00011 PA449789 DAP000288 Glycine CHEMBL773 4919 DB00145 Glycine BE0002309 PIPOX Q9P0Z9 SOX_HUMAN product of 14766747 "Goyer A, Johnson TL, Olsen LJ, Collakova E, Shachar-Hill Y, Rhodes D, Hanson AD: Characterization and metabolic function of a peroxisomal sarcosine and pipecolate oxidase from Arabidopsis. J Biol Chem. 2004 Apr 23;279(17):16947-53. doi: 10.1074/jbc.M400071200. Epub 2004 Feb 6." Approved; Nutraceutical; Vet_approved Alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins" NCC(O)=O gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling disease; metabolic; drug_action 8865 46508219 D00011 PA449789 DAP000288 Glycine CHEMBL773 4919 DB00145 Glycine BE0000433 GLRA1 P23415 GLRA1_HUMAN ligand 17154252; 16884688 "Heinze L, Harvey RJ, Haverkamp S, Wassle H: Diversity of glycine receptors in the mouse retina: localization of the alpha4 subunit. J Comp Neurol. 2007 Feb 1;500(4):693-707.@@Eulenburg V, Becker K, Gomeza J, Schmitt B, Becker CM, Betz H: Mutations within the human GLYT2 (SLC6A5) gene associated with hyperekplexia. Biochem Biophys Res Commun. 2006 Sep 22;348(2):400-5. Epub 2006 Jul 26." Approved; Nutraceutical; Vet_approved Alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins" NCC(O)=O gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling disease; metabolic; drug_action 8865 46508219 D00011 PA449789 DAP000288 Glycine CHEMBL773 4919 DB00145 Glycine BE0000331 SHMT1 P34896 GLYC_HUMAN product of 17142057; 17355947; 17664250; 17150100; 16876889 "Vatsyayan R, Roy U: Molecular cloning and biochemical characterization of Leishmania donovani serine hydroxymethyltransferase. Protein Expr Purif. 2007 Apr;52(2):433-40. Epub 2006 Oct 26.@@Rajinikanth M, Harding SA, Tsai CJ: The glycine decarboxylase complex multienzyme family in Populus. J Exp Bot. 2007;58(7):1761-70. Epub 2007 Mar 12.@@Chang WN, Tsai JN, Chen BH, Huang HS, Fu TF: Serine hydroxymethyltransferase isoforms are differentially inhibited by leucovorin: characterization and comparison of recombinant zebrafish serine hydroxymethyltransferases. Drug Metab Dispos. 2007 Nov;35(11):2127-37. doi: 10.1124/dmd.107.016840. Epub 2007 Jul 30.@@Nijhout HF, Reed MC, Lam SL, Shane B, Gregory JF 3rd, Ulrich CM: In silico experimentation with a model of hepatic mitochondrial folate metabolism. Theor Biol Med Model. 2006 Dec 6;3:40.@@Gagnon D, Foucher A, Girard I, Ouellette M: Stage specific gene expression and cellular localization of two isoforms of the serine hydroxymethyltransferase in the protozoan parasite Leishmania. Mol Biochem Parasitol. 2006 Nov;150(1):63-71. Epub 2006 Jul 13." Approved; Nutraceutical; Vet_approved Alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins" NCC(O)=O gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling disease; metabolic; drug_action 8865 46508219 D00011 PA449789 DAP000288 Glycine CHEMBL773 4919 DB00145 Glycine BE0000414 GLRA3 O75311 GLRA3_HUMAN ligand 17154252; 17550639 "Heinze L, Harvey RJ, Haverkamp S, Wassle H: Diversity of glycine receptors in the mouse retina: localization of the alpha4 subunit. J Comp Neurol. 2007 Feb 1;500(4):693-707.@@Majumdar S, Heinze L, Haverkamp S, Ivanova E, Wassle H: Glycine receptors of A-type ganglion cells of the mouse retina. Vis Neurosci. 2007 Jul-Aug;24(4):471-87. Epub 2007 May 29." Approved; Nutraceutical; Vet_approved Alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins" NCC(O)=O gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling disease; metabolic; drug_action 8865 46508219 D00011 PA449789 DAP000288 Glycine CHEMBL773 4919 DB00145 Glycine BE0000745 GLRA2 P23416 GLRA2_HUMAN ligand 16847326; 17012403; 17550639 "Young-Pearse TL, Ivic L, Kriegstein AR, Cepko CL: Characterization of mice with targeted deletion of glycine receptor alpha 2. Mol Cell Biol. 2006 Aug;26(15):5728-34.@@Qi Z, Stephens NR, Spalding EP: Calcium entry mediated by GLR3.3, an Arabidopsis glutamate receptor with a broad agonist profile. Plant Physiol. 2006 Nov;142(3):963-71. Epub 2006 Sep 29.@@Majumdar S, Heinze L, Haverkamp S, Ivanova E, Wassle H: Glycine receptors of A-type ganglion cells of the mouse retina. Vis Neurosci. 2007 Jul-Aug;24(4):471-87. Epub 2007 May 29." Approved; Nutraceutical; Vet_approved Alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins" NCC(O)=O gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling disease; metabolic; drug_action 8865 46508219 D00011 PA449789 DAP000288 Glycine CHEMBL773 4919 DB00145 Glycine BE0000372 GNMT Q14749 GNMT_HUMAN substrate 17154529; 17158459; 16851960 "Soriano A, Castillo R, Christov C, Andres J, Moliner V, Tunon I: Catalysis in glycine N-methyltransferase: testing the electrostatic stabilization and compression hypothesis. Biochemistry. 2006 Dec 19;45(50):14917-25.@@Luka Z, Pakhomova S, Loukachevitch LV, Egli M, Newcomer ME, Wagner C: 5-methyltetrahydrofolate is bound in intersubunit areas of rat liver folate-binding protein glycine N-methyltransferase. J Biol Chem. 2007 Feb 9;282(6):4069-75. Epub 2006 Dec 7.@@Velichkova P, Himo F: Methyl transfer in glycine N-methyltransferase. A theoretical study. J Phys Chem B. 2005 Apr 28;109(16):8216-9." Approved; Nutraceutical; Vet_approved Alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins" NCC(O)=O gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling disease; metabolic; drug_action 8865 46508219 D00011 PA449789 DAP000288 Glycine CHEMBL773 4919 DB00146 Calcifediol BE0000779 VDR P11473 VDR_HUMAN agonist 15503649; 11752352 "Reinhart GA: Vitamin D analogs: novel therapeutic agents for cardiovascular disease? Curr Opin Investig Drugs. 2004 Sep;5(9):947-51.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Nutraceutical Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives "Vitamins; Cholestenes; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Vitamins (Fat Soluble); Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Anti-Parathyroid Agents; Diet, Food, and Nutrition; Vitamin D and Analogues; Lipids; Food; Calcium Homeostasis; Secosteroids; Micronutrients; Cholestanes; Sterols; Physiological Phenomena; Bone Density Conservation Agents; Membrane Lipids" C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C 22965 46505690 PA164745614 DAP000290 Calcifediol CHEMBL1040 1855064 DB00147 Pyridoxal BE0000042 PDXK O00764 PDXK_HUMAN 15985434; 16494569; 16978644 "Tang L, Li MH, Cao P, Wang F, Chang WR, Bach S, Reinhardt J, Ferandin Y, Galons H, Wan Y, Gray N, Meijer L, Jiang T, Liang DC: Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives. J Biol Chem. 2005 Sep 2;280(35):31220-9. Epub 2005 Jun 28.@@Adams JB, George F, Audhya T: Abnormally high plasma levels of vitamin B6 in children with autism not taking supplements compared to controls not taking supplements. J Altern Complement Med. 2006 Jan-Feb;12(1):59-63.@@Newman JA, Das SK, Sedelnikova SE, Rice DW: The crystal structure of an ADP complex of Bacillus subtilis pyridoxal kinase provides evidence for the parallel emergence of enzyme activity during evolution. J Mol Biol. 2006 Oct 20;363(2):520-30. Epub 2006 Aug 12." Experimental; Nutraceutical Pyridoxals and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes Supplements; Vitamins; Vitamin B Complex; Picolines; Dietary Supplements; Pyridines; Micronutrients CC1=NC=C(CO)C(C=O)=C1O "3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Isovaleric Aciduria; Isobutyryl-CoA Dehydrogenase Deficiency; Propionic Acidemia; 3-Hydroxyisobutyric Aciduria; 3-Hydroxyisobutyric Acid Dehydrogenase Deficiency; Hypophosphatasia; Vitamin B6 Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Methylmalonate Semialdehyde Dehydrogenase Deficiency; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Isovaleric Acidemia" disease; metabolic 46506282 PA164749166 Pyridoxal CHEMBL102970 9002 DB00148 Creatine BE0000410 CKMT2 P17540 KCRS_HUMAN ligand 17139284; 17016423; 10567223; 8399219; 9642223; 1731757 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Koufen P, Ruck A, Brdiczka D, Wendt S, Wallimann T, Stark G: Free radical-induced inactivation of creatine kinase: influence on the octameric and dimeric states of the mitochondrial enzyme (Mib-CK). Biochem J. 1999 Dec 1;344 Pt 2:413-7.@@Wyss M, James P, Schlegel J, Wallimann T: Limited proteolysis of creatine kinase. Implications for three-dimensional structure and for conformational substrates. Biochemistry. 1993 Oct 12;32(40):10727-35.@@Stachowiak O, Dolder M, Wallimann T, Richter C: Mitochondrial creatine kinase is a prime target of peroxynitrite-induced modification and inactivation. J Biol Chem. 1998 Jul 3;273(27):16694-9.@@Wallimann T, Wyss M, Brdiczka D, Nicolay K, Eppenberger HM: Intracellular compartmentation, structure and function of creatine kinase isoenzymes in tissues with high and fluctuating energy demands: the 'phosphocreatine circuit' for cellular energy homeostasis. Biochem J. 1992 Jan 1;281 ( Pt 1):21-40." Approved; Investigational; Nutraceutical Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Amidines; Guanidines; Dietary Supplements; Amino Acids, Peptides, and Proteins" CN(CC(O)=O)C(N)=N "Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Hyperornithinemia with Gyrate Atrophy (HOGA); Hyperprolinemia Type II; 3-Phosphoglycerate Dehydrogenase Deficiency; Non-Ketotic Hyperglycinemia; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Dimethylglycine Dehydrogenase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Arginine and Proline Metabolism; Prolinemia Type II; Sarcosinemia" disease; metabolic 46504868 PA164778930 Creatine CHEMBL283800 2907 DB00149 Leucine BE0000204 LARS2 Q15031 SYLM_HUMAN 17144674; 17095543; 17407263; 16774921; 17378584 "Ma JJ, Zhao MW, Wang ED: Split leucine-specific domain of leucyl-tRNA synthetase from the hyperthermophilic bacterium Aquifex aeolicus. Biochemistry. 2006 Dec 12;45(49):14809-16.@@Zhu B, Zhao MW, Eriani G, Wang ED: A present-day aminoacyl-tRNA synthetase with ancestral editing properties. RNA. 2007 Jan;13(1):15-21. Epub 2006 Nov 9.@@Vu MT, Martinis SA: A unique insert of leucyl-tRNA synthetase is required for aminoacylation and not amino acid editing. Biochemistry. 2007 May 1;46(17):5170-6. Epub 2007 Apr 4.@@Hsu JL, Rho SB, Vannella KM, Martinis SA: Functional divergence of a unique C-terminal domain of leucyl-tRNA synthetase to accommodate its splicing and aminoacylation roles. J Biol Chem. 2006 Aug 11;281(32):23075-82. Epub 2006 Jun 14.@@Lue SW, Kelley SO: A single residue in leucyl-tRNA synthetase affecting amino acid specificity and tRNA aminoacylation. Biochemistry. 2007 Apr 17;46(15):4466-72. Epub 2007 Mar 23." Investigational; Nutraceutical Leucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins" CC(C)C[C@H](N)C(O)=O "3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Clarithromycin Action Pathway; Paromomycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Glutaminolysis and Cancer; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway" disease; metabolic; drug_action 751 46507163 D00030 PA450197 Leucine CHEMBL291962 6308 DB00149 Leucine BE0000450 LCMT1 Q9UIC8 LCMT1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational; Nutraceutical Leucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins" CC(C)C[C@H](N)C(O)=O "3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Clarithromycin Action Pathway; Paromomycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Glutaminolysis and Cancer; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway" disease; metabolic; drug_action 751 46507163 D00030 PA450197 Leucine CHEMBL291962 6308 DB00149 Leucine BE0000769 LARS Q9P2J5 SYLC_HUMAN 17144674; 16956879; 17407263; 16774921; 16955236 "Ma JJ, Zhao MW, Wang ED: Split leucine-specific domain of leucyl-tRNA synthetase from the hyperthermophilic bacterium Aquifex aeolicus. Biochemistry. 2006 Dec 12;45(49):14809-16.@@Karkhanis VA, Boniecki MT, Poruri K, Martinis SA: A viable amino acid editing activity in the leucyl-tRNA synthetase CP1-splicing domain is not required in the yeast mitochondria. J Biol Chem. 2006 Nov 3;281(44):33217-25. Epub 2006 Sep 6.@@Vu MT, Martinis SA: A unique insert of leucyl-tRNA synthetase is required for aminoacylation and not amino acid editing. Biochemistry. 2007 May 1;46(17):5170-6. Epub 2007 Apr 4.@@Hsu JL, Rho SB, Vannella KM, Martinis SA: Functional divergence of a unique C-terminal domain of leucyl-tRNA synthetase to accommodate its splicing and aminoacylation roles. J Biol Chem. 2006 Aug 11;281(32):23075-82. Epub 2006 Jun 14.@@Dohm JC, Vingron M, Staub E: Horizontal gene transfer in aminoacyl-tRNA synthetases including leucine-specific subtypes. J Mol Evol. 2006 Oct;63(4):437-47. Epub 2006 Sep 4." Investigational; Nutraceutical Leucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins" CC(C)C[C@H](N)C(O)=O "3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Clarithromycin Action Pathway; Paromomycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Glutaminolysis and Cancer; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway" disease; metabolic; drug_action 751 46507163 D00030 PA450197 Leucine CHEMBL291962 6308 DB00149 Leucine BE0000721 BCAT2 O15382 BCAT2_HUMAN 17139284; 17016423; 12670965 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berger BJ, English S, Chan G, Knodel MH: Methionine regeneration and aminotransferases in Bacillus subtilis, Bacillus cereus, and Bacillus anthracis. J Bacteriol. 2003 Apr;185(8):2418-31." Investigational; Nutraceutical Leucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins" CC(C)C[C@H](N)C(O)=O "3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Clarithromycin Action Pathway; Paromomycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Glutaminolysis and Cancer; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway" disease; metabolic; drug_action 751 46507163 D00030 PA450197 Leucine CHEMBL291962 6308 DB00149 Leucine BE0000517 BCAT1 P54687 BCAT1_HUMAN 17554170; 17077963 "Chen CD, Huang TF, Lin CH, Guan HH, Hsieh YC, Lin YH, Huang YC, Liu MY, Chang WC, Chen CJ: Purification, crystallization and preliminary X-ray crystallographic analysis of branched-chain aminotransferase from Deinococcus radiodurans. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2007 Jun 1;63(Pt 6):492-4. Epub 2007 May 5.@@Saito M, Nishimura K, Wakabayashi S, Kurihara T, Nagata Y: Purification of branched-chain amino acid aminotransferase from Helicobacter pylori NCTC 11637. Amino Acids. 2007 Sep;33(3):445-9. Epub 2006 Nov 2." Investigational; Nutraceutical Leucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins" CC(C)C[C@H](N)C(O)=O "3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Clarithromycin Action Pathway; Paromomycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Glutaminolysis and Cancer; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway" disease; metabolic; drug_action 751 46507163 D00030 PA450197 Leucine CHEMBL291962 6308 DB00150 Tryptophan BE0000228 WARS P23381 SYWC_HUMAN inhibitor 17150540; 17428498; 17114500; 17661345; 16724112 "Tsuchiya W, Umehara T, Kuno A, Hasegawa T: Determination of tryptophan tRNA recognition sites for tryptophanyl-tRNA synthetase from hyperthermophilic archaeon, Aeropyrum pernix K1. Nucleic Acids Symp Ser (Oxf). 2004;(48):185-6.@@Retailleau P, Weinreb V, Hu M, Carter CW Jr: Crystal structure of tryptophanyl-tRNA synthetase complexed with adenosine-5' tetraphosphate: evidence for distributed use of catalytic binding energy in amino acid activation by class I aminoacyl-tRNA synthetases. J Mol Biol. 2007 May 25;369(1):108-28. Epub 2007 Mar 12.@@Zhu L, Ji F, Wang Y, Zhang Y, Liu Q, Zhang JZ, Matsushima K, Cao Q, Zhang Y: Synovial autoreactive T cells in rheumatoid arthritis resist IDO-mediated inhibition. J Immunol. 2006 Dec 1;177(11):8226-33.@@Yadav MC, Burudi EM, Alirezaei M, Flynn CC, Watry DD, Lanigan CM, Fox HS: IFN-gamma-induced IDO and WRS expression in microglia is differentially regulated by IL-4. Glia. 2007 Oct;55(13):1385-96.@@Yang XL, Otero FJ, Ewalt KL, Liu J, Swairjo MA, Kohrer C, RajBhandary UL, Skene RJ, McRee DE, Schimmel P: Two conformations of a crystalline human tRNA synthetase-tRNA complex: implications for protein synthesis. EMBO J. 2006 Jun 21;25(12):2919-29. Epub 2006 May 25." Approved; Nutraceutical; Withdrawn Indolyl carboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives "Miscellaneous Antidepressants; Supplements; Amino Acids; Proteinogenic Amino Acids; Psychotropic Drugs; Amino Acids, Cyclic; Central Nervous System Agents; Amino Acids, Essential; Central Nervous System Depressants; Psychoanaleptics; Nervous System; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents, Second-Generation; Dietary Supplements; Amino Acids, Peptides, and Proteins; Antidepressive Agents; Amino Acids, Aromatic" N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O Tryptophan Metabolism metabolic 10238 46508329 D00020 PA10323 DAP001316 Tryptophan CHEMBL54976 10898 DB00150 Tryptophan BE0002311 WARS2 Q9UGM6 SYWM_HUMAN inhibitor 17114825; 17428498; 16639024; 16724112; 16636268 "Paley EL, Denisova G, Sokolova O, Posternak N, Wang X, Brownell AL: Tryptamine induces tryptophanyl-tRNA synthetase-mediated neurodegeneration with neurofibrillary tangles in human cell and mouse models. Neuromolecular Med. 2007;9(1):55-82.@@Retailleau P, Weinreb V, Hu M, Carter CW Jr: Crystal structure of tryptophanyl-tRNA synthetase complexed with adenosine-5' tetraphosphate: evidence for distributed use of catalytic binding energy in amino acid activation by class I aminoacyl-tRNA synthetases. J Mol Biol. 2007 May 25;369(1):108-28. Epub 2007 Mar 12.@@Banin E, Dorrell MI, Aguilar E, Ritter MR, Aderman CM, Smith AC, Friedlander J, Friedlander M: T2-TrpRS inhibits preretinal neovascularization and enhances physiological vascular regrowth in OIR as assessed by a new method of quantification. Invest Ophthalmol Vis Sci. 2006 May;47(5):2125-34.@@Yang XL, Otero FJ, Ewalt KL, Liu J, Swairjo MA, Kohrer C, RajBhandary UL, Skene RJ, McRee DE, Schimmel P: Two conformations of a crystalline human tRNA synthetase-tRNA complex: implications for protein synthesis. EMBO J. 2006 Jun 21;25(12):2919-29. Epub 2006 May 25.@@Charriere F, Helgadottir S, Horn EK, Soll D, Schneider A: Dual targeting of a single tRNA(Trp) requires two different tryptophanyl-tRNA synthetases in Trypanosoma brucei. Proc Natl Acad Sci U S A. 2006 May 2;103(18):6847-52. Epub 2006 Apr 24." Approved; Nutraceutical; Withdrawn Indolyl carboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives "Miscellaneous Antidepressants; Supplements; Amino Acids; Proteinogenic Amino Acids; Psychotropic Drugs; Amino Acids, Cyclic; Central Nervous System Agents; Amino Acids, Essential; Central Nervous System Depressants; Psychoanaleptics; Nervous System; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents, Second-Generation; Dietary Supplements; Amino Acids, Peptides, and Proteins; Antidepressive Agents; Amino Acids, Aromatic" N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O Tryptophan Metabolism metabolic 10238 46508329 D00020 PA10323 DAP001316 Tryptophan CHEMBL54976 10898 DB00151 Cysteine BE0000606 GCLM P48507 GSH0_HUMAN 15695431 "Ashida H, Sawa Y, Shibata H: Cloning, biochemical and phylogenetic characterizations of gamma-glutamylcysteine synthetase from Anabaena sp. PCC 7120. Plant Cell Physiol. 2005 Apr;46(4):557-62. Epub 2005 Feb 2." Approved; Nutraceutical Cysteine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Caloric Agents; Supplements; Amino Acids; Proteinogenic Amino Acids; Sulfhydryl Compounds; Nutritional Support; Amino Acids, Sulfur; Sulfur Compounds; Cysteine; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](CS)C(O)=O Amiloride Action Pathway; gamma-Glutamyltranspeptidase Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Hydroflumethiazide Action Pathway; Bumetanide Action Pathway; Polythiazide Action Pathway; Ethacrynic Acid Action Pathway; Cyclothiazide Action Pathway; Trichlormethiazide Action Pathway; gamma-Glutamyltransferase Deficiency; Methionine Adenosyltransferase Deficiency; Glutamate Metabolism; Chlorothiazide Action Pathway; Pantothenate and CoA Biosynthesis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Indapamide Action Pathway; Hyperinsulinism-Hyperammonemia Syndrome; Iminoglycinuria; Taurine and Hypotaurine Metabolism; Glycine and Serine Metabolism; Chlorthalidone Action Pathway; Bendroflumethiazide Action Pathway; Methionine Metabolism; Eplerenone Action Pathway; Cystathionine beta-Synthase Deficiency; Glucose Transporter Defect (SGLT2); Spironolactone Action Pathway; Sarcosinemia; Quinethazone Action Pathway disease; metabolic; drug_action 5416 46506553 D00026 PA449173 Cysteine CHEMBL863 3024 DB00151 Cysteine BE0000166 GCLC P48506 GSH1_HUMAN 15695431; 17615559 "Ashida H, Sawa Y, Shibata H: Cloning, biochemical and phylogenetic characterizations of gamma-glutamylcysteine synthetase from Anabaena sp. PCC 7120. Plant Cell Physiol. 2005 Apr;46(4):557-62. Epub 2005 Feb 2.@@Srivastava S, Chan C: Application of metabolic flux analysis to identify the mechanisms of free fatty acid toxicity to human hepatoma cell line. Biotechnol Bioeng. 2008 Feb 1;99(2):399-410." Approved; Nutraceutical Cysteine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Caloric Agents; Supplements; Amino Acids; Proteinogenic Amino Acids; Sulfhydryl Compounds; Nutritional Support; Amino Acids, Sulfur; Sulfur Compounds; Cysteine; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](CS)C(O)=O Amiloride Action Pathway; gamma-Glutamyltranspeptidase Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Hydroflumethiazide Action Pathway; Bumetanide Action Pathway; Polythiazide Action Pathway; Ethacrynic Acid Action Pathway; Cyclothiazide Action Pathway; Trichlormethiazide Action Pathway; gamma-Glutamyltransferase Deficiency; Methionine Adenosyltransferase Deficiency; Glutamate Metabolism; Chlorothiazide Action Pathway; Pantothenate and CoA Biosynthesis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Indapamide Action Pathway; Hyperinsulinism-Hyperammonemia Syndrome; Iminoglycinuria; Taurine and Hypotaurine Metabolism; Glycine and Serine Metabolism; Chlorthalidone Action Pathway; Bendroflumethiazide Action Pathway; Methionine Metabolism; Eplerenone Action Pathway; Cystathionine beta-Synthase Deficiency; Glucose Transporter Defect (SGLT2); Spironolactone Action Pathway; Sarcosinemia; Quinethazone Action Pathway disease; metabolic; drug_action 5416 46506553 D00026 PA449173 Cysteine CHEMBL863 3024 DB00151 Cysteine BE0000383 GOT2 P00505 AATM_HUMAN substrate 7612304; 12137566; 30151069 "Gaskin PJ, Adcock HJ, Buckberry LD, Teesdale-Spittle PH, Shaw PN: The C-S lysis of L-cysteine conjugates by aspartate and alanine aminotransferase enzymes. Hum Exp Toxicol. 1995 May;14(5):422-7. doi: 10.1177/096032719501400506.@@Cooper AJ, Bruschi SA, Iriarte A, Martinez-Carrion M: Mitochondrial aspartate aminotransferase catalyses cysteine S-conjugate beta-lyase reactions. Biochem J. 2002 Nov 15;368(Pt 1):253-61. doi: 10.1042/BJ20020531.@@Wen YD, Wang H, Zhu YZ: The Drug Developments of Hydrogen Sulfide on Cardiovascular Disease. Oxid Med Cell Longev. 2018 Jul 29;2018:4010395. doi: 10.1155/2018/4010395. eCollection 2018." Approved; Nutraceutical Cysteine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Caloric Agents; Supplements; Amino Acids; Proteinogenic Amino Acids; Sulfhydryl Compounds; Nutritional Support; Amino Acids, Sulfur; Sulfur Compounds; Cysteine; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](CS)C(O)=O Amiloride Action Pathway; gamma-Glutamyltranspeptidase Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Hydroflumethiazide Action Pathway; Bumetanide Action Pathway; Polythiazide Action Pathway; Ethacrynic Acid Action Pathway; Cyclothiazide Action Pathway; Trichlormethiazide Action Pathway; gamma-Glutamyltransferase Deficiency; Methionine Adenosyltransferase Deficiency; Glutamate Metabolism; Chlorothiazide Action Pathway; Pantothenate and CoA Biosynthesis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Indapamide Action Pathway; Hyperinsulinism-Hyperammonemia Syndrome; Iminoglycinuria; Taurine and Hypotaurine Metabolism; Glycine and Serine Metabolism; Chlorthalidone Action Pathway; Bendroflumethiazide Action Pathway; Methionine Metabolism; Eplerenone Action Pathway; Cystathionine beta-Synthase Deficiency; Glucose Transporter Defect (SGLT2); Spironolactone Action Pathway; Sarcosinemia; Quinethazone Action Pathway disease; metabolic; drug_action 5416 46506553 D00026 PA449173 Cysteine CHEMBL863 3024 DB00151 Cysteine BE0000791 CTH P32929 CGL_HUMAN 16108046; 16428267; 17634391 "Fiorucci S, Antonelli E, Mencarelli A, Orlandi S, Renga B, Rizzo G, Distrutti E, Shah V, Morelli A: The third gas: H2S regulates perfusion pressure in both the isolated and perfused normal rat liver and in cirrhosis. Hepatology. 2005 Sep;42(3):539-48.@@Zhang H, Zhi L, Moore PK, Bhatia M: Role of hydrogen sulfide in cecal ligation and puncture-induced sepsis in the mouse. Am J Physiol Lung Cell Mol Physiol. 2006 Jun;290(6):L1193-201. Epub 2006 Jan 20.@@Wallace JL, Dicay M, McKnight W, Martin GR: Hydrogen sulfide enhances ulcer healing in rats. FASEB J. 2007 Dec;21(14):4070-6. Epub 2007 Jul 18." Approved; Nutraceutical Cysteine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Caloric Agents; Supplements; Amino Acids; Proteinogenic Amino Acids; Sulfhydryl Compounds; Nutritional Support; Amino Acids, Sulfur; Sulfur Compounds; Cysteine; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](CS)C(O)=O Amiloride Action Pathway; gamma-Glutamyltranspeptidase Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Hydroflumethiazide Action Pathway; Bumetanide Action Pathway; Polythiazide Action Pathway; Ethacrynic Acid Action Pathway; Cyclothiazide Action Pathway; Trichlormethiazide Action Pathway; gamma-Glutamyltransferase Deficiency; Methionine Adenosyltransferase Deficiency; Glutamate Metabolism; Chlorothiazide Action Pathway; Pantothenate and CoA Biosynthesis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Indapamide Action Pathway; Hyperinsulinism-Hyperammonemia Syndrome; Iminoglycinuria; Taurine and Hypotaurine Metabolism; Glycine and Serine Metabolism; Chlorthalidone Action Pathway; Bendroflumethiazide Action Pathway; Methionine Metabolism; Eplerenone Action Pathway; Cystathionine beta-Synthase Deficiency; Glucose Transporter Defect (SGLT2); Spironolactone Action Pathway; Sarcosinemia; Quinethazone Action Pathway disease; metabolic; drug_action 5416 46506553 D00026 PA449173 Cysteine CHEMBL863 3024 DB00151 Cysteine BE0000185 GSS P48637 GSHB_HUMAN 16940754 "Tanaka T, Halicka HD, Huang X, Traganos F, Darzynkiewicz Z: Constitutive histone H2AX phosphorylation and ATM activation, the reporters of DNA damage by endogenous oxidants. Cell Cycle. 2006 Sep;5(17):1940-5. Epub 2006 Sep 1." Approved; Nutraceutical Cysteine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Caloric Agents; Supplements; Amino Acids; Proteinogenic Amino Acids; Sulfhydryl Compounds; Nutritional Support; Amino Acids, Sulfur; Sulfur Compounds; Cysteine; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](CS)C(O)=O Amiloride Action Pathway; gamma-Glutamyltranspeptidase Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Hydroflumethiazide Action Pathway; Bumetanide Action Pathway; Polythiazide Action Pathway; Ethacrynic Acid Action Pathway; Cyclothiazide Action Pathway; Trichlormethiazide Action Pathway; gamma-Glutamyltransferase Deficiency; Methionine Adenosyltransferase Deficiency; Glutamate Metabolism; Chlorothiazide Action Pathway; Pantothenate and CoA Biosynthesis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Indapamide Action Pathway; Hyperinsulinism-Hyperammonemia Syndrome; Iminoglycinuria; Taurine and Hypotaurine Metabolism; Glycine and Serine Metabolism; Chlorthalidone Action Pathway; Bendroflumethiazide Action Pathway; Methionine Metabolism; Eplerenone Action Pathway; Cystathionine beta-Synthase Deficiency; Glucose Transporter Defect (SGLT2); Spironolactone Action Pathway; Sarcosinemia; Quinethazone Action Pathway disease; metabolic; drug_action 5416 46506553 D00026 PA449173 Cysteine CHEMBL863 3024 DB00151 Cysteine BE0002312 CARS2 Q9HA77 SYCM_HUMAN substrate 29079736; 30824121 "Akaike T, Ida T, Wei FY, Nishida M, Kumagai Y, Alam MM, Ihara H, Sawa T, Matsunaga T, Kasamatsu S, Nishimura A, Morita M, Tomizawa K, Nishimura A, Watanabe S, Inaba K, Shima H, Tanuma N, Jung M, Fujii S, Watanabe Y, Ohmuraya M, Nagy P, Feelisch M, Fukuto JM, Motohashi H: Cysteinyl-tRNA synthetase governs cysteine polysulfidation and mitochondrial bioenergetics. Nat Commun. 2017 Oct 27;8(1):1177. doi: 10.1038/s41467-017-01311-y.@@Kuo ME, Theil AF, Kievit A, Malicdan MC, Introne WJ, Christian T, Verheijen FW, Smith DEC, Mendes MI, Hussaarts-Odijk L, van der Meijden E, van Slegtenhorst M, Wilke M, Vermeulen W, Raams A, Groden C, Shimada S, Meyer-Schuman R, Hou YM, Gahl WA, Antonellis A, Salomons GS, Mancini GMS: Cysteinyl-tRNA Synthetase Mutations Cause a Multi-System, Recessive Disease That Includes Microcephaly, Developmental Delay, and Brittle Hair and Nails. Am J Hum Genet. 2019 Mar 7;104(3):520-529. doi: 10.1016/j.ajhg.2019.01.006. Epub 2019 Feb 26." Approved; Nutraceutical Cysteine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Caloric Agents; Supplements; Amino Acids; Proteinogenic Amino Acids; Sulfhydryl Compounds; Nutritional Support; Amino Acids, Sulfur; Sulfur Compounds; Cysteine; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](CS)C(O)=O Amiloride Action Pathway; gamma-Glutamyltranspeptidase Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Hydroflumethiazide Action Pathway; Bumetanide Action Pathway; Polythiazide Action Pathway; Ethacrynic Acid Action Pathway; Cyclothiazide Action Pathway; Trichlormethiazide Action Pathway; gamma-Glutamyltransferase Deficiency; Methionine Adenosyltransferase Deficiency; Glutamate Metabolism; Chlorothiazide Action Pathway; Pantothenate and CoA Biosynthesis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Indapamide Action Pathway; Hyperinsulinism-Hyperammonemia Syndrome; Iminoglycinuria; Taurine and Hypotaurine Metabolism; Glycine and Serine Metabolism; Chlorthalidone Action Pathway; Bendroflumethiazide Action Pathway; Methionine Metabolism; Eplerenone Action Pathway; Cystathionine beta-Synthase Deficiency; Glucose Transporter Defect (SGLT2); Spironolactone Action Pathway; Sarcosinemia; Quinethazone Action Pathway disease; metabolic; drug_action 5416 46506553 D00026 PA449173 Cysteine CHEMBL863 3024 DB00151 Cysteine BE0000079 CSAD Q9Y600 CSAD_HUMAN 17139284; 17016423; 6953423; 236774; 7131091 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chan-Palay V, Lin CT, Palay S, Yamamoto M, Wu JY: Taurine in the mammalian cerebellum: demonstration by autoradiography with [3H]taurine and immunocytochemistry with antibodies against the taurine-synthesizing enzyme, cysteine-sulfinic acid decarboxylase. Proc Natl Acad Sci U S A. 1982 Apr;79(8):2695-9.@@Guion-Rain M-C, Portemer C, Chatagner F: Rat liver cysteine sulfinate decarboxylase: purification, new appraisal of the molecular weight and determination of catalytic properties. Biochim Biophys Acta. 1975 Mar 28;384(1):265-76.@@Daniels KM, Stipanuk MH: The effect of dietary cysteine level on cysteine metabolism in rats. J Nutr. 1982 Nov;112(11):2130-41." Approved; Nutraceutical Cysteine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Caloric Agents; Supplements; Amino Acids; Proteinogenic Amino Acids; Sulfhydryl Compounds; Nutritional Support; Amino Acids, Sulfur; Sulfur Compounds; Cysteine; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](CS)C(O)=O Amiloride Action Pathway; gamma-Glutamyltranspeptidase Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Hydroflumethiazide Action Pathway; Bumetanide Action Pathway; Polythiazide Action Pathway; Ethacrynic Acid Action Pathway; Cyclothiazide Action Pathway; Trichlormethiazide Action Pathway; gamma-Glutamyltransferase Deficiency; Methionine Adenosyltransferase Deficiency; Glutamate Metabolism; Chlorothiazide Action Pathway; Pantothenate and CoA Biosynthesis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Indapamide Action Pathway; Hyperinsulinism-Hyperammonemia Syndrome; Iminoglycinuria; Taurine and Hypotaurine Metabolism; Glycine and Serine Metabolism; Chlorthalidone Action Pathway; Bendroflumethiazide Action Pathway; Methionine Metabolism; Eplerenone Action Pathway; Cystathionine beta-Synthase Deficiency; Glucose Transporter Defect (SGLT2); Spironolactone Action Pathway; Sarcosinemia; Quinethazone Action Pathway disease; metabolic; drug_action 5416 46506553 D00026 PA449173 Cysteine CHEMBL863 3024 DB00151 Cysteine BE0000151 NFS1 Q9Y697 NFS1_HUMAN 17469805; 15985427; 15828873; 16877383; 16603772 "You D, Wang L, Yao F, Zhou X, Deng Z: A novel DNA modification by sulfur: DndA is a NifS-like cysteine desulfurase capable of assembling DndC as an iron-sulfur cluster protein in Streptomyces lividans. Biochemistry. 2007 May 22;46(20):6126-33. Epub 2007 May 1.@@Ding H, Harrison K, Lu J: Thioredoxin reductase system mediates iron binding in IscA and iron delivery for the iron-sulfur cluster assembly in IscU. J Biol Chem. 2005 Aug 26;280(34):30432-7. Epub 2005 Jun 28.@@Ding B, Smith ES, Ding H: Mobilization of the iron centre in IscA for the iron-sulphur cluster assembly in IscU. Biochem J. 2005 Aug 1;389(Pt 3):797-802.@@Yang J, Bitoun JP, Ding H: Interplay of IscA and IscU in biogenesis of iron-sulfur clusters. J Biol Chem. 2006 Sep 22;281(38):27956-63. Epub 2006 Jul 27.@@Layer G, Ollagnier-de Choudens S, Sanakis Y, Fontecave M: Iron-sulfur cluster biosynthesis: characterization of Escherichia coli CYaY as an iron donor for the assembly of [2Fe-2S] clusters in the scaffold IscU. J Biol Chem. 2006 Jun 16;281(24):16256-63. Epub 2006 Apr 9." Approved; Nutraceutical Cysteine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Caloric Agents; Supplements; Amino Acids; Proteinogenic Amino Acids; Sulfhydryl Compounds; Nutritional Support; Amino Acids, Sulfur; Sulfur Compounds; Cysteine; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](CS)C(O)=O Amiloride Action Pathway; gamma-Glutamyltranspeptidase Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Hydroflumethiazide Action Pathway; Bumetanide Action Pathway; Polythiazide Action Pathway; Ethacrynic Acid Action Pathway; Cyclothiazide Action Pathway; Trichlormethiazide Action Pathway; gamma-Glutamyltransferase Deficiency; Methionine Adenosyltransferase Deficiency; Glutamate Metabolism; Chlorothiazide Action Pathway; Pantothenate and CoA Biosynthesis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Indapamide Action Pathway; Hyperinsulinism-Hyperammonemia Syndrome; Iminoglycinuria; Taurine and Hypotaurine Metabolism; Glycine and Serine Metabolism; Chlorthalidone Action Pathway; Bendroflumethiazide Action Pathway; Methionine Metabolism; Eplerenone Action Pathway; Cystathionine beta-Synthase Deficiency; Glucose Transporter Defect (SGLT2); Spironolactone Action Pathway; Sarcosinemia; Quinethazone Action Pathway disease; metabolic; drug_action 5416 46506553 D00026 PA449173 Cysteine CHEMBL863 3024 DB00152 Thiamine BE0000157 TPK1 Q9H3S4 TPK1_HUMAN substrate 11642045; 15150256; 15664409; 15514058 "Pylypchuk SIu, Parkhomenko IuM, Protasova ZS, Vovk AI, Donchenko HV: [Interaction of rat brain thiamine kinase with thiamine and its derivatives]. Ukr Biokhim Zh (1999). 2001 Mar-Apr;73(2):51-6.@@Melnick J, Lis E, Park JH, Kinsland C, Mori H, Baba T, Perkins J, Schyns G, Vassieva O, Osterman A, Begley TP: Identification of the two missing bacterial genes involved in thiamine salvage: thiamine pyrophosphokinase and thiamine kinase. J Bacteriol. 2004 Jun;186(11):3660-2.@@Bellyei S, Szigeti A, Boronkai A, Szabo Z, Bene J, Janaky T, Barna L, Sipos K, Minik O, Kravjak A, Ohmacht R, Melegh B, Zavodszky P, Than GN, Sumegi B, Bohn H, Than NG: Cloning, sequencing, structural and molecular biological characterization of placental protein 20 (PP20)/human thiamin pyrophosphokinase (hTPK). Placenta. 2005 Jan;26(1):34-46.@@de Jong L, Meng Y, Dent J, Hekimi S: Thiamine pyrophosphate biosynthesis and transport in the nematode Caenorhabditis elegans. Genetics. 2004 Oct;168(2):845-54." Approved; Investigational; Nutraceutical; Vet_approved Thiamines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "OCT1 substrates; Physiological Phenomena; Vitamins; Thiazoles; OCT2 Inhibitors; Vitamin B Complex; Diet, Food, and Nutrition; Growth Substances; Pyrimidines; Food; Sulfur Compounds; Alimentary Tract and Metabolism; Micronutrients" CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N Thiamine Metabolism metabolic 5038 46507321 D08580 PA451652 DAP000870 Thiamine CHEMBL1547 10454 DB00153 Ergocalciferol BE0000779 VDR P11473 VDR_HUMAN agonist 17218095; 16949927; 17519354; 20525913; 20091647; 18290715; 17440943; 17207992; 11752352 "Carvallo L, Henriquez B, Olate J, van Wijnen AJ, Lian JB, Stein GS, Onate S, Stein JL, Montecino M: The 1alpha,25-dihydroxy Vitamin D3 receptor preferentially recruits the coactivator SRC-1 during up-regulation of the osteocalcin gene. J Steroid Biochem Mol Biol. 2007 Mar;103(3-5):420-4. Epub 2007 Jan 10.@@Liu W, Tretiakova M, Kong J, Turkyilmaz M, Li YC, Krausz T: Expression of vitamin D3 receptor in kidney tumors. Hum Pathol. 2006 Oct;37(10):1268-78. Epub 2006 Jul 27.@@Ewing AK, Attner M, Chakravarti D: Novel regulatory role for human Acf1 in transcriptional repression of vitamin D3 receptor-regulated genes. Mol Endocrinol. 2007 Aug;21(8):1791-806. Epub 2007 May 22.@@Gallagher JC, Sai AJ: Vitamin D insufficiency, deficiency, and bone health. J Clin Endocrinol Metab. 2010 Jun;95(6):2630-3. doi: 10.1210/jc.2010-0918.@@Straube S, Derry S, Moore RA, McQuay HJ: Vitamin D for the treatment of chronic painful conditions in adults. Cochrane Database Syst Rev. 2010 Jan 20;(1):CD007771. doi: 10.1002/14651858.CD007771.pub2.@@Jurutka PW, Bartik L, Whitfield GK, Mathern DR, Barthel TK, Gurevich M, Hsieh JC, Kaczmarska M, Haussler CA, Haussler MR: Vitamin D receptor: key roles in bone mineral pathophysiology, molecular mechanism of action, and novel nutritional ligands. J Bone Miner Res. 2007 Dec;22 Suppl 2:V2-10. doi: 10.1359/jbmr.07s216.@@Mikhak B, Hunter DJ, Spiegelman D, Platz EA, Hollis BW, Giovannucci E: Vitamin D receptor (VDR) gene polymorphisms and haplotypes, interactions with plasma 25-hydroxyvitamin D and 1,25-dihydroxyvitamin D, and prostate cancer risk. Prostate. 2007 Jun 15;67(9):911-23.@@Marks HD, Fleet JC, Peleg S: Transgenic expression of the human Vitamin D receptor (hVDR) in the duodenum of VDR-null mice attenuates the age-dependent decline in calcium absorption. J Steroid Biochem Mol Biol. 2007 Mar;103(3-5):513-6. Epub 2007 Jan 5.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Nutraceutical Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives "Fused-Ring Compounds; Physiological Phenomena; Secosteroids; Vitamins; Vitamins (Fat Soluble); Diet, Food, and Nutrition; Growth Substances; Vitamin D and Analogues; Calcium-Regulating Hormones and Agents; Bone Density Conservation Agents; Food; Lipids; Alimentary Tract and Metabolism; Micronutrients" CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C 703 46505053 D00187 PA449484 DAP000291 Ergocalciferol CHEMBL1536 4018 DB00153 Ergocalciferol BE0004902 CACNG1 Q9P0X4 CAC1I_HUMAN inducer Approved; Nutraceutical Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives "Fused-Ring Compounds; Physiological Phenomena; Secosteroids; Vitamins; Vitamins (Fat Soluble); Diet, Food, and Nutrition; Growth Substances; Vitamin D and Analogues; Calcium-Regulating Hormones and Agents; Bone Density Conservation Agents; Food; Lipids; Alimentary Tract and Metabolism; Micronutrients" CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C 703 46505053 D00187 PA449484 DAP000291 Ergocalciferol CHEMBL1536 4018 DB00155 Citrulline BE0000671 ASS1 P00966 ASSY_HUMAN 10353334; 10407171; 10944418; 11067741; 11072090 "Braissant O, Honegger P, Loup M, Iwase K, Takiguchi M, Bachmann C: Hyperammonemia: regulation of argininosuccinate synthetase and argininosuccinate lyase genes in aggregating cell cultures of fetal rat brain. Neurosci Lett. 1999 May 7;266(2):89-92.@@Braissant O, Gotoh T, Loup M, Mori M, Bachmann C: L-arginine uptake, the citrulline-NO cycle and arginase II in the rat brain: an in situ hybridization study. Brain Res Mol Brain Res. 1999 Jul 5;70(2):231-41.@@Keilhoff G, Reiser M, Stanarius A, Aoki E, Wolf G: Citrulline immunohistochemistry for demonstration of NOS activity in vivo and in vitro. Nitric Oxide. 2000 Aug;4(4):343-53.@@Zhang B, Cao GL, Domachowske J, Jackson MJ, Porasuphatana S, Rosen GM: Stable expression of varied levels of inducible nitric oxide synthase in primary cultures of endothelial cells. Anal Biochem. 2000 Nov 15;286(2):198-205.@@Zhang WY, Gotoh T, Oyadomari S, Mori M: Coinduction of inducible nitric oxide synthase and arginine recycling enzymes in cytokine-stimulated PC12 cells and high output production of nitric oxide. Brain Res Mol Brain Res. 2000 Nov 10;83(1-2):1-8." Investigational; Nutraceutical L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Dicarboxylic Acids; OAT3/SLC22A8 Substrates; Hydroxy Acids; Amino Acids, Peptides, and Proteins; OAT1/SLC22A6 Substrates; Acids, Acyclic; Proteins; Dietary Supplements; Amino Acids, Diamino" N[C@@H](CCCNC(N)=O)C(O)=O "Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle" disease; metabolic; signaling 46506583 D07706 PA164747225 Citrulline CHEMBL444814 2567 DB00155 Citrulline BE0000766 DDAH1 O94760 DDAH1_HUMAN 14766200; 10950934; 12615801 "Mishima T, Hamada T, Ui-Tei K, Takahashi F, Miyata Y, Imaki J, Suzuki H, Yamashita K: Expression of DDAH1 in chick and rat embryos. Brain Res Dev Brain Res. 2004 Feb 20;148(2):223-32.@@Tran CT, Fox MF, Vallance P, Leiper JM: Chromosomal localization, gene structure, and expression pattern of DDAH1: comparison with DDAH2 and implications for evolutionary origins. Genomics. 2000 Aug 15;68(1):101-5.@@Arrigoni FI, Vallance P, Haworth SG, Leiper JM: Metabolism of asymmetric dimethylarginines is regulated in the lung developmentally and with pulmonary hypertension induced by hypobaric hypoxia. Circulation. 2003 Mar 4;107(8):1195-201." Investigational; Nutraceutical L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Dicarboxylic Acids; OAT3/SLC22A8 Substrates; Hydroxy Acids; Amino Acids, Peptides, and Proteins; OAT1/SLC22A6 Substrates; Acids, Acyclic; Proteins; Dietary Supplements; Amino Acids, Diamino" N[C@@H](CCCNC(N)=O)C(O)=O "Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle" disease; metabolic; signaling 46506583 D07706 PA164747225 Citrulline CHEMBL444814 2567 DB00155 Citrulline BE0000067 NOS1 P29475 NOS1_HUMAN 10502685; 10681601; 10799481; 10945985; 10962148 "Kominami S, Yamazaki T, Koga T, Hori H: EPR studies on the photo-induced intermediates of ferric NO complexes of rat neuronal nitric oxide synthase trapped at low temperature. J Biochem. 1999 Oct;126(4):756-61.@@Giraldi-Guimaraes A, Tenorio F, Bruning G, Mayer B, Mendez-Otero R, Cavalcante LA: Nitric oxide synthase expression in the opossum superior colliculus: a histochemical, immunohistochemical and biochemical study. Brain Behav Evol. 1999 Dec;54(6):303-13.@@Perry JM, Zhao Y, Marletta MA: Cu2+ and Zn2+ inhibit nitric-oxide synthase through an interaction with the reductase domain. J Biol Chem. 2000 May 12;275(19):14070-6.@@Adak S, Wang Q, Stuehr DJ: Arginine conversion to nitroxide by tetrahydrobiopterin-free neuronal nitric-oxide synthase. Implications for mechanism. J Biol Chem. 2000 Oct 27;275(43):33554-61.@@Yu W, Juang S, Lee J, Liu T, Cheng J: Decrease of neuronal nitric oxide synthase in the cerebellum of aged rats. Neurosci Lett. 2000 Sep 8;291(1):37-40." Investigational; Nutraceutical L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Dicarboxylic Acids; OAT3/SLC22A8 Substrates; Hydroxy Acids; Amino Acids, Peptides, and Proteins; OAT1/SLC22A6 Substrates; Acids, Acyclic; Proteins; Dietary Supplements; Amino Acids, Diamino" N[C@@H](CCCNC(N)=O)C(O)=O "Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle" disease; metabolic; signaling 46506583 D07706 PA164747225 Citrulline CHEMBL444814 2567 DB00155 Citrulline BE0000005 NOS2 P35228 NOS2_HUMAN 10906995; 10944418; 11742852; 10906994; 12745988 "Cunningham JM, Rayne RC: Radiochemical measurement of NOS activity by conversion of [14C]L-arginine to citrulline using HPLC separation. Methods Mol Biol. 1998;100:75-81.@@Keilhoff G, Reiser M, Stanarius A, Aoki E, Wolf G: Citrulline immunohistochemistry for demonstration of NOS activity in vivo and in vitro. Nitric Oxide. 2000 Aug;4(4):343-53.@@Conrad KP, Powers RW, Davis AK, Novak J: Citrulline is not the major product using the standard ""NOS activity"" assay on renal cortical homogenates. Am J Physiol Regul Integr Comp Physiol. 2002 Jan;282(1):R303-10.@@Knowles RG, Salter M: Measurement of NOS activity by conversion of radiolabeled arginine to citrulline using ion-exchange separation. Methods Mol Biol. 1998;100:67-73.@@Yi GB, McClendon D, Desaiah D, Goddard J, Lister A, Moffitt J, Meer RK, deShazo R, Lee KS, Rockhold RW: Fire ant venom alkaloid, isosolenopsin A, a potent and selective inhibitor of neuronal nitric oxide synthase. Int J Toxicol. 2003 Mar-Apr;22(2):81-6." Investigational; Nutraceutical L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Dicarboxylic Acids; OAT3/SLC22A8 Substrates; Hydroxy Acids; Amino Acids, Peptides, and Proteins; OAT1/SLC22A6 Substrates; Acids, Acyclic; Proteins; Dietary Supplements; Amino Acids, Diamino" N[C@@H](CCCNC(N)=O)C(O)=O "Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle" disease; metabolic; signaling 46506583 D07706 PA164747225 Citrulline CHEMBL444814 2567 DB00156 Threonine BE0000234 TARS P26639 SYTC_HUMAN 12875846; 15507440; 9493271 "Torres-Larios A, Sankaranarayanan R, Rees B, Dock-Bregeon AC, Moras D: Conformational movements and cooperativity upon amino acid, ATP and tRNA binding in threonyl-tRNA synthetase. J Mol Biol. 2003 Aug 1;331(1):201-11.@@Ruan B, Bovee ML, Sacher M, Stathopoulos C, Poralla K, Francklyn CS, Soll D: A unique hydrophobic cluster near the active site contributes to differences in borrelidin inhibition among threonyl-tRNA synthetases. J Biol Chem. 2005 Jan 7;280(1):571-7. Epub 2004 Oct 26.@@Cusack S, Yaremchuk A, Krikliviy I, Tukalo M: tRNA(Pro) anticodon recognition by Thermus thermophilus prolyl-tRNA synthetase. Structure. 1998 Jan 15;6(1):101-8." Approved; Nutraceutical L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Threonine, antagonists & inhibitors; Amino Acids, Essential; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" C[C@@H](O)[C@H](N)C(O)=O Clomocycline Action Pathway; Rolitetracycline Action Pathway; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Threonine and 2-Oxobutanoate Degradation; Lincomycin Action Pathway; Tobramycin Action Pathway; Azithromycin Action Pathway; Clindamycin Action Pathway; Methacycline Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; Troleandomycin Action Pathway; Amikacin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Neomycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway metabolic; drug_action 10243 46506798 D00041 PA451673 Threonine CHEMBL291747 10524 DB00156 Threonine BE0002317 TARS2 Q9BW92 SYTM_HUMAN 17644600 "Caillet J, Graffe M, Eyermann F, Romby P, Springer M: Mutations in residues involved in zinc binding in the catalytic site of Escherichia coli threonyl-tRNA synthetase confer a dominant lethal phenotype. J Bacteriol. 2007 Oct;189(19):6839-48. Epub 2007 Jul 20." Approved; Nutraceutical L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Threonine, antagonists & inhibitors; Amino Acids, Essential; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" C[C@@H](O)[C@H](N)C(O)=O Clomocycline Action Pathway; Rolitetracycline Action Pathway; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Threonine and 2-Oxobutanoate Degradation; Lincomycin Action Pathway; Tobramycin Action Pathway; Azithromycin Action Pathway; Clindamycin Action Pathway; Methacycline Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; Troleandomycin Action Pathway; Amikacin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Neomycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway metabolic; drug_action 10243 46506798 D00041 PA451673 Threonine CHEMBL291747 10524 DB00157 NADH BE0000360 ADH4 P08319 ADH4_HUMAN 17139284; 17016423; 1938903; 11306066; 3593480 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Thielen J, Ciriacy M: Biochemical basis of mitochondrial acetaldehyde dismutation in Saccharomyces cerevisiae. J Bacteriol. 1991 Nov;173(21):7012-7.@@Plapp BV, Mitchell JL, Berst KB: Mouse alcohol dehydrogenase 4: kinetic mechanism, substrate specificity and simulation of effects of ethanol on retinoid metabolism. Chem Biol Interact. 2001 Jan 30;130-132(1-3):445-56.@@Widenius TV: Ethanol-induced inhibition of testosterone biosynthesis in vitro: lack of acetaldehyde effect. Alcohol Alcohol. 1987;22(1):17-22." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000465 ADH1C P00326 ADH1G_HUMAN 17139284; 17016423; 12604203 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Plapp BV, Berst KB: Specificity of human alcohol dehydrogenase 1C*2 (gamma2gamma2) for steroids and simulation of the uncompetitive inhibition of ethanol metabolism. Chem Biol Interact. 2003 Feb 1;143-144:183-93." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000522 ADH7 P40394 ADH7_HUMAN 17139284; 17016423; 17608724; 8490052; 11410692 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Dalfo D, Marques N, Albalat R: Analysis of the NADH-dependent retinaldehyde reductase activity of amphioxus retinol dehydrogenase enzymes enhances our understanding of the evolution of the retinol dehydrogenase family. FEBS J. 2007 Jul;274(14):3739-52. Epub 2007 Jul 2.@@Suzuki Y, Ishiguro S, Tamai M: Identification and immunohistochemistry of retinol dehydrogenase from bovine retinal pigment epithelium. Biochim Biophys Acta. 1993 May 13;1163(2):201-8.@@Kim DS, Lee CB, Park YS, Ahn YH, Kim TW, Kee CS, Kang JS, Om AS: Effect of thyroid hormone on the alcohol dehydrogenase activities in rat tissues. J Korean Med Sci. 2001 Jun;16(3):313-6." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000297 LDHAL6A Q6ZMR3 LDH6A_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000780 MDH2 P40926 MDHM_HUMAN 17619232; 17203264; 16898590; 17487443; 17603759 "Baumchen C, Roth AH, Biedendieck R, Malten M, Follmann M, Sahm H, Bringer-Meyer S, Jahn D: D-mannitol production by resting state whole cell biotrans-formation of D-fructose by heterologous mannitol and formate dehydrogenase gene expression in Bacillus megaterium. Biotechnol J. 2007 Nov;2(11):1408-16.@@Gallarta F, Sainz FJ, Saenz C: Fluorescent sensing layer for the determination of L-malic acid in wine. Anal Bioanal Chem. 2007 Mar;387(6):2297-305. Epub 2007 Jan 4.@@Markova EV, Zotova NV, Savchenko AA, Titova NM, Slepov EV, Cherdantsev DV, Konovalenko AN: [Lymphocyte metabolism in patients with acute pancreatitis with different genotypes of GSTM1 and GSTT1 genes]. Biomed Khim. 2006 May-Jun;52(3):317-26.@@Yennaco LJ, Hu Y, Holden JF: Characterization of malate dehydrogenase from the hyperthermophilic archaeon Pyrobaculum islandicum. Extremophiles. 2007 Sep;11(5):741-6. Epub 2007 May 9.@@Rzem R, Vincent MF, Van Schaftingen E, Veiga-da-Cunha M: L-2-hydroxyglutaric aciduria, a defect of metabolite repair. J Inherit Metab Dis. 2007 Oct;30(5):681-9. Epub 2007 Jun 21." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000148 ME2 P23368 MAOM_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000408 HSD17B4 P51659 DHB4_HUMAN 17139284; 17016423; 12517343 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Haapalainen AM, Koski MK, Qin YM, Hiltunen JK, Glumoff T: Binary structure of the two-domain (3R)-hydroxyacyl-CoA dehydrogenase from rat peroxisomal multifunctional enzyme type 2 at 2.38 A resolution. Structure. 2003 Jan;11(1):87-97." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000149 LDHC P07864 LDHC_HUMAN 17139284; 17016423; 182529; 3735252; 2751392 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Spielmann H, Eibs HG, Mentzel C: Rapid purification of lactate dehydrogenase X from mouse testes by two steps of affinity chromatography on oxamate-sepharose. Experientia. 1976 Aug 15;32(8):1085-6.@@Morris ID, Higgins C, Matlin SA: Inhibition of testicular LDH-X from laboratory animals and man by gossypol and its isomers. J Reprod Fertil. 1986 Jul;77(2):607-12.@@Gu Y, Davis DR, Lin YC: Developmental changes in lactate dehydrogenase-X activity in young jaundiced male rats. Arch Androl. 1989;22(2):131-6." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000068 LDHB P07195 LDHB_HUMAN 17139284; 17016423; 12054772; 16198644; 4303363 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Razeto A, Kochhar S, Hottinger H, Dauter M, Wilson KS, Lamzin VS: Domain closure, substrate specificity and catalysis of D-lactate dehydrogenase from Lactobacillus bulgaricus. J Mol Biol. 2002 Apr 19;318(1):109-19.@@Mdluli K, Booth MP, Brady RL, Rumsby G: A preliminary account of the properties of recombinant human Glyoxylate reductase (GRHPR), LDHA and LDHB with glyoxylate, and their potential roles in its metabolism. Biochim Biophys Acta. 2005 Dec 1;1753(2):209-16. Epub 2005 Aug 22.@@Clausen J: Lactate dehydrogenase isoenzymes of sperm cells and tests. Biochem J. 1969 Jan;111(2):207-18." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000586 EHHADH Q08426 ECHP_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000377 HADH Q16836 HCDH_HUMAN 17202348 "Norman JP, Perry SW, Kasischke KA, Volsky DJ, Gelbard HA: HIV-1 trans activator of transcription protein elicits mitochondrial hyperpolarization and respiratory deficit, with dysregulation of complex IV and nicotinamide adenine dinucleotide homeostasis in cortical neurons. J Immunol. 2007 Jan 15;178(2):869-76." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000328 ME3 Q16798 MAON_HUMAN 16740313; 17080607; 17603759 "Luo C, Wang X, Long J, Liu J: An NADH-tetrazolium-coupled sensitive assay for malate dehydrogenase in mitochondria and crude tissue homogenates. J Biochem Biophys Methods. 2006 Aug 31;68(2):101-11. Epub 2006 Apr 26.@@Wei H, Dhanaraj AL, Arora R, Rowland LJ, Fu Y, Sun L: Identification of cold acclimation-responsive Rhododendron genes for lipid metabolism, membrane transport and lignin biosynthesis: importance of moderately abundant ESTs in genomic studies. Plant Cell Environ. 2006 Apr;29(4):558-70.@@Rzem R, Vincent MF, Van Schaftingen E, Veiga-da-Cunha M: L-2-hydroxyglutaric aciduria, a defect of metabolite repair. J Inherit Metab Dis. 2007 Oct;30(5):681-9. Epub 2007 Jun 21." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000589 MDH1 P40925 MDHC_HUMAN 16983536 "Drew DP, Lunde C, Lahnstein J, Fincher GB: Heterologous expression of cDNAs encoding monodehydroascorbate reductases from the moss, Physcomitrella patens and characterization of the expressed enzymes. Planta. 2007 Mar;225(4):945-54." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000128 HIBADH P31937 3HIDH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000574 HMGCR P04035 HMDH_HUMAN 17139284; 17016423; 15755483; 15152097; 14511985 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Huber R, Riepe MW: Improved posthypoxic recovery in vitro on treatment with drugs used for secondary stroke prevention. Neuropharmacology. 2005 Mar;48(4):558-65.@@Hedl M, Rodwell VW: Inhibition of the class II HMG-CoA reductase of Pseudomonas mevalonii. Protein Sci. 2004 Jun;13(6):1693-7.@@Li S, Wagner CA, Friesen JA, Borst DW: 3-hydroxy-3-methylglutaryl-coenzyme A reductase in the lobster mandibular organ: regulation by the eyestalk. Gen Comp Endocrinol. 2003 Nov;134(2):147-55." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000604 ME1 P48163 MAOX_HUMAN 17197218 "McKinlay JB, Shachar-Hill Y, Zeikus JG, Vieille C: Determining Actinobacillus succinogenes metabolic pathways and fluxes by NMR and GC-MS analyses of 13C-labeled metabolic product isotopomers. Metab Eng. 2007 Mar;9(2):177-92. Epub 2006 Nov 17." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000771 IDH3G P51553 IDH3G_HUMAN 17139284; 17016423; 4292141; 14189899; 4380379 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Stein AM, Stein JH, Kirkman SK: Diphosphopyridine nucleotide specific isocitric dehydrogenase of mammalian mitochondria. I. On the roles of pyridine nucleotide transhydrogenase and the isocitric dehydrogenases in the respiration of mitochondria of normal and neoplastic tissues. Biochemistry. 1967 May;6(5):1370-9.@@SANWAL BD, ZINK MW, STACHOW CS: NICOTINAMIDE ADENINE DINUCLEOTIDE-SPECIFIC ISOCITRIC DEHYDROGENASE. A POSSIBLE REGULATORY PROTEIN. J Biol Chem. 1964 May;239:1597-603.@@Rose ZB: The stereochemistry of the nicotinamide adenine dinucleotide-specific isocitric dehydrogenase reaction. J Biol Chem. 1966 May 25;241(10):2311-3." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000011 IDH3A P50213 IDH3A_HUMAN 17139284; 17016423; 13152105; 4292141; 4380379 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@PLAUT GW, SUNG SC: Diphosphopyridine nucleotide isocitric dehydrogenase from animal tissues. J Biol Chem. 1954 Mar;207(1):305-14.@@Stein AM, Stein JH, Kirkman SK: Diphosphopyridine nucleotide specific isocitric dehydrogenase of mammalian mitochondria. I. On the roles of pyridine nucleotide transhydrogenase and the isocitric dehydrogenases in the respiration of mitochondria of normal and neoplastic tissues. Biochemistry. 1967 May;6(5):1370-9.@@Rose ZB: The stereochemistry of the nicotinamide adenine dinucleotide-specific isocitric dehydrogenase reaction. J Biol Chem. 1966 May 25;241(10):2311-3." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000438 AKR1C4 P17516 AK1C4_HUMAN 17139284; 17016423; 11037109 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Atalla A, Breyer-Pfaff U, Maser E: Purification and characterization of oxidoreductases-catalyzing carbonyl reduction of the tobacco-specific nitrosamine 4-methylnitrosamino-1-(3-pyridyl)-1-butanone (NNK) in human liver cytosol. Xenobiotica. 2000 Aug;30(8):755-69." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000592 AKR1C3 P42330 AK1C3_HUMAN 17139284; 17016423; 2615366; 2146972; 6584048 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Pineda JA, Murdock GL, Watson RJ, Warren JC: Stereospecificity of hydrogen transfer by bovine testicular 20 alpha-hydroxysteroid dehydrogenase. J Steroid Biochem. 1989 Dec;33(6):1223-8.@@Pineda JA, Murdock GL, Watson RJ, Warren JC: Stereospecificity of hydrogen transfer between progesterone and cofactor by human placental estradiol-17 beta dehydrogenase. J Steroid Biochem Mol Biol. 1990 Sep;37(1):65-70.@@Nicolas JC, Boussioux AM, Boularan AM, Descomps B, Crastes de Paulet A: Bioluminescent assay of femtomole levels of estrone and estradiol. Anal Biochem. 1983 Nov;135(1):141-5." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000552 HPGD P15428 PGDH_HUMAN 17463062 "Gao L, He P, Sha J, Liu C, Dai L, Hui N, Ni X: Corticotropin-releasing hormone receptor type 1 and type 2 mediate differential effects on 15-hydroxy prostaglandin dehydrogenase expression in cultured human chorion trophoblasts. Endocrinology. 2007 Aug;148(8):3645-54. Epub 2007 Apr 26." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000329 HSD11B1 P28845 DHI1_HUMAN 17139284; 17016423; 9141556; 8585102 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Diederich S, Hanke B, Oelkers W, Bahr V: Metabolism of dexamethasone in the human kidney: nicotinamide adenine dinucleotide-dependent 11beta-reduction. J Clin Endocrinol Metab. 1997 May;82(5):1598-602.@@Hermans JJ, Steckel B, Thijssen HH, Janssen BJ, Netter KJ, Maser E: Comparison of 11 beta-hydroxysteroid dehydrogenase in spontaneously hypertensive and Wistar-Kyoto rats. Steroids. 1995 Nov;60(11):773-9." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000260 HADHA P40939 ECHA_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000133 ALDH2 P05091 ALDH2_HUMAN 17488809; 16961761 "Quintanilla ME, Tampier L, Sapag A, Gerdtzen Z, Israel Y: Sex differences, alcohol dehydrogenase, acetaldehyde burst, and aversion to ethanol in the rat: a systems perspective. Am J Physiol Endocrinol Metab. 2007 Aug;293(2):E531-7. Epub 2007 May 8.@@Quintanilla ME, Israel Y, Sapag A, Tampier L: The UChA and UChB rat lines: metabolic and genetic differences influencing ethanol intake. Addict Biol. 2006 Sep;11(3-4):310-23." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000622 AKR1C2 P52895 AK1C2_HUMAN 17139284; 17016423; 12810547; 12416991 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Rizner TL, Lin HK, Peehl DM, Steckelbroeck S, Bauman DR, Penning TM: Human type 3 3alpha-hydroxysteroid dehydrogenase (aldo-keto reductase 1C2) and androgen metabolism in prostate cells. Endocrinology. 2003 Jul;144(7):2922-32.@@Trauger JW, Jiang A, Stearns BA, LoGrasso PV: Kinetics of allopregnanolone formation catalyzed by human 3 alpha-hydroxysteroid dehydrogenase type III (AKR1C2). Biochemistry. 2002 Nov 12;41(45):13451-9." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000044 NSDHL Q15738 NSDHL_HUMAN 17139284; 17016423; 15805545 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Cunningham D, Swartzlander D, Liyanarachchi S, Davuluri RV, Herman GE: Changes in gene expression associated with loss of function of the NSDHL sterol dehydrogenase in mouse embryonic fibroblasts. J Lipid Res. 2005 Jun;46(6):1150-62. Epub 2005 Apr 1." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000718 ALDH3A1 P30838 AL3A1_HUMAN 17139284; 17016423; 16583981 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wroczynski P, Nowak M, Wierzchowski J, Szubert A, Polanski J: Activities of cytosolic aldehyde dehydrogenase isozymes in colon cancer: determination using selective, fluorimetric assays. Acta Pol Pharm. 2005 Nov-Dec;62(6):427-33." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000554 ALDH1A1 P00352 AL1A1_HUMAN 17139284; 17016423; 16583981; 11872149 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wroczynski P, Nowak M, Wierzchowski J, Szubert A, Polanski J: Activities of cytosolic aldehyde dehydrogenase isozymes in colon cancer: determination using selective, fluorimetric assays. Acta Pol Pharm. 2005 Nov-Dec;62(6):427-33.@@Russo J, Barnes A, Berger K, Desgrosellier J, Henderson J, Kanters A, Merkov L: 4-(N,N-dipropylamino)benzaldehyde inhibits the oxidation of all-trans retinal to all-trans retinoic acid by ALDH1A1, but not the differentiation of HL-60 promyelocytic leukemia cells exposed to all-trans retinal. BMC Pharmacol. 2002;2:4. Epub 2002 Feb 12." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000287 ALDH9A1 P49189 AL9A1_HUMAN 17139284; 17016423; 3129020; 7584606 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Prieto MI, Martin J, Balana-Fouce R, Garrido-Pertierra A: Properties of gamma-aminobutyraldehyde dehydrogenase from Escherichia coli. Biochimie. 1987 Nov-Dec;69(11-12):1161-8.@@Testore G, Colombatto S, Silvagno F, Bedino S: Purification and kinetic characterization of gamma-aminobutyraldehyde dehydrogenase from rat liver. Int J Biochem Cell Biol. 1995 Nov;27(11):1201-10." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000513 ALDH1A2 O94788 AL1A2_HUMAN 17139284; 17016423; 10320326; 11872149 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lamb AL, Newcomer ME: The structure of retinal dehydrogenase type II at 2.7 A resolution: implications for retinal specificity. Biochemistry. 1999 May 11;38(19):6003-11.@@Russo J, Barnes A, Berger K, Desgrosellier J, Henderson J, Kanters A, Merkov L: 4-(N,N-dipropylamino)benzaldehyde inhibits the oxidation of all-trans retinal to all-trans retinoic acid by ALDH1A1, but not the differentiation of HL-60 promyelocytic leukemia cells exposed to all-trans retinal. BMC Pharmacol. 2002;2:4. Epub 2002 Feb 12." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000152 ALDH5A1 P51649 SSDH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000225 PYCR1 P32322 P5CR1_HUMAN 16777263; 17474756 "Wang ZQ, Yuan YZ, Ou JQ, Lin QH, Zhang CF: Glutamine synthetase and glutamate dehydrogenase contribute differentially to proline accumulation in leaves of wheat (Triticum aestivum) seedlings exposed to different salinity. J Plant Physiol. 2007 Jun;164(6):695-701. Epub 2006 Jun 14.@@Forlani G, Giberti S, Berlicki L, Petrollino D, Kafarski P: Plant P5C reductase as a new target for aminomethylenebisphosphonates. J Agric Food Chem. 2007 May 30;55(11):4340-7. Epub 2007 May 3." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000180 GLUD1 P00367 DHE3_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000330 DHFR P00374 DYR_HUMAN 17115689; 17032644 "Argyrou A, Jin L, Siconilfi-Baez L, Angeletti RH, Blanchard JS: Proteome-wide profiling of isoniazid targets in Mycobacterium tuberculosis. Biochemistry. 2006 Nov 28;45(47):13947-53.@@Vickers TJ, Orsomando G, de la Garza RD, Scott DA, Kang SO, Hanson AD, Beverley SM: Biochemical and genetic analysis of methylenetetrahydrofolate reductase in Leishmania metabolism and virulence. J Biol Chem. 2006 Dec 15;281(50):38150-8. Epub 2006 Oct 10." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000162 OGDH Q02218 ODO1_HUMAN 17668068 "Mailloux RJ, Beriault R, Lemire J, Singh R, Chenier DR, Hamel RD, Appanna VD: The tricarboxylic acid cycle, an ancient metabolic network with a novel twist. PLoS One. 2007 Aug 1;2(8):e690." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000073 AASS Q9UDR5 AASS_HUMAN 17542618; 17002315; 17223709 "Xu H, West AH, Cook PF: Determinants of substrate specificity for saccharopine dehydrogenase from Saccharomyces cerevisiae. Biochemistry. 2007 Jun 26;46(25):7625-36. Epub 2007 Jun 2.@@Xu H, West AH, Cook PF: Overall kinetic mechanism of saccharopine dehydrogenase from Saccharomyces cerevisiae. Biochemistry. 2006 Oct 3;45(39):12156-66.@@Xu H, Alguindigue SS, West AH, Cook PF: A proposed proton shuttle mechanism for saccharopine dehydrogenase from Saccharomyces cerevisiae. Biochemistry. 2007 Jan 23;46(3):871-82." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000307 NDUFS7 O75251 NDUS7_HUMAN 17139284; 17016423; 10097178; 8938450; 8369340 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Schuler F, Yano T, Di Bernardo S, Yagi T, Yankovskaya V, Singer TP, Casida JE: NADH-quinone oxidoreductase: PSST subunit couples electron transfer from iron-sulfur cluster N2 to quinone. Proc Natl Acad Sci U S A. 1999 Mar 30;96(7):4149-53.@@Hyslop SJ, Duncan AM, Pitkanen S, Robinson BH: Assignment of the PSST subunit gene of human mitochondrial complex I to chromosome 19p13. Genomics. 1996 Nov 1;37(3):375-80.@@Albracht SP: Intimate relationships of the large and the small subunits of all nickel hydrogenases with two nuclear-encoded subunits of mitochondrial NADH: ubiquinone oxidoreductase. Biochim Biophys Acta. 1993 Sep 13;1144(2):221-4." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000617 MTHFD1 P11586 C1TC_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000268 MTHFD2 P13995 MTDC_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000244 ALDH4A1 P30038 AL4A1_HUMAN 16934832 "Inagaki E, Ohshima N, Takahashi H, Kuroishi C, Yokoyama S, Tahirov TH: Crystal structure of Thermus thermophilus Delta1-pyrroline-5-carboxylate dehydrogenase. J Mol Biol. 2006 Sep 22;362(3):490-501. Epub 2006 Jul 29." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000160 CYB5R3 P00387 NB5R3_HUMAN 16814740; 17082011; 17401193; 17040106; 17341833 "Roma GW, Crowley LJ, Barber MJ: Expression and characterization of a functional canine variant of cytochrome b5 reductase. Arch Biochem Biophys. 2006 Aug 1;452(1):69-82. Epub 2006 May 24.@@Nussenzveig RH, Lingam HB, Gaikwad A, Zhu Q, Jing N, Prchal JT: A novel mutation of the cytochrome-b5 reductase gene in an Indian patient: the molecular basis of type I methemoglobinemia. Haematologica. 2006 Nov;91(11):1542-5.@@Kim S, Suga M, Ogasahara K, Ikegami T, Minami Y, Yubisui T, Tsukihara T: Structure of Physarum polycephalum cytochrome b5 reductase at 1.56 A resolution. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2007 Apr 1;63(Pt 4):274-9. Epub 2007 Mar 23.@@Kurian JR, Chin NA, Longlais BJ, Hayes KL, Trepanier LA: Reductive detoxification of arylhydroxylamine carcinogens by human NADH cytochrome b5 reductase and cytochrome b5. Chem Res Toxicol. 2006 Oct;19(10):1366-73.@@Ikegami T, Kameyama E, Yamamoto SY, Minami Y, Yubisui T: Structure and properties of the recombinant NADH-cytochrome b5 reductase of Physarum polycephalum. Biosci Biotechnol Biochem. 2007 Mar;71(3):783-90. Epub 2007 Mar 7." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000541 NDUFA11 Q86Y39 NDUAB_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000008 NNT Q13423 NNTM_HUMAN 17216441 "Kabus A, Georgi T, Wendisch VF, Bott M: Expression of the Escherichia coli pntAB genes encoding a membrane-bound transhydrogenase in Corynebacterium glutamicum improves L-lysine formation. Appl Microbiol Biotechnol. 2007 May;75(1):47-53. Epub 2007 Jan 11." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000473 NDUFA5 Q16718 NDUA5_HUMAN 17444656; 17209562 "Chen CL, Zhang L, Yeh A, Chen CA, Green-Church KB, Zweier JL, Chen YR: Site-specific S-glutathiolation of mitochondrial NADH ubiquinone reductase. Biochemistry. 2007 May 15;46(19):5754-65. Epub 2007 Apr 20.@@Belevich G, Euro L, Wikstrom M, Verkhovskaya M: Role of the conserved arginine 274 and histidine 224 and 228 residues in the NuoCD subunit of complex I from Escherichia coli. Biochemistry. 2007 Jan 16;46(2):526-33." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000305 NDUFA9 Q16795 NDUA9_HUMAN 17323923; 17132781; 17260964; 17499024; 17530440 "Barker CD, Reda T, Hirst J: The flavoprotein subcomplex of complex I (NADH:ubiquinone oxidoreductase) from bovine heart mitochondria: insights into the mechanisms of NADH oxidation and NAD+ reduction from protein film voltammetry. Biochemistry. 2007 Mar 20;46(11):3454-64. Epub 2007 Feb 27.@@Balaban RS: Maintenance of the metabolic homeostasis of the heart: developing a systems analysis approach. Ann N Y Acad Sci. 2006 Oct;1080:140-53.@@Matsuzaki S, Szweda LI: Inhibition of complex I by Ca2+ reduces electron transport activity and the rate of superoxide anion production in cardiac submitochondrial particles. Biochemistry. 2007 Feb 6;46(5):1350-7.@@Fisher N, Bray PG, Ward SA, Biagini GA: The malaria parasite type II NADH:quinone oxidoreductase: an alternative enzyme for an alternative lifestyle. Trends Parasitol. 2007 Jul;23(7):305-10. Epub 2007 May 10.@@Liu Y, Qiao DR, Zheng HB, Dai XL, Bai LH, Zeng J, Cao Y: Cloning and sequence analysis of the gene encoding 19-kD subunit of Complex I from Dunaliella salina. Mol Biol Rep. 2008 Sep;35(3):397-403. Epub 2007 May 26." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000081 NDUFA10 O95299 NDUAA_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000401 NDUFA7 O95182 NDUA7_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000213 NDUFA6 P56556 NDUA6_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000550 NDUFA2 O43678 NDUA2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000338 NDUFB1 O75438 NDUB1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000493 NDUFS1 P28331 NDUS1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000295 NDUFB4 O95168 NDUB4_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000729 NDUFS2 O75306 NDUS2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000243 NDUFB5 O43674 NDUB5_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000027 NDUFV3 P56181 NDUV3_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000737 DLD P09622 DLDH_HUMAN 17315258; 17017892; 17314104 "Yan LJ, Yang SH, Shu H, Prokai L, Forster MJ: Histochemical staining and quantification of dihydrolipoamide dehydrogenase diaphorase activity using blue native PAGE. Electrophoresis. 2007 Apr;28(7):1036-45.@@Gutierrez-Correa J: Trypanosoma cruzi dihydrolipoamide dehydrogenase as target for phenothiazine cationic radicals. Effect of antioxidants. Curr Drug Targets. 2006 Sep;7(9):1155-79.@@Islam MM, Wallin R, Wynn RM, Conway M, Fujii H, Mobley JA, Chuang DT, Hutson SM: A novel branched-chain amino acid metabolon. Protein-protein interactions in a supramolecular complex. J Biol Chem. 2007 Apr 20;282(16):11893-903. Epub 2007 Feb 21." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000191 NDUFS3 O75489 NDUS3_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000648 GSR P00390 GSHR_HUMAN 17502280; 17540766; 17053903; 17550271; 17565998 "Knapp KG, Swartz JR: Evidence for an additional disulfide reduction pathway in Escherichia coli. J Biosci Bioeng. 2007 Apr;103(4):373-6.@@Aon MA, Cortassa S, Maack C, O'Rourke B: Sequential opening of mitochondrial ion channels as a function of glutathione redox thiol status. J Biol Chem. 2007 Jul 27;282(30):21889-900. Epub 2007 May 31.@@Wan C, Li S, Wen L, Kong J, Wang K, Zhu Y: Damage of oxidative stress on mitochondria during microspores development in Honglian CMS line of rice. Plant Cell Rep. 2007 Mar;26(3):373-82. Epub 2006 Oct 12.@@Cheng Z, Arscott LD, Ballou DP, Williams CH Jr: The relationship of the redox potentials of thioredoxin and thioredoxin reductase from Drosophila melanogaster to the enzymatic mechanism: reduced thioredoxin is the reductant of glutathione in Drosophila. Biochemistry. 2007 Jul 3;46(26):7875-85. Epub 2007 Jun 6.@@Gazaryan IG, Krasinskaya IP, Kristal BS, Brown AM: Zinc irreversibly damages major enzymes of energy production and antioxidant defense prior to mitochondrial permeability transition. J Biol Chem. 2007 Aug 17;282(33):24373-80. Epub 2007 Jun 12." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000754 NDUFA12 Q9UI09 NDUAC_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000500 NDUFS4 O43181 NDUS4_HUMAN 17139284; 17016423; 11860175; 11181577; 11864782 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Papa S, Sardanelli AM, Scacco S, Petruzzella V, Technikova-Dobrova Z, Vergari R, Signorile A: The NADH: ubiquinone oxidoreductase (complex I) of the mammalian respiratory chain and the cAMP cascade. J Bioenerg Biomembr. 2002 Feb;34(1):1-10.@@Petruzzella V, Vergari R, Puzziferri I, Boffoli D, Lamantea E, Zeviani M, Papa S: A nonsense mutation in the NDUFS4 gene encoding the 18 kDa (AQDQ) subunit of complex I abolishes assembly and activity of the complex in a patient with Leigh-like syndrome. Hum Mol Genet. 2001 Mar 1;10(5):529-35.@@Raha S, Myint AT, Johnstone L, Robinson BH: Control of oxygen free radical formation from mitochondrial complex I: roles for protein kinase A and pyruvate dehydrogenase kinase. Free Radic Biol Med. 2002 Mar 1;32(5):421-30." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000137 NDUFV2 P19404 NDUV2_HUMAN 17139284; 17016423; 10716640 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Paunesku T, Chang-Liu CM, Shearin-Jones P, Watson C, Milton J, Oryhon J, Salbego D, Milosavljevic A, Woloschak GE: Identification of genes regulated by UV/salicylic acid. Int J Radiat Biol. 2000 Feb;76(2):189-98." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000093 NDUFS6 O75380 NDUS6_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000037 NDUFS8 O00217 NDUS8_HUMAN 17139284; 17016423; 11086155; 9837812; 9576793 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Albracht SP, Hedderich R: Learning from hydrogenases: location of a proton pump and of a second FMN in bovine NADH--ubiquinone oxidoreductase (Complex I). FEBS Lett. 2000 Nov 17;485(1):1-6.@@Loeffen J, Smeitink J, Triepels R, Smeets R, Schuelke M, Sengers R, Trijbels F, Hamel B, Mullaart R, van den Heuvel L: The first nuclear-encoded complex I mutation in a patient with Leigh syndrome. Am J Hum Genet. 1998 Dec;63(6):1598-608.@@Jose Quiles M, Cuello J: Association of ferredoxin-NADP oxidoreductase with the chloroplastic pyridine nucleotide dehydrogenase complex in barley leaves Plant Physiol. 1998 May;117(1):235-44." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000065 DLAT P10515 ODP2_HUMAN 17139284; 17016423; 16368957 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Shi S, Ehrt S: Dihydrolipoamide acyltransferase is critical for Mycobacterium tuberculosis pathogenesis. Infect Immun. 2006 Jan;74(1):56-63." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000096 MSMO1 Q15800 MSMO1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00157 NADH BE0000587 HMOX2 P30519 HMOX2_HUMAN 16986858; 17157188 "Tanaka M, Ohkubo K, Fukuzumi S: DNA cleavage by UVA irradiation of NADH with dioxygen via radical chain processes. J Phys Chem A. 2006 Sep 28;110(38):11214-8.@@Goldstone AB, Liochev SI, Fridovich I: Inactivation of copper, zinc superoxide dismutase by H2O2 : mechanism of protection. Free Radic Biol Med. 2006 Dec 15;41(12):1860-3. Epub 2006 Sep 19." Approved; Nutraceutical (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O "Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism" disease; metabolic 46504879 PA164755085 DAP001291 Nicotinamide_adenine_dinucleotide CHEMBL1234616 7222 DB00158 Folic acid BE0000652 FOLR3 P41439 FOLR3_HUMAN binder 17139284; 17016423; 8110752; 7727426; 8061055; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Shen F, Ross JF, Wang X, Ratnam M: Identification of a novel folate receptor, a truncated receptor, and receptor type beta in hematopoietic cells: cDNA cloning, expression, immunoreactivity, and tissue specificity. Biochemistry. 1994 Feb 8;33(5):1209-15.@@Shen F, Wu M, Ross JF, Miller D, Ratnam M: Folate receptor type gamma is primarily a secretory protein due to lack of an efficient signal for glycosylphosphatidylinositol modification: protein characterization and cell type specificity. Biochemistry. 1995 Apr 25;34(16):5660-5.@@Prasad PD, Ramamoorthy S, Moe AJ, Smith CH, Leibach FH, Ganapathy V: Selective expression of the high-affinity isoform of the folate receptor (FR-alpha) in the human placental syncytiotrophoblast and choriocarcinoma cells. Biochim Biophys Acta. 1994 Aug 11;1223(1):71-5.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Nutraceutical; Vet_approved Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Vitamins; Growth Substances; OAT1/SLC22A6 inhibitors; Dietary Supplements; Vitamin B Complex; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Pterins; BCRP/ABCG2 Substrates; Folic Acid and Derivatives; Biological Factors; Diagnostic Agents; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Hematinics; Food; Micronutrients; Pteridines; Antianemic Preparations; Autacoids; Hematologic Agents" NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1 "Methotrexate Action Pathway; Folate Metabolism; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Folate Malabsorption, Hereditary" disease; metabolic; drug_action 4991 46508092 D00070 PA449692 DAP001309 Folate CHEMBL1622 4511 DB00159 Icosapent BE0000215 PPARG P37231 PPARG_HUMAN agonist 12055328; 16702329; 11552681; 17052999; 17610002; 15698426 "Chambrier C, Bastard JP, Rieusset J, Chevillotte E, Bonnefont-Rousselot D, Therond P, Hainque B, Riou JP, Laville M, Vidal H: Eicosapentaenoic acid induces mRNA expression of peroxisome proliferator-activated receptor gamma. Obes Res. 2002 Jun;10(6):518-25.@@Selvaraj RK, Klasing KC: Lutein and eicosapentaenoic acid interact to modify iNOS mRNA levels through the PPARgamma/RXR pathway in chickens and HD11 cell lines. J Nutr. 2006 Jun;136(6):1610-6.@@Iwata Y, Miyamoto S, Takamura M, Yanagisawa H, Kasuya A: Interaction between peroxisome proliferator-activated receptor gamma and its agonists: docking study of oximes having 5-benzyl-2,4-thiazolidinedione. J Mol Graph Model. 2001;19(6):536-42, 598-600.@@Horia E, Watkins BA: Complementary actions of docosahexaenoic acid and genistein on COX-2, PGE2 and invasiveness in MDA-MB-231 breast cancer cells. Carcinogenesis. 2007 Apr;28(4):809-15. Epub 2006 Oct 19.@@Ramakers JD, Mensink RP, Schaart G, Plat J: Arachidonic acid but not eicosapentaenoic acid (EPA) and oleic acid activates NF-kappaB and elevates ICAM-1 expression in Caco-2 cells. Lipids. 2007 Aug;42(8):687-98. Epub 2007 Jul 3.@@Li H, Ruan XZ, Powis SH, Fernando R, Mon WY, Wheeler DC, Moorhead JF, Varghese Z: EPA and DHA reduce LPS-induced inflammation responses in HK-2 cells: evidence for a PPAR-gamma-dependent mechanism. Kidney Int. 2005 Mar;67(3):867-74." Approved; Nutraceutical Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Non COX-2 selective NSAIDS; Supplements; Anti-Inflammatory Agents; Nephrotoxic agents; Dietary Fats, Unsaturated; Eicosanoids; Dietary Supplements; Fish Oils; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Oils; Fatty Acids, Omega-3; Fatty Acids; Lipids; Agents that produce hypertension; Fats; Hypolipidemic Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Fatty Acids, Unsaturated; Dietary Fats" CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Alpha Linolenic Acid and Linoleic Acid Metabolism metabolic 1798 46506267 D08061 PA164746077 DAP000969 Eicosapentaenoic_acid CHEMBL460026 90 DB00159 Icosapent BE0001007 PPARD Q03181 PPARD_HUMAN agonist 11552681; 10198642; 17632107; 9610365; 16507691 "Iwata Y, Miyamoto S, Takamura M, Yanagisawa H, Kasuya A: Interaction between peroxisome proliferator-activated receptor gamma and its agonists: docking study of oximes having 5-benzyl-2,4-thiazolidinedione. J Mol Graph Model. 2001;19(6):536-42, 598-600.@@Xu HE, Lambert MH, Montana VG, Parks DJ, Blanchard SG, Brown PJ, Sternbach DD, Lehmann JM, Wisely GB, Willson TM, Kliewer SA, Milburn MV: Molecular recognition of fatty acids by peroxisome proliferator-activated receptors. Mol Cell. 1999 Mar;3(3):397-403.@@Kondo H, Misaki R, Gelman L, Watabe S: Ligand-dependent transcriptional activities of four torafugu pufferfish Takifugu rubripes peroxisome proliferator-activated receptors. Gen Comp Endocrinol. 2007 Oct-Dec;154(1-3):120-7. Epub 2007 Jun 12.@@Inoue I, Shino K, Noji S, Awata T, Katayama S: Expression of peroxisome proliferator-activated receptor alpha (PPAR alpha) in primary cultures of human vascular endothelial cells. Biochem Biophys Res Commun. 1998 May 19;246(2):370-4.@@Caldari-Torres C, Rodriguez-Sallaberry C, Greene ES, Badinga L: Differential effects of n-3 and n-6 fatty acids on prostaglandin F2alpha production by bovine endometrial cells. J Dairy Sci. 2006 Mar;89(3):971-7." Approved; Nutraceutical Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Non COX-2 selective NSAIDS; Supplements; Anti-Inflammatory Agents; Nephrotoxic agents; Dietary Fats, Unsaturated; Eicosanoids; Dietary Supplements; Fish Oils; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Oils; Fatty Acids, Omega-3; Fatty Acids; Lipids; Agents that produce hypertension; Fats; Hypolipidemic Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Fatty Acids, Unsaturated; Dietary Fats" CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Alpha Linolenic Acid and Linoleic Acid Metabolism metabolic 1798 46506267 D08061 PA164746077 DAP000969 Eicosapentaenoic_acid CHEMBL460026 90 DB00159 Icosapent BE0000986 SLC8A1 P32418 NAC1_HUMAN inhibitor 15358223 "Xiao YF, Ke Q, Chen Y, Morgan JP, Leaf A: Inhibitory effect of n-3 fish oil fatty acids on cardiac Na+/Ca2+ exchange currents in HEK293t cells. Biochem Biophys Res Commun. 2004 Aug 13;321(1):116-23." Approved; Nutraceutical Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Non COX-2 selective NSAIDS; Supplements; Anti-Inflammatory Agents; Nephrotoxic agents; Dietary Fats, Unsaturated; Eicosanoids; Dietary Supplements; Fish Oils; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Oils; Fatty Acids, Omega-3; Fatty Acids; Lipids; Agents that produce hypertension; Fats; Hypolipidemic Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Fatty Acids, Unsaturated; Dietary Fats" CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Alpha Linolenic Acid and Linoleic Acid Metabolism metabolic 1798 46506267 D08061 PA164746077 DAP000969 Eicosapentaenoic_acid CHEMBL460026 90 DB00159 Icosapent BE0000888 FADS1 O60427 FADS1_HUMAN agonist 10917903; 10685788; 11026622; 9610840; 9917342 "Barham JB, Edens MB, Fonteh AN, Johnson MM, Easter L, Chilton FH: Addition of eicosapentaenoic acid to gamma-linolenic acid-supplemented diets prevents serum arachidonic acid accumulation in humans. J Nutr. 2000 Aug;130(8):1925-31.@@Navarro E, Esteve M, Olive A, Klaassen J, Cabre E, Tena X, Fernandez-Banares F, Pastor C, Gassull MA: Abnormal fatty acid pattern in rheumatoid arthritis. A rationale for treatment with marine and botanical lipids. J Rheumatol. 2000 Feb;27(2):298-303.@@Engler MM, Bellenger-Germain SH, Engler MB, Narce MM, Poisson JP: Dietary docosahexaenoic acid affects stearic acid desaturation in spontaneously hypertensive rats. Lipids. 2000 Sep;35(9):1011-5.@@Chavali SR, Zhong WW, Forse RA: Dietary alpha-linolenic acid increases TNF-alpha, and decreases IL-6, IL-10 in response to LPS: effects of sesamin on the delta-5 desaturation of omega6 and omega3 fatty acids in mice. Prostaglandins Leukot Essent Fatty Acids. 1998 Mar;58(3):185-91.@@Watts JL, Browse J: Isolation and characterization of a Delta 5-fatty acid desaturase from Caenorhabditis elegans. Arch Biochem Biophys. 1999 Feb 1;362(1):175-82." Approved; Nutraceutical Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Non COX-2 selective NSAIDS; Supplements; Anti-Inflammatory Agents; Nephrotoxic agents; Dietary Fats, Unsaturated; Eicosanoids; Dietary Supplements; Fish Oils; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Oils; Fatty Acids, Omega-3; Fatty Acids; Lipids; Agents that produce hypertension; Fats; Hypolipidemic Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Fatty Acids, Unsaturated; Dietary Fats" CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Alpha Linolenic Acid and Linoleic Acid Metabolism metabolic 1798 46506267 D08061 PA164746077 DAP000969 Eicosapentaenoic_acid CHEMBL460026 90 DB00159 Icosapent BE0000996 ACSL4 O60488 ACSL4_HUMAN inducer 12784866; 15108178 "Heimli H, Hollung K, Drevon CA: Eicosapentaenoic acid-induced apoptosis depends on acyl CoA-synthetase. Lipids. 2003 Mar;38(3):263-8.@@Covault J, Pettinati H, Moak D, Mueller T, Kranzler HR: Association of a long-chain fatty acid-CoA ligase 4 gene polymorphism with depression and with enhanced niacin-induced dermal erythema. Am J Med Genet B Neuropsychiatr Genet. 2004 May 15;127B(1):42-7." Approved; Nutraceutical Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Non COX-2 selective NSAIDS; Supplements; Anti-Inflammatory Agents; Nephrotoxic agents; Dietary Fats, Unsaturated; Eicosanoids; Dietary Supplements; Fish Oils; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Oils; Fatty Acids, Omega-3; Fatty Acids; Lipids; Agents that produce hypertension; Fats; Hypolipidemic Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Fatty Acids, Unsaturated; Dietary Fats" CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Alpha Linolenic Acid and Linoleic Acid Metabolism metabolic 1798 46506267 D08061 PA164746077 DAP000969 Eicosapentaenoic_acid CHEMBL460026 90 DB00159 Icosapent BE0000071 PPARA Q07869 PPARA_HUMAN 10403814 "Murakami K, Ide T, Suzuki M, Mochizuki T, Kadowaki T: Evidence for direct binding of fatty acids and eicosanoids to human peroxisome proliferators-activated receptor alpha. Biochem Biophys Res Commun. 1999 Jul 14;260(3):609-13." Approved; Nutraceutical Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Non COX-2 selective NSAIDS; Supplements; Anti-Inflammatory Agents; Nephrotoxic agents; Dietary Fats, Unsaturated; Eicosanoids; Dietary Supplements; Fish Oils; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Oils; Fatty Acids, Omega-3; Fatty Acids; Lipids; Agents that produce hypertension; Fats; Hypolipidemic Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Fatty Acids, Unsaturated; Dietary Fats" CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Alpha Linolenic Acid and Linoleic Acid Metabolism metabolic 1798 46506267 D08061 PA164746077 DAP000969 Eicosapentaenoic_acid CHEMBL460026 90 DB00160 Alanine BE0000667 GPT P24298 ALAT1_HUMAN 17319845; 17403374; 17163821; 17353078 "Miyashita Y, Dolferus R, Ismond KP, Good AG: Alanine aminotransferase catalyses the breakdown of alanine after hypoxia in Arabidopsis thaliana. Plant J. 2007 Mar;49(6):1108-21. Epub 2007 Feb 22.@@Gray S, Wang B, Orihuela Y, Hong EG, Fisch S, Haldar S, Cline GW, Kim JK, Peroni OD, Kahn BB, Jain MK: Regulation of gluconeogenesis by Kruppel-like factor 15. Cell Metab. 2007 Apr;5(4):305-12.@@Taracha E, Habrat B, Chrapusta SJ, Lehner M, Wislowska A, Woronowicz BT, Bogulas M, Charewicz J, Markuszewski C, Plaznik A: Combining markers of nephrotoxicity and hepatotoxicity for improved monitoring and detection of chronic alcohol abuse. Clin Chem Lab Med. 2006;44(12):1446-52.@@Chen CH, Lee RP, Wu WT, Liao KW, Hsu N, Hsu BG: Fluvastatin ameliorates endotoxin induced multiple organ failure in conscious rats. Resuscitation. 2007 Jul;74(1):166-74. Epub 2007 Mar 13." Nutraceutical Alanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Alanine; Dietary Supplements; Amino Acids, Peptides, and Proteins" C[C@H](N)C(O)=O gamma-Glutamyltranspeptidase Deficiency; Clomocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; 5-Oxoprolinuria; Azithromycin Action Pathway; Glutamate Metabolism; Clindamycin Action Pathway; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Hyperinsulinism-Hyperammonemia Syndrome; Tryptophan Metabolism; Alanine Metabolism; Glutaminolysis and Cancer; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Selenoamino Acid Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Erythromycin Action Pathway; Netilmicin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway disease; metabolic; drug_action 2963 46504866 D00012 PA448055 DAP000805 Alanine CHEMBL279597 426 DB00160 Alanine BE0000151 NFS1 Q9Y697 NFS1_HUMAN 17469805; 17660944 "You D, Wang L, Yao F, Zhou X, Deng Z: A novel DNA modification by sulfur: DndA is a NifS-like cysteine desulfurase capable of assembling DndC as an iron-sulfur cluster protein in Streptomyces lividans. Biochemistry. 2007 May 22;46(20):6126-33. Epub 2007 May 1.@@Zeng J, Zhang Y, Liu Y, Zhang X, Xia L, Liu J, Qiu G: Expression, purification and characterization of a cysteine desulfurase, IscS, from Acidithiobacillus ferrooxidans. Biotechnol Lett. 2007 Dec;29(12):1983-90. Epub 2007 Jul 28." Nutraceutical Alanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Alanine; Dietary Supplements; Amino Acids, Peptides, and Proteins" C[C@H](N)C(O)=O gamma-Glutamyltranspeptidase Deficiency; Clomocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; 5-Oxoprolinuria; Azithromycin Action Pathway; Glutamate Metabolism; Clindamycin Action Pathway; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Hyperinsulinism-Hyperammonemia Syndrome; Tryptophan Metabolism; Alanine Metabolism; Glutaminolysis and Cancer; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Selenoamino Acid Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Erythromycin Action Pathway; Netilmicin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway disease; metabolic; drug_action 2963 46504866 D00012 PA448055 DAP000805 Alanine CHEMBL279597 426 DB00160 Alanine BE0000536 SLC36A1 Q7Z2H8 S36A1_HUMAN 17139284; 17016423; 16373326 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Miyauchi S, Abbot EL, Zhuang L, Subramanian R, Ganapathy V, Thwaites DT: Isolation and function of the amino acid transporter PAT1 (slc36a1) from rabbit and discrimination between transport via PAT1 and system IMINO in renal brush-border membrane vesicles. Mol Membr Biol. 2005 Nov-Dec;22(6):549-59." Nutraceutical Alanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Alanine; Dietary Supplements; Amino Acids, Peptides, and Proteins" C[C@H](N)C(O)=O gamma-Glutamyltranspeptidase Deficiency; Clomocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; 5-Oxoprolinuria; Azithromycin Action Pathway; Glutamate Metabolism; Clindamycin Action Pathway; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Hyperinsulinism-Hyperammonemia Syndrome; Tryptophan Metabolism; Alanine Metabolism; Glutaminolysis and Cancer; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Selenoamino Acid Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Erythromycin Action Pathway; Netilmicin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway disease; metabolic; drug_action 2963 46504866 D00012 PA448055 DAP000805 Alanine CHEMBL279597 426 DB00160 Alanine BE0000789 SLC7A8 Q9UHI5 LAT2_HUMAN 17504263 "Broer S, Broer A, Hansen JT, Bubb WA, Balcar VJ, Nasrallah FA, Garner B, Rae C: Alanine metabolism, transport, and cycling in the brain. J Neurochem. 2007 Sep;102(6):1758-70. Epub 2007 May 14." Nutraceutical Alanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Alanine; Dietary Supplements; Amino Acids, Peptides, and Proteins" C[C@H](N)C(O)=O gamma-Glutamyltranspeptidase Deficiency; Clomocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; 5-Oxoprolinuria; Azithromycin Action Pathway; Glutamate Metabolism; Clindamycin Action Pathway; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Hyperinsulinism-Hyperammonemia Syndrome; Tryptophan Metabolism; Alanine Metabolism; Glutaminolysis and Cancer; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Selenoamino Acid Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Erythromycin Action Pathway; Netilmicin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway disease; metabolic; drug_action 2963 46504866 D00012 PA448055 DAP000805 Alanine CHEMBL279597 426 DB00160 Alanine BE0000294 AARS P49588 SYAC_HUMAN 17139284; 17016423; 10871402; 8601277; 7742303 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Nagan MC, Beuning P, Musier-Forsyth K, Cramer CJ: Importance of discriminator base stacking interactions: molecular dynamics analysis of A73 microhelix(Ala) variants. Nucleic Acids Res. 2000 Jul 1;28(13):2527-34.@@McClain WH, Gabriel K, Schneider J: Specific function of a G.U wobble pair from an adjacent helical site in tRNA(Ala) during recognition by alanyl-tRNA synthetase. RNA. 1996 Feb;2(2):105-9.@@Buechter DD, Schimmel P: Minor groove recognition of the critical acceptor helix base pair by an appended module of a class II tRNA synthetase. Biochemistry. 1995 May 9;34(18):6014-9." Nutraceutical Alanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Alanine; Dietary Supplements; Amino Acids, Peptides, and Proteins" C[C@H](N)C(O)=O gamma-Glutamyltranspeptidase Deficiency; Clomocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; 5-Oxoprolinuria; Azithromycin Action Pathway; Glutamate Metabolism; Clindamycin Action Pathway; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Hyperinsulinism-Hyperammonemia Syndrome; Tryptophan Metabolism; Alanine Metabolism; Glutaminolysis and Cancer; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Selenoamino Acid Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Erythromycin Action Pathway; Netilmicin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway disease; metabolic; drug_action 2963 46504866 D00012 PA448055 DAP000805 Alanine CHEMBL279597 426 DB00160 Alanine BE0000480 SLC1A4 P43007 SATT_HUMAN 17311416; 17510490; 17237199; 17475673; 17195090 "Zhang Z, Papageorgiou G, Corrie JE, Grewer C: Pre-steady-state currents in neutral amino acid transporters induced by photolysis of a new caged alanine derivative. Biochemistry. 2007 Mar 27;46(12):3872-80. Epub 2007 Feb 21.@@Takasaki C, Miura E, Watanabe M: Segmental and complementary expression of L-serine biosynthetic enzyme 3-phosphoglycerate dehydrogenase and neutral amino acid transporter ASCT1 in the mouse kidney. Biomed Res. 2007 Apr;28(2):61-9.@@Zhang Z, Grewer C: The sodium-coupled neutral amino acid transporter SNAT2 mediates an anion leak conductance that is differentially inhibited by transported substrates. Biophys J. 2007 Apr 1;92(7):2621-32. Epub 2007 Jan 19.@@Pinho MJ, Pinto V, Serrao MP, Jose PA, Soares-da-Silva P: Underexpression of the Na+-dependent neutral amino acid transporter ASCT2 in the spontaneously hypertensive rat kidney. Am J Physiol Regul Integr Comp Physiol. 2007 Jul;293(1):R538-47. Epub 2007 May 2.@@Wu Y, Shen D, Chen Z, Clayton S, Vadgama JV: Taxol induced apoptosis regulates amino acid transport in breast cancer cells. Apoptosis. 2007 Mar;12(3):593-612. Epub 2006 Dec 29." Nutraceutical Alanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Alanine; Dietary Supplements; Amino Acids, Peptides, and Proteins" C[C@H](N)C(O)=O gamma-Glutamyltranspeptidase Deficiency; Clomocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; 5-Oxoprolinuria; Azithromycin Action Pathway; Glutamate Metabolism; Clindamycin Action Pathway; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Hyperinsulinism-Hyperammonemia Syndrome; Tryptophan Metabolism; Alanine Metabolism; Glutaminolysis and Cancer; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Selenoamino Acid Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Erythromycin Action Pathway; Netilmicin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway disease; metabolic; drug_action 2963 46504866 D00012 PA448055 DAP000805 Alanine CHEMBL279597 426 DB00160 Alanine BE0002164 PHYKPL Q8IUZ5 AT2L2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Nutraceutical Alanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Alanine; Dietary Supplements; Amino Acids, Peptides, and Proteins" C[C@H](N)C(O)=O gamma-Glutamyltranspeptidase Deficiency; Clomocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; 5-Oxoprolinuria; Azithromycin Action Pathway; Glutamate Metabolism; Clindamycin Action Pathway; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Hyperinsulinism-Hyperammonemia Syndrome; Tryptophan Metabolism; Alanine Metabolism; Glutaminolysis and Cancer; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Selenoamino Acid Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Erythromycin Action Pathway; Netilmicin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway disease; metabolic; drug_action 2963 46504866 D00012 PA448055 DAP000805 Alanine CHEMBL279597 426 DB00161 Valine BE0000544 PCCB P05166 PCCB_HUMAN 17139284; 17016423; 12409268 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kim SN, Ryu KH, Lee EH, Kim JS, Hahn SH: Molecular analysis of PCCB gene in Korean patients with propionic acidemia. Mol Genet Metab. 2002 Nov;77(3):209-16." Approved; Nutraceutical Valine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins" CC(C)[C@H](N)C(O)=O "3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Malonic Aciduria; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Propanoate Metabolism; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway" disease; metabolic; drug_action 9928 46504886 D00039 PA451843 Valine CHEMBL43068 11115 DB00161 Valine BE0000517 BCAT1 P54687 BCAT1_HUMAN 17554170; 15667998; 17077963 "Chen CD, Huang TF, Lin CH, Guan HH, Hsieh YC, Lin YH, Huang YC, Liu MY, Chang WC, Chen CJ: Purification, crystallization and preliminary X-ray crystallographic analysis of branched-chain aminotransferase from Deinococcus radiodurans. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2007 Jun 1;63(Pt 6):492-4. Epub 2007 May 5.@@Beck HC: Branched-chain fatty acid biosynthesis in a branched-chain amino acid aminotransferase mutant of Staphylococcus carnosus. FEMS Microbiol Lett. 2005 Feb 1;243(1):37-44.@@Saito M, Nishimura K, Wakabayashi S, Kurihara T, Nagata Y: Purification of branched-chain amino acid aminotransferase from Helicobacter pylori NCTC 11637. Amino Acids. 2007 Sep;33(3):445-9. Epub 2006 Nov 2." Approved; Nutraceutical Valine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins" CC(C)[C@H](N)C(O)=O "3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Malonic Aciduria; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Propanoate Metabolism; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway" disease; metabolic; drug_action 9928 46504886 D00039 PA451843 Valine CHEMBL43068 11115 DB00161 Valine BE0000223 VARS P26640 SYVC_HUMAN 17095543; 15710393 "Zhu B, Zhao MW, Eriani G, Wang ED: A present-day aminoacyl-tRNA synthetase with ancestral editing properties. RNA. 2007 Jan;13(1):15-21. Epub 2006 Nov 9.@@Laforest MJ, Delage L, Marechal-Drouard L: The T-domain of cytosolic tRNAVal, an essential determinant for mitochondrial import. FEBS Lett. 2005 Feb 14;579(5):1072-8." Approved; Nutraceutical Valine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins" CC(C)[C@H](N)C(O)=O "3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Malonic Aciduria; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Propanoate Metabolism; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway" disease; metabolic; drug_action 9928 46504886 D00039 PA451843 Valine CHEMBL43068 11115 DB00162 Vitamin A BE0005056 APOD P05090 APOD_HUMAN ligand 16461020 "Breustedt DA, Schonfeld DL, Skerra A: Comparative ligand-binding analysis of ten human lipocalins. Biochim Biophys Acta. 2006 Feb;1764(2):161-73. Epub 2006 Jan 6." Approved; Nutraceutical; Vet_approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Anti-Acne Preparations for Topical Use; Antioxidants; Vitamin A; Vitamins; Growth Substances; Protective Agents; Adjuvants, Immunologic; Tests for Fat Absorption; Dermatologicals; Esters; Anti-Acne Preparations; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Immunologic Factors; Cyclohexanes; Pigments, Biological; Nasal Preparations; Alimentary Tract and Metabolism; Terpenes; Anticarcinogenic Agents; Biological Factors; Diagnostic Agents; Diterpenes; Diet, Food, and Nutrition; Food; Retinoids; Compounds used in a research, industrial, or household setting; Micronutrients; Physiological Phenomena; Ophthalmologicals; Polyenes; Retinoids for Topical Use in Acne; Carotenoids; Sensory Organs" C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C Retinol Metabolism; Vitamin A Deficiency disease; metabolic 230 46508191 D00069 PA451884 DNC001498 Vitamin_A CHEMBL986 11246 DB00162 Vitamin A BE0000593 RDH13 Q8NBN7 RDH13_HUMAN substrate 17512723 "Keller B, Adamski J: RDH12, a retinol dehydrogenase causing Leber's congenital amaurosis, is also involved in steroid metabolism. J Steroid Biochem Mol Biol. 2007 May;104(3-5):190-4. Epub 2007 Mar 23." Approved; Nutraceutical; Vet_approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Anti-Acne Preparations for Topical Use; Antioxidants; Vitamin A; Vitamins; Growth Substances; Protective Agents; Adjuvants, Immunologic; Tests for Fat Absorption; Dermatologicals; Esters; Anti-Acne Preparations; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Immunologic Factors; Cyclohexanes; Pigments, Biological; Nasal Preparations; Alimentary Tract and Metabolism; Terpenes; Anticarcinogenic Agents; Biological Factors; Diagnostic Agents; Diterpenes; Diet, Food, and Nutrition; Food; Retinoids; Compounds used in a research, industrial, or household setting; Micronutrients; Physiological Phenomena; Ophthalmologicals; Polyenes; Retinoids for Topical Use in Acne; Carotenoids; Sensory Organs" C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C Retinol Metabolism; Vitamin A Deficiency disease; metabolic 230 46508191 D00069 PA451884 DNC001498 Vitamin_A CHEMBL986 11246 DB00162 Vitamin A BE0000513 ALDH1A2 O94788 AL1A2_HUMAN substrate 17098734; 17184764; 16538685; 16982809; 17270546 "Isken A, Holzschuh J, Lampert JM, Fischer L, Oberhauser V, Palczewski K, von Lintig J: Sequestration of retinyl esters is essential for retinoid signaling in the zebrafish embryo. J Biol Chem. 2007 Jan 12;282(2):1144-51. Epub 2006 Nov 10.@@Halilagic A, Ribes V, Ghyselinck NB, Zile MH, Dolle P, Studer M: Retinoids control anterior and dorsal properties in the developing forebrain. Dev Biol. 2007 Mar 1;303(1):362-75. Epub 2006 Nov 17.@@Asson-Batres MA, Smith WB: Localization of retinaldehyde dehydrogenases and retinoid binding proteins to sustentacular cells, glia, Bowman's gland cells, and stroma: potential sites of retinoic acid synthesis in the postnatal rat olfactory organ. J Comp Neurol. 2006 May 10;496(2):149-71.@@Szatmari I, Pap A, Ruhl R, Ma JX, Illarionov PA, Besra GS, Rajnavolgyi E, Dezso B, Nagy L: PPARgamma controls CD1d expression by turning on retinoic acid synthesis in developing human dendritic cells. J Exp Med. 2006 Oct 2;203(10):2351-62. Epub 2006 Sep 18.@@Nakazawa N, Montedonico S, Takayasu H, Paradisi F, Puri P: Disturbance of retinol transportation causes nitrofen-induced hypoplastic lung. J Pediatr Surg. 2007 Feb;42(2):345-9." Approved; Nutraceutical; Vet_approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Anti-Acne Preparations for Topical Use; Antioxidants; Vitamin A; Vitamins; Growth Substances; Protective Agents; Adjuvants, Immunologic; Tests for Fat Absorption; Dermatologicals; Esters; Anti-Acne Preparations; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Immunologic Factors; Cyclohexanes; Pigments, Biological; Nasal Preparations; Alimentary Tract and Metabolism; Terpenes; Anticarcinogenic Agents; Biological Factors; Diagnostic Agents; Diterpenes; Diet, Food, and Nutrition; Food; Retinoids; Compounds used in a research, industrial, or household setting; Micronutrients; Physiological Phenomena; Ophthalmologicals; Polyenes; Retinoids for Topical Use in Acne; Carotenoids; Sensory Organs" C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C Retinol Metabolism; Vitamin A Deficiency disease; metabolic 230 46508191 D00069 PA451884 DNC001498 Vitamin_A CHEMBL986 11246 DB00162 Vitamin A BE0000554 ALDH1A1 P00352 AL1A1_HUMAN substrate 16538685; 17329364; 16829625; 17486539; 16763553 "Asson-Batres MA, Smith WB: Localization of retinaldehyde dehydrogenases and retinoid binding proteins to sustentacular cells, glia, Bowman's gland cells, and stroma: potential sites of retinoic acid synthesis in the postnatal rat olfactory organ. J Comp Neurol. 2006 May 10;496(2):149-71.@@Chambers D, Wilson L, Maden M, Lumsden A: RALDH-independent generation of retinoic acid during vertebrate embryogenesis by CYP1B1. Development. 2007 Apr;134(7):1369-83. Epub 2007 Feb 28.@@Gyamfi MA, Kocsis MG, He L, Dai G, Mendy AJ, Wan YJ: The role of retinoid X receptor alpha in regulating alcohol metabolism. J Pharmacol Exp Ther. 2006 Oct;319(1):360-8. Epub 2006 Jul 7.@@Maden M, Blentic A, Reijntjes S, Seguin S, Gale E, Graham A: Retinoic acid is required for specification of the ventral eye field and for Rathke's pouch in the avian embryo. Int J Dev Biol. 2007;51(3):191-200.@@Huq MD, Tsai NP, Gupta P, Wei LN: Regulation of retinal dehydrogenases and retinoic acid synthesis by cholesterol metabolites. EMBO J. 2006 Jul 12;25(13):3203-13. Epub 2006 Jun 8." Approved; Nutraceutical; Vet_approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Anti-Acne Preparations for Topical Use; Antioxidants; Vitamin A; Vitamins; Growth Substances; Protective Agents; Adjuvants, Immunologic; Tests for Fat Absorption; Dermatologicals; Esters; Anti-Acne Preparations; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Immunologic Factors; Cyclohexanes; Pigments, Biological; Nasal Preparations; Alimentary Tract and Metabolism; Terpenes; Anticarcinogenic Agents; Biological Factors; Diagnostic Agents; Diterpenes; Diet, Food, and Nutrition; Food; Retinoids; Compounds used in a research, industrial, or household setting; Micronutrients; Physiological Phenomena; Ophthalmologicals; Polyenes; Retinoids for Topical Use in Acne; Carotenoids; Sensory Organs" C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C Retinol Metabolism; Vitamin A Deficiency disease; metabolic 230 46508191 D00069 PA451884 DNC001498 Vitamin_A CHEMBL986 11246 DB00162 Vitamin A BE0000900 LRAT O95237 LRAT_HUMAN substrate 16054134; 16174770 "Kaschula CH, Jin MH, Desmond-Smith NS, Travis GH: Acyl CoA:retinol acyltransferase (ARAT) activity is present in bovine retinal pigment epithelium. Exp Eye Res. 2006 Jan;82(1):111-21. Epub 2005 Jul 27.@@Liu L, Gudas LJ: Disruption of the lecithin:retinol acyltransferase gene makes mice more susceptible to vitamin A deficiency. J Biol Chem. 2005 Dec 2;280(48):40226-34. Epub 2005 Sep 20." Approved; Nutraceutical; Vet_approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Anti-Acne Preparations for Topical Use; Antioxidants; Vitamin A; Vitamins; Growth Substances; Protective Agents; Adjuvants, Immunologic; Tests for Fat Absorption; Dermatologicals; Esters; Anti-Acne Preparations; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Immunologic Factors; Cyclohexanes; Pigments, Biological; Nasal Preparations; Alimentary Tract and Metabolism; Terpenes; Anticarcinogenic Agents; Biological Factors; Diagnostic Agents; Diterpenes; Diet, Food, and Nutrition; Food; Retinoids; Compounds used in a research, industrial, or household setting; Micronutrients; Physiological Phenomena; Ophthalmologicals; Polyenes; Retinoids for Topical Use in Acne; Carotenoids; Sensory Organs" C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C Retinol Metabolism; Vitamin A Deficiency disease; metabolic 230 46508191 D00069 PA451884 DNC001498 Vitamin_A CHEMBL986 11246 DB00162 Vitamin A BE0002319 DHRS3 O75911 DHRS3_HUMAN substrate 9705317; 11861404; 12697717 "Haeseleer F, Huang J, Lebioda L, Saari JC, Palczewski K: Molecular characterization of a novel short-chain dehydrogenase/reductase that reduces all-trans-retinal. J Biol Chem. 1998 Aug 21;273(34):21790-9.@@Cerignoli F, Guo X, Cardinali B, Rinaldi C, Casaletto J, Frati L, Screpanti I, Gudas LJ, Gulino A, Thiele CJ, Giannini G: retSDR1, a short-chain retinol dehydrogenase/reductase, is retinoic acid-inducible and frequently deleted in human neuroblastoma cell lines. Cancer Res. 2002 Feb 15;62(4):1196-204.@@Chai Z, Brereton P, Suzuki T, Sasano H, Obeyesekere V, Escher G, Saffery R, Fuller P, Enriquez C, Krozowski Z: 17 beta-hydroxysteroid dehydrogenase type XI localizes to human steroidogenic cells. Endocrinology. 2003 May;144(5):2084-91." Approved; Nutraceutical; Vet_approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Anti-Acne Preparations for Topical Use; Antioxidants; Vitamin A; Vitamins; Growth Substances; Protective Agents; Adjuvants, Immunologic; Tests for Fat Absorption; Dermatologicals; Esters; Anti-Acne Preparations; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Immunologic Factors; Cyclohexanes; Pigments, Biological; Nasal Preparations; Alimentary Tract and Metabolism; Terpenes; Anticarcinogenic Agents; Biological Factors; Diagnostic Agents; Diterpenes; Diet, Food, and Nutrition; Food; Retinoids; Compounds used in a research, industrial, or household setting; Micronutrients; Physiological Phenomena; Ophthalmologicals; Polyenes; Retinoids for Topical Use in Acne; Carotenoids; Sensory Organs" C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C Retinol Metabolism; Vitamin A Deficiency disease; metabolic 230 46508191 D00069 PA451884 DNC001498 Vitamin_A CHEMBL986 11246 DB00163 Vitamin E BE0000256 SEC14L2 O76054 S14L2_HUMAN 16579965; 17252538 "Neuzil J, Dong LF, Wang XF, Zingg JM: Tocopherol-associated protein-1 accelerates apoptosis induced by alpha-tocopheryl succinate in mesothelioma cells. Biochem Biophys Res Commun. 2006 May 19;343(4):1113-7. Epub 2006 Mar 31.@@Ni J, Pang ST, Yeh S: Differential retention of alpha-vitamin E is correlated with its transporter gene expression and growth inhibition efficacy in prostate cancer cells. Prostate. 2007 Apr 1;67(5):463-71." Approved; Nutraceutical; Vet_approved Tocopherols Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids "Supplements; Antioxidants; Vitamins; Benzopyrans; Growth Substances; Basic Ointments and Protectants; Cytochrome P-450 CYP3A Substrates; Protective Agents; Dietary Supplements; Pyrans; Cytochrome P-450 Enzyme Inducers; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Vitamin E, analogs & derivatives; Biological Factors; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin E; Food; Cytochrome P-450 CYP3A4 Substrates; Micronutrients; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Cytochrome P-450 CYP3A Inducers" CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C 4930 46506524 PA451900 Vitamin_E CHEMBL47 11256 DB00163 Vitamin E BE0000872 PRKCB P05771 KPCB_HUMAN 17139284; 17016423; 15184978; 11850093; 10644549 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wigg SJ, Tare M, Forbes J, Cooper ME, Thomas MC, Coleman HA, Parkington HC, O'Brien RC: Early vitamin E supplementation attenuates diabetes-associated vascular dysfunction and the rise in protein kinase C-beta in mesenteric artery and ameliorates wall stiffness in femoral artery of Wistar rats. Diabetologia. 2004 Jun;47(6):1038-46. Epub 2004 Jun 8.@@Huang Y, Ishizuka T, Miura A, Kajita K, Ishizawa M, Kimura M, Yamamoto Y, Kawai Y, Morita H, Uno Y, Yasuda K: Effect of 1 alpha,25-dihydroxy vitamin D3 and vitamin E on insulin-induced glucose uptake in rat adipocytes. Diabetes Res Clin Pract. 2002 Mar;55(3):175-83.@@Ganz MB, Seftel A: Glucose-induced changes in protein kinase C and nitric oxide are prevented by vitamin E. Am J Physiol Endocrinol Metab. 2000 Jan;278(1):E146-52." Approved; Nutraceutical; Vet_approved Tocopherols Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids "Supplements; Antioxidants; Vitamins; Benzopyrans; Growth Substances; Basic Ointments and Protectants; Cytochrome P-450 CYP3A Substrates; Protective Agents; Dietary Supplements; Pyrans; Cytochrome P-450 Enzyme Inducers; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Vitamin E, analogs & derivatives; Biological Factors; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin E; Food; Cytochrome P-450 CYP3A4 Substrates; Micronutrients; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Cytochrome P-450 CYP3A Inducers" CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C 4930 46506524 PA451900 Vitamin_E CHEMBL47 11256 DB00163 Vitamin E BE0001132 PRKCA P17252 KPCA_HUMAN 17139284; 17016423; 9430404; 11736999; 11850093 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Azzi A, Boscoboinik D, Clement S, Marilley D, Ozer NK, Ricciarelli R, Tasinato A: Alpha-tocopherol as a modulator of smooth muscle cell proliferation. Prostaglandins Leukot Essent Fatty Acids. 1997 Oct;57(4-5):507-14.@@Sylvester PW, McIntyre BS, Gapor A, Briski KP: Vitamin E inhibition of normal mammary epithelial cell growth is associated with a reduction in protein kinase C(alpha) activation. Cell Prolif. 2001 Dec;34(6):347-57.@@Huang Y, Ishizuka T, Miura A, Kajita K, Ishizawa M, Kimura M, Yamamoto Y, Kawai Y, Morita H, Uno Y, Yasuda K: Effect of 1 alpha,25-dihydroxy vitamin D3 and vitamin E on insulin-induced glucose uptake in rat adipocytes. Diabetes Res Clin Pract. 2002 Mar;55(3):175-83." Approved; Nutraceutical; Vet_approved Tocopherols Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids "Supplements; Antioxidants; Vitamins; Benzopyrans; Growth Substances; Basic Ointments and Protectants; Cytochrome P-450 CYP3A Substrates; Protective Agents; Dietary Supplements; Pyrans; Cytochrome P-450 Enzyme Inducers; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Vitamin E, analogs & derivatives; Biological Factors; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin E; Food; Cytochrome P-450 CYP3A4 Substrates; Micronutrients; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Cytochrome P-450 CYP3A Inducers" CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C 4930 46506524 PA451900 Vitamin_E CHEMBL47 11256 DB00163 Vitamin E BE0002324 DGKA P23743 DGKA_HUMAN 28572624; 15773894 "Hayashi D, Yagi K, Song C, Ueda S, Yamanoue M, Topham M, Suzaki T, Saito N, Emoto N, Shirai Y: Diacylglycerol Kinase alpha is Involved in the Vitamin E-Induced Amelioration of Diabetic Nephropathy in Mice. Sci Rep. 2017 Jun 1;7(1):2597. doi: 10.1038/s41598-017-02354-3.@@Fukunaga-Takenaka R, Shirai Y, Yagi K, Adachi N, Sakai N, Merino E, Merida I, Saito N: Importance of chroman ring and tyrosine phosphorylation in the subtype-specific translocation and activation of diacylglycerol kinase alpha by D-alpha-tocopherol. Genes Cells. 2005 Apr;10(4):311-9. doi: 10.1111/j.1365-2443.2005.00842.x." Approved; Nutraceutical; Vet_approved Tocopherols Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids "Supplements; Antioxidants; Vitamins; Benzopyrans; Growth Substances; Basic Ointments and Protectants; Cytochrome P-450 CYP3A Substrates; Protective Agents; Dietary Supplements; Pyrans; Cytochrome P-450 Enzyme Inducers; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Vitamin E, analogs & derivatives; Biological Factors; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin E; Food; Cytochrome P-450 CYP3A4 Substrates; Micronutrients; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Cytochrome P-450 CYP3A Inducers" CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C 4930 46506524 PA451900 Vitamin_E CHEMBL47 11256 DB00163 Vitamin E BE0002325 PPP2CB P62714 PP2AB_HUMAN 9693126; 17320164; 10322434 "Ricciarelli R, Tasinato A, Clement S, Ozer NK, Boscoboinik D, Azzi A: alpha-Tocopherol specifically inactivates cellular protein kinase C alpha by changing its phosphorylation state. Biochem J. 1998 Aug 15;334 ( Pt 1):243-9. doi: 10.1042/bj3340243.@@Zingg JM: Modulation of signal transduction by vitamin E. Mol Aspects Med. 2007 Oct-Dec;28(5-6):481-506. doi: 10.1016/j.mam.2006.12.009. Epub 2007 Jan 12.@@Millward TA, Zolnierowicz S, Hemmings BA: Regulation of protein kinase cascades by protein phosphatase 2A. Trends Biochem Sci. 1999 May;24(5):186-91. doi: 10.1016/s0968-0004(99)01375-4." Approved; Nutraceutical; Vet_approved Tocopherols Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids "Supplements; Antioxidants; Vitamins; Benzopyrans; Growth Substances; Basic Ointments and Protectants; Cytochrome P-450 CYP3A Substrates; Protective Agents; Dietary Supplements; Pyrans; Cytochrome P-450 Enzyme Inducers; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Vitamin E, analogs & derivatives; Biological Factors; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin E; Food; Cytochrome P-450 CYP3A4 Substrates; Micronutrients; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Cytochrome P-450 CYP3A Inducers" CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C 4930 46506524 PA451900 Vitamin_E CHEMBL47 11256 DB00163 Vitamin E BE0002326 PPP2CA P67775 PP2AA_HUMAN 10322434; 9693126; 17320164 "Millward TA, Zolnierowicz S, Hemmings BA: Regulation of protein kinase cascades by protein phosphatase 2A. Trends Biochem Sci. 1999 May;24(5):186-91. doi: 10.1016/s0968-0004(99)01375-4.@@Ricciarelli R, Tasinato A, Clement S, Ozer NK, Boscoboinik D, Azzi A: alpha-Tocopherol specifically inactivates cellular protein kinase C alpha by changing its phosphorylation state. Biochem J. 1998 Aug 15;334 ( Pt 1):243-9. doi: 10.1042/bj3340243.@@Zingg JM: Modulation of signal transduction by vitamin E. Mol Aspects Med. 2007 Oct-Dec;28(5-6):481-506. doi: 10.1016/j.mam.2006.12.009. Epub 2007 Jan 12." Approved; Nutraceutical; Vet_approved Tocopherols Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids "Supplements; Antioxidants; Vitamins; Benzopyrans; Growth Substances; Basic Ointments and Protectants; Cytochrome P-450 CYP3A Substrates; Protective Agents; Dietary Supplements; Pyrans; Cytochrome P-450 Enzyme Inducers; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Vitamin E, analogs & derivatives; Biological Factors; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin E; Food; Cytochrome P-450 CYP3A4 Substrates; Micronutrients; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Cytochrome P-450 CYP3A Inducers" CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C 4930 46506524 PA451900 Vitamin_E CHEMBL47 11256 DB00165 Pyridoxine BE0000042 PDXK O00764 PDXK_HUMAN ligand 16494569; 16978644; 16466641; 18256491; 17766369 "Adams JB, George F, Audhya T: Abnormally high plasma levels of vitamin B6 in children with autism not taking supplements compared to controls not taking supplements. J Altern Complement Med. 2006 Jan-Feb;12(1):59-63.@@Newman JA, Das SK, Sedelnikova SE, Rice DW: The crystal structure of an ADP complex of Bacillus subtilis pyridoxal kinase provides evidence for the parallel emergence of enzyme activity during evolution. J Mol Biol. 2006 Oct 20;363(2):520-30. Epub 2006 Aug 12.@@Kim SY, An JJ, Kim DW, Choi SH, Lee SH, Hwang SI, Kwon OS, Kang TC, Won MH, Cho SW, Park J, Eum WS, Lee KS, Choi SY: Tat-mediated protein transduction of human brain pyridoxine-5-P oxidase into PC12 cells. J Biochem Mol Biol. 2006 Jan 31;39(1):76-83.@@Nagahashi Y, Tazoe M, Hoshino T: Cloning of the pyridoxine 5'-phosphate phosphatase gene (pdxP) and vitamin B6 production in pdxP recombinant Sinorhizobium meliloti. Biosci Biotechnol Biochem. 2008 Feb;72(2):421-7. Epub 2008 Feb 7.@@Musayev FN, di Salvo ML, Ko TP, Gandhi AK, Goswami A, Schirch V, Safo MK: Crystal Structure of human pyridoxal kinase: structural basis of M(+) and M(2+) activation. Protein Sci. 2007 Oct;16(10):2184-94. doi: 10.1110/ps.073022107. Epub 2007 Aug 31." Approved; Investigational; Nutraceutical; Vet_approved Pyridoxines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines "Drugs for Treatment of Tuberculosis; Vitamins; Vitamin B Complex; Diet, Food, and Nutrition; Food; Alimentary Tract and Metabolism; Picolines; Drugs that are Mainly Renally Excreted; Antimycobacterials; Antiinfectives for Systemic Use; Analogs/Derivatives; Pyridines; Micronutrients" CC1=C(O)C(CO)=C(CO)C=N1 Hypophosphatasia; Vitamin B6 Metabolism disease; metabolic 11169 46508560 PA451897 DAP000869 Pyridoxine CHEMBL1364 42954 DB00166 Lipoic acid BE0000094 SLC5A6 Q9Y289 SC5A6_HUMAN 10334869; 11955628; 12214555 "Prasad PD, Wang H, Huang W, Fei YJ, Leibach FH, Devoe LD, Ganapathy V: Molecular and functional characterization of the intestinal Na+-dependent multivitamin transporter. Arch Biochem Biophys. 1999 Jun 1;366(1):95-106.@@Dey S, Subramanian VS, Chatterjee NS, Rubin SA, Said HM: Characterization of the 5' regulatory region of the human sodium-dependent multivitamin transporter, hSMVT. Biochim Biophys Acta. 2002 Mar 19;1574(2):187-92.@@Griffin JB, Stanley JS, Zempleni J: Synthesis of a rabbit polyclonal antibody to the human sodium-dependent multivitamin transporter. Int J Vitam Nutr Res. 2002 Jul;72(4):195-8." Approved; Investigational; Nutraceutical Lipoic acids and derivatives Organic compounds; Organoheterocyclic compounds; Dithiolanes; Lipoic acids and derivatives "Supplements; Antioxidants; Vitamins; Enzymes and Coenzymes; Protective Agents; Dietary Supplements; Vitamin B Complex; Fatty Acids; Alimentary Tract and Metabolism; Biological Factors; Coenzymes; Lipids; Various Alimentary Tract and Metabolism Products; Micronutrients; Compounds used in a research, industrial, or household setting; Hypoglycemia-Associated Agents; Thiophenes; Sulfur Compounds" OC(=O)CCCC[C@@H]1CCSS1 46504826 D00086 PA164776929 Lipoic_acid CHEMBL134342 6417 DB00167 Isoleucine BE0000573 ACADSB P45954 ACDSB_HUMAN 15615815; 16317551; 16950638 "Korman SH, Andresen BS, Zeharia A, Gutman A, Boneh A, Pitt JJ: 2-ethylhydracrylic aciduria in short/branched-chain acyl-CoA dehydrogenase deficiency: application to diagnosis and implications for the R-pathway of isoleucine oxidation. Clin Chem. 2005 Mar;51(3):610-7. Epub 2004 Dec 22.@@Madsen PP, Kibaek M, Roca X, Sachidanandam R, Krainer AR, Christensen E, Steiner RD, Gibson KM, Corydon TJ, Knudsen I, Wanders RJ, Ruiter JP, Gregersen N, Andresen BS: Short/branched-chain acyl-CoA dehydrogenase deficiency due to an IVS3+3A>G mutation that causes exon skipping. Hum Genet. 2006 Feb;118(6):680-90. Epub 2005 Nov 30.@@Korman SH: Inborn errors of isoleucine degradation: a review. Mol Genet Metab. 2006 Dec;89(4):289-99. Epub 2006 Sep 6." Investigational; Nutraceutical Isoleucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins" CC[C@H](C)[C@H](N)C(O)=O "3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; 3-Methylglutaconic Aciduria Type IV; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway" disease; metabolic; drug_action 9929 46506864 D00065 PA164750430 Isoleucine CHEMBL1233584 6033 DB00167 Isoleucine BE0000517 BCAT1 P54687 BCAT1_HUMAN 12667063; 17554170; 15667998; 14962140; 12147502 "Goto M, Miyahara I, Hayashi H, Kagamiyama H, Hirotsu K: Crystal structures of branched-chain amino acid aminotransferase complexed with glutamate and glutarate: true reaction intermediate and double substrate recognition of the enzyme. Biochemistry. 2003 Apr 8;42(13):3725-33.@@Chen CD, Huang TF, Lin CH, Guan HH, Hsieh YC, Lin YH, Huang YC, Liu MY, Chang WC, Chen CJ: Purification, crystallization and preliminary X-ray crystallographic analysis of branched-chain aminotransferase from Deinococcus radiodurans. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2007 Jun 1;63(Pt 6):492-4. Epub 2007 May 5.@@Beck HC: Branched-chain fatty acid biosynthesis in a branched-chain amino acid aminotransferase mutant of Staphylococcus carnosus. FEMS Microbiol Lett. 2005 Feb 1;243(1):37-44.@@Thage BV, Rattray FP, Laustsen MW, Ardo Y, Barkholt V, Houlberg U: Purification and characterization of a branched-chain amino acid aminotransferase from Lactobacillus paracasei subsp. paracasei CHCC 2115. J Appl Microbiol. 2004;96(3):593-602.@@Madsen SM, Beck HC, Ravn P, Vrang A, Hansen AM, Israelsen H: Cloning and inactivation of a branched-chain-amino-acid aminotransferase gene from Staphylococcus carnosus and characterization of the enzyme. Appl Environ Microbiol. 2002 Aug;68(8):4007-14." Investigational; Nutraceutical Isoleucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins" CC[C@H](C)[C@H](N)C(O)=O "3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; 3-Methylglutaconic Aciduria Type IV; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway" disease; metabolic; drug_action 9929 46506864 D00065 PA164750430 Isoleucine CHEMBL1233584 6033 DB00167 Isoleucine BE0000721 BCAT2 O15382 BCAT2_HUMAN 12670965 "Berger BJ, English S, Chan G, Knodel MH: Methionine regeneration and aminotransferases in Bacillus subtilis, Bacillus cereus, and Bacillus anthracis. J Bacteriol. 2003 Apr;185(8):2418-31." Investigational; Nutraceutical Isoleucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins" CC[C@H](C)[C@H](N)C(O)=O "3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; 3-Methylglutaconic Aciduria Type IV; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway" disease; metabolic; drug_action 9929 46506864 D00065 PA164750430 Isoleucine CHEMBL1233584 6033 DB00167 Isoleucine BE0000491 IARS P41252 SYIC_HUMAN 12788342; 12783542; 16397872; 14672940; 15163798 "Crasto CF, Forrest AK, Karoli T, March DR, Mensah L, O'Hanlon PJ, Nairn MR, Oldham MD, Yue W, Banwell MG, Easton CJ: Synthesis and activity of analogues of the isoleucyl tRNA synthetase inhibitor SB-203207. Bioorg Med Chem. 2003 Jul 3;11(13):2687-94.@@Wang P, Tang Y, Tirrell DA: Incorporation of trifluoroisoleucine into proteins in vivo. J Am Chem Soc. 2003 Jun 11;125(23):6900-6.@@Mock ML, Michon T, van Hest JC, Tirrell DA: Stereoselective incorporation of an unsaturated isoleucine analogue into a protein expressed in E. coli. Chembiochem. 2006 Jan;7(1):83-7.@@Fukunaga R, Fukai S, Ishitani R, Nureki O, Yokoyama S: Crystal structures of the CP1 domain from Thermus thermophilus isoleucyl-tRNA synthetase and its complex with L-valine. J Biol Chem. 2004 Feb 27;279(9):8396-402. Epub 2003 Dec 12.@@Pezo V, Metzgar D, Hendrickson TL, Waas WF, Hazebrouck S, Doring V, Marliere P, Schimmel P, De Crecy-Lagard V: Artificially ambiguous genetic code confers growth yield advantage. Proc Natl Acad Sci U S A. 2004 Jun 8;101(23):8593-7. Epub 2004 May 26." Investigational; Nutraceutical Isoleucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins" CC[C@H](C)[C@H](N)C(O)=O "3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; 3-Methylglutaconic Aciduria Type IV; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway" disease; metabolic; drug_action 9929 46506864 D00065 PA164750430 Isoleucine CHEMBL1233584 6033 DB00167 Isoleucine BE0002328 IARS2 Q9NSE4 SYIM_HUMAN 12783542; 14672940; 17095543; 15663927; 16697013 "Wang P, Tang Y, Tirrell DA: Incorporation of trifluoroisoleucine into proteins in vivo. J Am Chem Soc. 2003 Jun 11;125(23):6900-6.@@Fukunaga R, Fukai S, Ishitani R, Nureki O, Yokoyama S: Crystal structures of the CP1 domain from Thermus thermophilus isoleucyl-tRNA synthetase and its complex with L-valine. J Biol Chem. 2004 Feb 27;279(9):8396-402. Epub 2003 Dec 12.@@Zhu B, Zhao MW, Eriani G, Wang ED: A present-day aminoacyl-tRNA synthetase with ancestral editing properties. RNA. 2007 Jan;13(1):15-21. Epub 2006 Nov 9.@@Fukunaga R, Yokoyama S: Crystal structure of leucyl-tRNA synthetase from the archaeon Pyrococcus horikoshii reveals a novel editing domain orientation. J Mol Biol. 2005 Feb 11;346(1):57-71. Epub 2004 Dec 19.@@Fukunaga R, Yokoyama S: Structural basis for substrate recognition by the editing domain of isoleucyl-tRNA synthetase. J Mol Biol. 2006 Jun 16;359(4):901-12. Epub 2006 Apr 25." Investigational; Nutraceutical Isoleucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins" CC[C@H](C)[C@H](N)C(O)=O "3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; 3-Methylglutaconic Aciduria Type IV; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway" disease; metabolic; drug_action 9929 46506864 D00065 PA164750430 Isoleucine CHEMBL1233584 6033 DB00169 Cholecalciferol BE0000779 VDR P11473 VDR_HUMAN agonist 15503649; 11752352; 20435140 "Reinhart GA: Vitamin D analogs: novel therapeutic agents for cardiovascular disease? Curr Opin Investig Drugs. 2004 Sep;5(9):947-51.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Fujishima T, Tsuji G, Tanaka C, Harayama H: Novel vitamin D receptor ligands having a carboxyl group as an anchor to arginine 274 in the ligand-binding domain. J Steroid Biochem Mol Biol. 2010 Jul;121(1-2):60-2. doi: 10.1016/j.jsbmb.2010.04.020. Epub 2010 May 6." Approved; Nutraceutical Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; Vitamins; Growth Substances; Cholecalciferol, antagonists & inhibitors; Cytochrome P-450 CYP3A Substrates; Cholestenes; Cytochrome P-450 CYP2C8 Inhibitors; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Musculo-Skeletal System; Diet, Food, and Nutrition; Vitamin D and Analogues; Calcium-Regulating Hormones and Agents; Lipids; Food; Drugs Affecting Bone Structure and Mineralization; Cytochrome P-450 CYP3A4 Substrates; Drugs for Treatment of Bone Diseases; Micronutrients; Secosteroids; Cholestanes; Sterols; Physiological Phenomena; Bone Density Conservation Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Membrane Lipids" CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Hyper-IgD Syndrome; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Risedronate Action Pathway; Mevalonic Aciduria; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; CHILD Syndrome; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Wolman Disease; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 703 46506365 D00188 PA164748138 DAP001273 Cholecalciferol CHEMBL1042 1244014 DB00170 Menadione BE0002329 VKORC1L1 Q8N0U8 VKORL_HUMAN cofactor 16677080; 16102054 "Oldenburg J, Bevans CG, Muller CR, Watzka M: Vitamin K epoxide reductase complex subunit 1 (VKORC1): the key protein of the vitamin K cycle. Antioxid Redox Signal. 2006 Mar-Apr;8(3-4):347-53.@@Stafford DW: The vitamin K cycle. J Thromb Haemost. 2005 Aug;3(8):1873-8." Approved; Nutraceutical Naphthoquinones Organic compounds; Benzenoids; Naphthalenes; Naphthoquinones "Supplements; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Phytol; Vitamins; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A5 Inhibitors; Dietary Supplements; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Antifibrinolytic Agents; Vitamins (Fat Soluble); Cytochrome P-450 Enzyme Inhibitors; Coagulants; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Terpenes; Quinones; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Naphthoquinones; Diterpenes; Diet, Food, and Nutrition; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vitamin K; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Food; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Micronutrients; Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Physiological Phenomena; Naphthalenes; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Fibrin Modulating Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CC1=CC(=O)C2=CC=CC=C2C1=O 4913 46505447 D02335 PA450358 DNC001501 Menadione CHEMBL590 6728 DB00170 Menadione BE0001184 NQO1 P15559 NQO1_HUMAN 10190578; 10614691; 10654840; 10939639; 12069105 "Munday R, Smith BL, Munday CM: Effect of butylated hydroxyanisole on the toxicity of 2-hydroxy-1,4-naphthoquinone to rats. Chem Biol Interact. 1999 Feb 12;117(3):241-56.@@Chiou TJ, Wang YT, Tzeng WF: DT-diaphorase protects against menadione-induced oxidative stress. Toxicology. 1999 Nov 29;139(1-2):103-10.@@Munday R, Smith BL, Munday CM: Effect of inducers of DT-diaphorase on the toxicity of 2-methyl- and 2-hydroxy-1,4-naphthoquinone to rats. Chem Biol Interact. 1999 Dec 15;123(3):219-37.@@Ip SP, Yiu HY, Ko KM: Schisandrin B protects against menadione-induced hepatotoxicity by enhancing DT-diaphorase activity. Mol Cell Biochem. 2000 May;208(1-2):151-5.@@Kishi T, Takahashi T, Mizobuchi S, Mori K, Okamoto T: Effect of dicumarol, a Nad(P)h: quinone acceptor oxidoreductase 1 (DT-diaphorase) inhibitor on ubiquinone redox cycling in cultured rat hepatocytes. Free Radic Res. 2002 Apr;36(4):413-9." Approved; Nutraceutical Naphthoquinones Organic compounds; Benzenoids; Naphthalenes; Naphthoquinones "Supplements; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Phytol; Vitamins; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A5 Inhibitors; Dietary Supplements; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Antifibrinolytic Agents; Vitamins (Fat Soluble); Cytochrome P-450 Enzyme Inhibitors; Coagulants; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Terpenes; Quinones; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Naphthoquinones; Diterpenes; Diet, Food, and Nutrition; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vitamin K; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Food; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Micronutrients; Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Physiological Phenomena; Naphthalenes; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Fibrin Modulating Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CC1=CC(=O)C2=CC=CC=C2C1=O 4913 46505447 D02335 PA450358 DNC001501 Menadione CHEMBL590 6728 DB00171 ATP BE0001188 ABCC4 O15439 MRP4_HUMAN 14978246 "Sauna ZE, Peng XH, Nandigama K, Tekle S, Ambudkar SV: The molecular basis of the action of disulfiram as a modulator of the multidrug resistance-linked ATP binding cassette transporters MDR1 (ABCB1) and MRP1 (ABCC1). Mol Pharmacol. 2004 Mar;65(3):675-84." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000785 ABCC1 P33527 MRP1_HUMAN 15459206 "Westlake CJ, Payen L, Gao M, Cole SP, Deeley RG: Identification and characterization of functionally important elements in the multidrug resistance protein 1 COOH-terminal region. J Biol Chem. 2004 Dec 17;279(51):53571-83. Epub 2004 Sep 30." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0001195 CFTR P13569 CFTR_HUMAN cofactor 15623556 "Berger AL, Ikuma M, Welsh MJ: Normal gating of CFTR requires ATP binding to both nucleotide-binding domains and hydrolysis at the second nucleotide-binding domain. Proc Natl Acad Sci U S A. 2005 Jan 11;102(2):455-60. Epub 2004 Dec 27." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0002379 PIK3CA P42336 PK3CA_HUMAN 18754654 "Folkes AJ, Ahmadi K, Alderton WK, Alix S, Baker SJ, Box G, Chuckowree IS, Clarke PA, Depledge P, Eccles SA, Friedman LS, Hayes A, Hancox TC, Kugendradas A, Lensun L, Moore P, Olivero AG, Pang J, Patel S, Pergl-Wilson GH, Raynaud FI, Robson A, Saghir N, Salphati L, Sohal S, Ultsch MH, Valenti M, Wallweber HJ, Wan NC, Wiesmann C, Workman P, Zhyvoloup A, Zvelebil MJ, Shuttleworth SJ: The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-t hieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer . J Med Chem. 2008 Sep 25;51(18):5522-32. doi: 10.1021/jm800295d." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0001209 CSNK2A1 P68400 CSK21_HUMAN 21174434 "Pierre F, Chua PC, O'Brien SE, Siddiqui-Jain A, Bourbon P, Haddach M, Michaux J, Nagasawa J, Schwaebe MK, Stefan E, Vialettes A, Whitten JP, Chen TK, Darjania L, Stansfield R, Anderes K, Bliesath J, Drygin D, Ho C, Omori M, Proffitt C, Streiner N, Trent K, Rice WG, Ryckman DM: Discovery and SAR of 5-(3-chlorophenylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid (CX-4945), the first clinical stage inhibitor of protein kinase CK2 for the treatment of cancer. J Med Chem. 2011 Jan 27;54(2):635-54. doi: 10.1021/jm101251q. Epub 2010 Dec 21." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0003160 PPP5C P53041 PPP5_HUMAN 23184943 "Hong TJ, Kim S, Wi AR, Lee P, Kang M, Jeong JH, Hahn JS: Dynamic nucleotide-dependent interactions of cysteine- and histidine-rich domain (CHORD)-containing Hsp90 cochaperones Chp-1 and melusin with cochaperones PP5 and Sgt1. J Biol Chem. 2013 Jan 4;288(1):215-22. doi: 10.1074/jbc.M112.398636. Epub 2012 Nov 26." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000435 ABL2 P42684 ABL2_HUMAN inhibitor 17139284; 17016423; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000350 ACSS2 Q9NR19 ACSA_HUMAN 17139284; 17016423; 12493915; 14704009 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Starai VJ, Celic I, Cole RN, Boeke JD, Escalante-Semerena JC: Sir2-dependent activation of acetyl-CoA synthetase by deacetylation of active lysine. Science. 2002 Dec 20;298(5602):2390-2.@@Schuler AJ, Jenkins D: Enhanced biological phosphorus removal from wastewater by biomass with different phosphorus contents, Part II: Anaerobic adenosine triphosphate utilization and acetate uptake rates. Water Environ Res. 2003 Nov-Dec;75(6):499-511." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000359 ALK Q9UM73 ALK_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000202 NAE1 Q13564 ULA1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000677 PRKAA1 Q13131 AAPK1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000434 ARAF P10398 ARAF_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000261 NT5C2 P49902 5NTC_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000750 ASNA1 O43681 ASNA_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000469 ABCC9 O60706 ABCC9_HUMAN 16845255; 16829188; 16897043 "Zhao JL, Yang YJ, You SJ, Jing ZC, Wu YJ, Cheng JL, Gao RL: Pretreatment with fosinopril or valsartan reduces myocardial no-reflow after acute myocardial infarction and reperfusion. Coron Artery Dis. 2006 Aug;17(5):463-9.@@Yang YJ, Zhao JL, You SJ, Wu YJ, Jing ZC, Gao RL, Chen ZJ: Post-infarction treatment with simvastatin reduces myocardial no-reflow by opening of the KATP channel. Eur J Heart Fail. 2007 Jan;9(1):30-6. Epub 2006 Jul 7.@@Bryan J, Munoz A, Zhang X, Dufer M, Drews G, Krippeit-Drews P, Aguilar-Bryan L: ABCC8 and ABCC9: ABC transporters that regulate K+ channels. Pflugers Arch. 2007 Feb;453(5):703-18. Epub 2006 Aug 8." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000428 AKT1 P31749 AKT1_HUMAN 17041888 "Van Meter TE, Broaddus WC, Cash D, Fillmore H: Cotreatment with a novel phosphoinositide analogue inhibitor and carmustine enhances chemotherapeutic efficacy by attenuating AKT activity in gliomas. Cancer. 2006 Nov 15;107(10):2446-54." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000341 ADRBK1 P25098 ARBK1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000310 APAF1 O14727 APAF_HUMAN 17139284; 17016423; 10935465 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chinnaiyan AM: The apoptosome: heart and soul of the cell death machine. Neoplasia. 1999 Apr;1(1):5-15." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000665 ACVR1B P36896 ACV1B_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000264 ACVR1 Q04771 ACVR1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000703 ABCB11 O95342 ABCBB_HUMAN 17126857; 16819395 "Snow KL, Moseley RH: Effect of thiazolidinediones on bile acid transport in rat liver. Life Sci. 2007 Jan 30;80(8):732-40. Epub 2006 Nov 10.@@Suchy FJ, Ananthanarayanan M: Bile salt excretory pump: biology and pathobiology. J Pediatr Gastroenterol Nutr. 2006 Jul;43 Suppl 1:S10-6." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000219 ASNS P08243 ASNS_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000437 CDK15 Q96Q40 CDK15_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000671 ASS1 P00966 ASSY_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000139 AFG3L2 Q9Y4W6 AFG32_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000018 ADRBK2 P35626 ARBK2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000014 ABL1 P00519 ABL1_HUMAN inhibitor 17139284; 17016423; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0000269 ADCY1 Q08828 ADCY1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0001032 ABCB1 P08183 MDR1_HUMAN 16842213; 16890580; 16944963; 17120199; 17417072 "Lage H: MDR1/P-glycoprotein (ABCB1) as target for RNA interference-mediated reversal of multidrug resistance. Curr Drug Targets. 2006 Jul;7(7):813-21.@@Gardner ER, Burger H, van Schaik RH, van Oosterom AT, de Bruijn EA, Guetens G, Prenen H, de Jong FA, Baker SD, Bates SE, Figg WD, Verweij J, Sparreboom A, Nooter K: Association of enzyme and transporter genotypes with the pharmacokinetics of imatinib. Clin Pharmacol Ther. 2006 Aug;80(2):192-201.@@Blume H, Donath F, Warnke A, Schug BS: Pharmacokinetic drug interaction profiles of proton pump inhibitors. Drug Saf. 2006;29(9):769-84. doi: 10.2165/00002018-200629090-00002.@@Gervasini G, Carrillo JA, Garcia M, San Jose C, Cabanillas A, Benitez J: Adenosine triphosphate-binding cassette B1 (ABCB1) (multidrug resistance 1) G2677T/A gene polymorphism is associated with high risk of lung cancer. Cancer. 2006 Dec 15;107(12):2850-7.@@Fukui N, Suzuki Y, Sawamura K, Sugai T, Watanabe J, Inoue Y, Someya T: Dose-dependent effects of the 3435 C>T genotype of ABCB1 gene on the steady-state plasma concentration of fluvoxamine in psychiatric patients. Ther Drug Monit. 2007 Apr;29(2):185-9." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00171 ATP BE0001168 ABCG1 P45844 ABCG1_HUMAN 16842213; 16876126; 16902423; 17117613; 17158291 "Lage H: MDR1/P-glycoprotein (ABCB1) as target for RNA interference-mediated reversal of multidrug resistance. Curr Drug Targets. 2006 Jul;7(7):813-21.@@Materna V, Stege A, Surowiak P, Priebsch A, Lage H: RNA interference-triggered reversal of ABCC2-dependent cisplatin resistance in human cancer cells. Biochem Biophys Res Commun. 2006 Sep 15;348(1):153-7. Epub 2006 Jul 14.@@Thomas AC, Cullup T, Norgett EE, Hill T, Barton S, Dale BA, Sprecher E, Sheridan E, Taylor AE, Wilroy RS, DeLozier C, Burrows N, Goodyear H, Fleckman P, Stephens KG, Mehta L, Watson RM, Graham R, Wolf R, Slavotinek A, Martin M, Bourn D, Mein CA, O'Toole EA, Kelsell DP: ABCA12 is the major harlequin ichthyosis gene. J Invest Dermatol. 2006 Nov;126(11):2408-13. Epub 2006 Aug 10.@@Girardin F: Membrane transporter proteins: a challenge for CNS drug development. Dialogues Clin Neurosci. 2006;8(3):311-21.@@Pinkett HW, Lee AT, Lum P, Locher KP, Rees DC: An inward-facing conformation of a putative metal-chelate-type ABC transporter. Science. 2007 Jan 19;315(5810):373-7. Epub 2006 Dec 7." Investigational; Nutraceutical Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism disease; metabolic; drug_action 46507614 D08646 PA164743471 DNC000262 Adenosine_triphosphate CHEMBL14249 318 DB00172 Proline BE0000225 PYCR1 P32322 P5CR1_HUMAN 17536821; 16874462; 16600630 "Huang TC, Huang YW, Hung HJ, Ho CT, Wu ML: Delta1-pyrroline-5-carboxylic acid formed by proline dehydrogenase from the Bacillus subtilis ssp. natto expressed in Escherichia coli as a precursor for 2-acetyl-1-pyrroline. J Agric Food Chem. 2007 Jun 27;55(13):5097-102. Epub 2007 May 31.@@Hu CA, Donald SP, Yu J, Lin WW, Liu Z, Steel G, Obie C, Valle D, Phang JM: Overexpression of proline oxidase induces proline-dependent and mitochondria-mediated apoptosis. Mol Cell Biochem. 2007 Jan;295(1-2):85-92. Epub 2006 Jul 28.@@Meng Z, Lou Z, Liu Z, Hui D, Bartlam M, Rao Z: Purification, characterization, and crystallization of human pyrroline-5-carboxylate reductase. Protein Expr Purif. 2006 Sep;49(1):83-7. Epub 2006 Mar 20." Nutraceutical Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Imino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins" OC(=O)[C@@H]1CCCN1 "Clomocycline Action Pathway; The Oncogenic Action of Succinate; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Rolitetracycline Action Pathway; Hyperornithinemia with Gyrate Atrophy (HOGA); Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; The Oncogenic Action of Fumarate; Azithromycin Action Pathway; Hyperprolinemia Type II; Clindamycin Action Pathway; Clarithromycin Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Troleandomycin Action Pathway; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Hyperprolinemia Type I; Neomycin Action Pathway; Roxithromycin Action Pathway; Arginine and Proline Metabolism; Prolinemia Type II; Arbekacin Action Pathway; Streptomycin Action Pathway" disease; metabolic; drug_action 9396 46506858 D00035 PA451125 DAP000198 Proline CHEMBL54922 8737 DB00172 Proline BE0000188 EPRS P07814 SYEP_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Nutraceutical Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Imino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins" OC(=O)[C@@H]1CCCN1 "Clomocycline Action Pathway; The Oncogenic Action of Succinate; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Rolitetracycline Action Pathway; Hyperornithinemia with Gyrate Atrophy (HOGA); Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; The Oncogenic Action of Fumarate; Azithromycin Action Pathway; Hyperprolinemia Type II; Clindamycin Action Pathway; Clarithromycin Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Troleandomycin Action Pathway; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Hyperprolinemia Type I; Neomycin Action Pathway; Roxithromycin Action Pathway; Arginine and Proline Metabolism; Prolinemia Type II; Arbekacin Action Pathway; Streptomycin Action Pathway" disease; metabolic; drug_action 9396 46506858 D00035 PA451125 DAP000198 Proline CHEMBL54922 8737 DB00172 Proline BE0002331 PPIH O43447 PPIH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Nutraceutical Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Imino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins" OC(=O)[C@@H]1CCCN1 "Clomocycline Action Pathway; The Oncogenic Action of Succinate; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Rolitetracycline Action Pathway; Hyperornithinemia with Gyrate Atrophy (HOGA); Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; The Oncogenic Action of Fumarate; Azithromycin Action Pathway; Hyperprolinemia Type II; Clindamycin Action Pathway; Clarithromycin Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Troleandomycin Action Pathway; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Hyperprolinemia Type I; Neomycin Action Pathway; Roxithromycin Action Pathway; Arginine and Proline Metabolism; Prolinemia Type II; Arbekacin Action Pathway; Streptomycin Action Pathway" disease; metabolic; drug_action 9396 46506858 D00035 PA451125 DAP000198 Proline CHEMBL54922 8737 DB00172 Proline BE0002149 PROSC O94903 PROSC_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Nutraceutical Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Imino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins" OC(=O)[C@@H]1CCCN1 "Clomocycline Action Pathway; The Oncogenic Action of Succinate; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Rolitetracycline Action Pathway; Hyperornithinemia with Gyrate Atrophy (HOGA); Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; The Oncogenic Action of Fumarate; Azithromycin Action Pathway; Hyperprolinemia Type II; Clindamycin Action Pathway; Clarithromycin Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Troleandomycin Action Pathway; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Hyperprolinemia Type I; Neomycin Action Pathway; Roxithromycin Action Pathway; Arginine and Proline Metabolism; Prolinemia Type II; Arbekacin Action Pathway; Streptomycin Action Pathway" disease; metabolic; drug_action 9396 46506858 D00035 PA451125 DAP000198 Proline CHEMBL54922 8737 DB00172 Proline BE0000060 P4HA1 P13674 P4HA1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Nutraceutical Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Imino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins" OC(=O)[C@@H]1CCCN1 "Clomocycline Action Pathway; The Oncogenic Action of Succinate; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Rolitetracycline Action Pathway; Hyperornithinemia with Gyrate Atrophy (HOGA); Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; The Oncogenic Action of Fumarate; Azithromycin Action Pathway; Hyperprolinemia Type II; Clindamycin Action Pathway; Clarithromycin Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Troleandomycin Action Pathway; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Hyperprolinemia Type I; Neomycin Action Pathway; Roxithromycin Action Pathway; Arginine and Proline Metabolism; Prolinemia Type II; Arbekacin Action Pathway; Streptomycin Action Pathway" disease; metabolic; drug_action 9396 46506858 D00035 PA451125 DAP000198 Proline CHEMBL54922 8737 DB00172 Proline BE0001014 PPIA P62937 PPIA_HUMAN binder 17139284; 17016423; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Nutraceutical Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Imino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins" OC(=O)[C@@H]1CCCN1 "Clomocycline Action Pathway; The Oncogenic Action of Succinate; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Rolitetracycline Action Pathway; Hyperornithinemia with Gyrate Atrophy (HOGA); Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; The Oncogenic Action of Fumarate; Azithromycin Action Pathway; Hyperprolinemia Type II; Clindamycin Action Pathway; Clarithromycin Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Troleandomycin Action Pathway; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Hyperprolinemia Type I; Neomycin Action Pathway; Roxithromycin Action Pathway; Arginine and Proline Metabolism; Prolinemia Type II; Arbekacin Action Pathway; Streptomycin Action Pathway" disease; metabolic; drug_action 9396 46506858 D00035 PA451125 DAP000198 Proline CHEMBL54922 8737 DB00172 Proline BE0002334 PPIG Q13427 PPIG_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Nutraceutical Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Imino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins" OC(=O)[C@@H]1CCCN1 "Clomocycline Action Pathway; The Oncogenic Action of Succinate; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Rolitetracycline Action Pathway; Hyperornithinemia with Gyrate Atrophy (HOGA); Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; The Oncogenic Action of Fumarate; Azithromycin Action Pathway; Hyperprolinemia Type II; Clindamycin Action Pathway; Clarithromycin Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Troleandomycin Action Pathway; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Hyperprolinemia Type I; Neomycin Action Pathway; Roxithromycin Action Pathway; Arginine and Proline Metabolism; Prolinemia Type II; Arbekacin Action Pathway; Streptomycin Action Pathway" disease; metabolic; drug_action 9396 46506858 D00035 PA451125 DAP000198 Proline CHEMBL54922 8737 DB00172 Proline BE0002202 P3H1 Q32P28 P3H1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Nutraceutical Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Imino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins" OC(=O)[C@@H]1CCCN1 "Clomocycline Action Pathway; The Oncogenic Action of Succinate; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Rolitetracycline Action Pathway; Hyperornithinemia with Gyrate Atrophy (HOGA); Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; The Oncogenic Action of Fumarate; Azithromycin Action Pathway; Hyperprolinemia Type II; Clindamycin Action Pathway; Clarithromycin Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Troleandomycin Action Pathway; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Hyperprolinemia Type I; Neomycin Action Pathway; Roxithromycin Action Pathway; Arginine and Proline Metabolism; Prolinemia Type II; Arbekacin Action Pathway; Streptomycin Action Pathway" disease; metabolic; drug_action 9396 46506858 D00035 PA451125 DAP000198 Proline CHEMBL54922 8737 DB00172 Proline BE0002206 P3H2 Q8IVL5 P3H2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Nutraceutical Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Imino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins" OC(=O)[C@@H]1CCCN1 "Clomocycline Action Pathway; The Oncogenic Action of Succinate; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Rolitetracycline Action Pathway; Hyperornithinemia with Gyrate Atrophy (HOGA); Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; The Oncogenic Action of Fumarate; Azithromycin Action Pathway; Hyperprolinemia Type II; Clindamycin Action Pathway; Clarithromycin Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Troleandomycin Action Pathway; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Hyperprolinemia Type I; Neomycin Action Pathway; Roxithromycin Action Pathway; Arginine and Proline Metabolism; Prolinemia Type II; Arbekacin Action Pathway; Streptomycin Action Pathway" disease; metabolic; drug_action 9396 46506858 D00035 PA451125 DAP000198 Proline CHEMBL54922 8737 DB00172 Proline BE0002208 P3H3 Q8IVL6 P3H3_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Nutraceutical Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Imino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins" OC(=O)[C@@H]1CCCN1 "Clomocycline Action Pathway; The Oncogenic Action of Succinate; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Rolitetracycline Action Pathway; Hyperornithinemia with Gyrate Atrophy (HOGA); Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; The Oncogenic Action of Fumarate; Azithromycin Action Pathway; Hyperprolinemia Type II; Clindamycin Action Pathway; Clarithromycin Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Troleandomycin Action Pathway; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Hyperprolinemia Type I; Neomycin Action Pathway; Roxithromycin Action Pathway; Arginine and Proline Metabolism; Prolinemia Type II; Arbekacin Action Pathway; Streptomycin Action Pathway" disease; metabolic; drug_action 9396 46506858 D00035 PA451125 DAP000198 Proline CHEMBL54922 8737 DB00173 Adenine BE0000702 ACACB O00763 ACACB_HUMAN 17139284; 17016423; 8318018; 2880560; 12829626; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Rasmussen JT, Rosendal J, Knudsen J: Interaction of acyl-CoA binding protein (ACBP) on processes for which acyl-CoA is a substrate, product or inhibitor. Biochem J. 1993 Jun 15;292 ( Pt 3):907-13.@@Witters LA, Mendel DB, Colliton JW: Modulation of acetyl-CoA carboxylase by inhibitors of IMP dehydrogenase: implications for insulin regulation. Arch Biochem Biophys. 1987 Jan;252(1):130-5.@@Itani SI, Saha AK, Kurowski TG, Coffin HR, Tornheim K, Ruderman NB: Glucose autoregulates its uptake in skeletal muscle: involvement of AMP-activated protein kinase. Diabetes. 2003 Jul;52(7):1635-40.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Nutraceutical 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Supplements; Purines; Heterocyclic Compounds, Fused-Ring; UGT1A1 Inhibitors; Dietary Supplements" NC1=C2NC=NC2=NC=N1 Gout or Kelley-Seegmiller Syndrome; Purine Metabolism; Lesch-Nyhan Syndrome (LNS); Myoadenylate Deaminase Deficiency; Molybdenum Cofactor Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Thioguanine Action Pathway; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Purine Nucleoside Phosphorylase Deficiency; Adenylosuccinate Lyase Deficiency; Xanthinuria Type II disease; metabolic; drug_action 5028 46507319 D00034 PA448048 DAP000982 Adenine CHEMBL226345 290 DB00173 Adenine BE0003786 ACP1 P24666 PPAC_HUMAN 17139284; 17016423; 10684601; 15358193; 7629177; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wang S, Stauffacher CV, Van Etten RL: Structural and mechanistic basis for the activation of a low-molecular weight protein tyrosine phosphatase by adenine. Biochemistry. 2000 Feb 15;39(6):1234-42.@@Magherini F, Gamberi T, Paoli P, Marchetta M, Biagini M, Raugei G, Camici G, Ramponi G, Modesti A: The in vivo tyrosine phosphorylation level of yeast immunophilin Fpr3 is influenced by the LMW-PTP Ltp1. Biochem Biophys Res Commun. 2004 Aug 20;321(2):424-31.@@Ostanin K, Pokalsky C, Wang S, Van Etten RL: Cloning and characterization of a Saccharomyces cerevisiae gene encoding the low molecular weight protein-tyrosine phosphatase. J Biol Chem. 1995 Aug 4;270(31):18491-9.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Nutraceutical 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Supplements; Purines; Heterocyclic Compounds, Fused-Ring; UGT1A1 Inhibitors; Dietary Supplements" NC1=C2NC=NC2=NC=N1 Gout or Kelley-Seegmiller Syndrome; Purine Metabolism; Lesch-Nyhan Syndrome (LNS); Myoadenylate Deaminase Deficiency; Molybdenum Cofactor Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Thioguanine Action Pathway; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Purine Nucleoside Phosphorylase Deficiency; Adenylosuccinate Lyase Deficiency; Xanthinuria Type II disease; metabolic; drug_action 5028 46507319 D00034 PA448048 DAP000982 Adenine CHEMBL226345 290 DB00173 Adenine BE0002791 PECR Q9BY49 PECR_HUMAN Approved; Nutraceutical 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Supplements; Purines; Heterocyclic Compounds, Fused-Ring; UGT1A1 Inhibitors; Dietary Supplements" NC1=C2NC=NC2=NC=N1 Gout or Kelley-Seegmiller Syndrome; Purine Metabolism; Lesch-Nyhan Syndrome (LNS); Myoadenylate Deaminase Deficiency; Molybdenum Cofactor Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Thioguanine Action Pathway; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Purine Nucleoside Phosphorylase Deficiency; Adenylosuccinate Lyase Deficiency; Xanthinuria Type II disease; metabolic; drug_action 5028 46507319 D00034 PA448048 DAP000982 Adenine CHEMBL226345 290 DB00173 Adenine BE0004323 SRPK2 P78362 SRPK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Nutraceutical 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Supplements; Purines; Heterocyclic Compounds, Fused-Ring; UGT1A1 Inhibitors; Dietary Supplements" NC1=C2NC=NC2=NC=N1 Gout or Kelley-Seegmiller Syndrome; Purine Metabolism; Lesch-Nyhan Syndrome (LNS); Myoadenylate Deaminase Deficiency; Molybdenum Cofactor Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Thioguanine Action Pathway; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Purine Nucleoside Phosphorylase Deficiency; Adenylosuccinate Lyase Deficiency; Xanthinuria Type II disease; metabolic; drug_action 5028 46507319 D00034 PA448048 DAP000982 Adenine CHEMBL226345 290 DB00174 Asparagine BE0009976 SLC38A1 Q969I6 S38A4_HUMAN inhibitor 7595553 "Keep RF, Xiang J: N-system amino acid transport at the blood--CSF barrier. J Neurochem. 1995 Dec;65(6):2571-6. doi: 10.1046/j.1471-4159.1995.65062571.x." Approved; Investigational; Nutraceutical Asparagine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Amino Acids, Peptides, and Proteins; Dietary Supplements; Amino Acids, Diamino; Amino Acids, Neutral" N[C@@H](CC(N)=O)C(O)=O Clomocycline Action Pathway; Rolitetracycline Action Pathway; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Canavan Disease; Hypoacetylaspartia; Tobramycin Action Pathway; Azithromycin Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; Troleandomycin Action Pathway; Amikacin Action Pathway; Streptomycin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Doxycycline Action Pathway; Aspartate Metabolism; Telithromycin Action Pathway; Ammonia Recycling; Neomycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Arbekacin Action Pathway; Clindamycin Action Pathway disease; metabolic; drug_action 46507804 PA164776968 Asparagine CHEMBL58832 1157 DB00174 Asparagine BE0000236 SLC1A5 Q15758 AAAT_HUMAN 17094966; 15581847 "Dun Y, Mysona B, Itagaki S, Martin-Studdard A, Ganapathy V, Smith SB: Functional and molecular analysis of D-serine transport in retinal Muller cells. Exp Eye Res. 2007 Jan;84(1):191-9. Epub 2006 Nov 13.@@Oppedisano F, Pochini L, Galluccio M, Cavarelli M, Indiveri C: Reconstitution into liposomes of the glutamine/amino acid transporter from renal cell plasma membrane: functional characterization, kinetics and activation by nucleotides. Biochim Biophys Acta. 2004 Dec 15;1667(2):122-31." Approved; Investigational; Nutraceutical Asparagine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Amino Acids, Peptides, and Proteins; Dietary Supplements; Amino Acids, Diamino; Amino Acids, Neutral" N[C@@H](CC(N)=O)C(O)=O Clomocycline Action Pathway; Rolitetracycline Action Pathway; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Canavan Disease; Hypoacetylaspartia; Tobramycin Action Pathway; Azithromycin Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; Troleandomycin Action Pathway; Amikacin Action Pathway; Streptomycin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Doxycycline Action Pathway; Aspartate Metabolism; Telithromycin Action Pathway; Ammonia Recycling; Neomycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Arbekacin Action Pathway; Clindamycin Action Pathway disease; metabolic; drug_action 46507804 PA164776968 Asparagine CHEMBL58832 1157 DB00174 Asparagine BE0000219 ASNS P08243 ASNS_HUMAN 12706338; 14990305; 15574844; 16164412; 17380207 "Tesson AR, Soper TS, Ciustea M, Richards NG: Revisiting the steady state kinetic mechanism of glutamine-dependent asparagine synthetase from Escherichia coli. Arch Biochem Biophys. 2003 May 1;413(1):23-31.@@Fresquet V, Thoden JB, Holden HM, Raushel FM: Kinetic mechanism of asparagine synthetase from Vibrio cholerae. Bioorg Chem. 2004 Apr;32(2):63-75.@@Chaffei C, Pageau K, Suzuki A, Gouia H, Ghorbel MH, Masclaux-Daubresse C: Cadmium toxicity induced changes in nitrogen management in Lycopersicon esculentum leading to a metabolic safeguard through an amino acid storage strategy. Plant Cell Physiol. 2004 Nov;45(11):1681-93.@@Al Sarraj J, Vinson C, Thiel G: Regulation of asparagine synthetase gene transcription by the basic region leucine zipper transcription factors ATF5 and CHOP. Biol Chem. 2005 Sep;386(9):873-9.@@Iwamoto S, Mihara K, Downing JR, Pui CH, Campana D: Mesenchymal cells regulate the response of acute lymphoblastic leukemia cells to asparaginase. J Clin Invest. 2007 Apr;117(4):1049-57. Epub 2007 Mar 22." Approved; Investigational; Nutraceutical Asparagine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Amino Acids, Peptides, and Proteins; Dietary Supplements; Amino Acids, Diamino; Amino Acids, Neutral" N[C@@H](CC(N)=O)C(O)=O Clomocycline Action Pathway; Rolitetracycline Action Pathway; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Canavan Disease; Hypoacetylaspartia; Tobramycin Action Pathway; Azithromycin Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; Troleandomycin Action Pathway; Amikacin Action Pathway; Streptomycin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Doxycycline Action Pathway; Aspartate Metabolism; Telithromycin Action Pathway; Ammonia Recycling; Neomycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Arbekacin Action Pathway; Clindamycin Action Pathway disease; metabolic; drug_action 46507804 PA164776968 Asparagine CHEMBL58832 1157 DB00174 Asparagine BE0002230 ASRGL1 Q7L266 ASGL1_HUMAN substrate 26780688; 22891768 "Li W, Irani S, Crutchfield A, Hodge K, Matthews W, Patel P, Zhang YJ, Stone E: Intramolecular Cleavage of the hASRGL1 Homodimer Occurs in Two Stages. Biochemistry. 2016 Feb 16;55(6):960-9. doi: 10.1021/acs.biochem.5b01157. Epub 2016 Feb 2.@@Li W, Cantor JR, Yogesha SD, Yang S, Chantranupong L, Liu JQ, Agnello G, Georgiou G, Stone EM, Zhang Y: Uncoupling intramolecular processing and substrate hydrolysis in the N-terminal nucleophile hydrolase hASRGL1 by circular permutation. ACS Chem Biol. 2012 Nov 16;7(11):1840-7. doi: 10.1021/cb300232n. Epub 2012 Aug 29." Approved; Investigational; Nutraceutical Asparagine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Amino Acids, Peptides, and Proteins; Dietary Supplements; Amino Acids, Diamino; Amino Acids, Neutral" N[C@@H](CC(N)=O)C(O)=O Clomocycline Action Pathway; Rolitetracycline Action Pathway; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Canavan Disease; Hypoacetylaspartia; Tobramycin Action Pathway; Azithromycin Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; Troleandomycin Action Pathway; Amikacin Action Pathway; Streptomycin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Doxycycline Action Pathway; Aspartate Metabolism; Telithromycin Action Pathway; Ammonia Recycling; Neomycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Arbekacin Action Pathway; Clindamycin Action Pathway disease; metabolic; drug_action 46507804 PA164776968 Asparagine CHEMBL58832 1157 DB00174 Asparagine BE0002338 NARS2 Q96I59 SYNM_HUMAN 16753178; 12874385 "Iwasaki W, Sekine S, Kuroishi C, Kuramitsu S, Shirouzu M, Yokoyama S: Structural basis of the water-assisted asparagine recognition by asparaginyl-tRNA synthetase. J Mol Biol. 2006 Jul 7;360(2):329-42. Epub 2006 May 15.@@Roy H, Becker HD, Reinbolt J, Kern D: When contemporary aminoacyl-tRNA synthetases invent their cognate amino acid metabolism. Proc Natl Acad Sci U S A. 2003 Aug 19;100(17):9837-42. Epub 2003 Jul 21." Approved; Investigational; Nutraceutical Asparagine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Supplements; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Amino Acids, Peptides, and Proteins; Dietary Supplements; Amino Acids, Diamino; Amino Acids, Neutral" N[C@@H](CC(N)=O)C(O)=O Clomocycline Action Pathway; Rolitetracycline Action Pathway; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Canavan Disease; Hypoacetylaspartia; Tobramycin Action Pathway; Azithromycin Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; Troleandomycin Action Pathway; Amikacin Action Pathway; Streptomycin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Doxycycline Action Pathway; Aspartate Metabolism; Telithromycin Action Pathway; Ammonia Recycling; Neomycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Arbekacin Action Pathway; Clindamycin Action Pathway disease; metabolic; drug_action 46507804 PA164776968 Asparagine CHEMBL58832 1157 DB00175 Pravastatin BE0000574 HMGCR P04035 HMDH_HUMAN inhibitor 11752352; 25591572; 11298482 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ye YC, Zhao XL, Zhang SY: Use of atorvastatin in lipid disorders and cardiovascular disease in Chinese patients. Chin Med J (Engl). 2015 Jan 20;128(2):259-66. doi: 10.4103/0366-6999.149226.@@Ray SK, Rege NN: Atorvastatin: in the management of hyperlipidaemia. J Postgrad Med. 2000 Jul-Sep;46(3):242-3." Approved Medium-chain hydroxy acids and derivatives Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives "OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; OAT1/SLC22A6 inhibitors; Lipid Modifying Agents; Noxae; BCRP/ABCG2 Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Lipid Regulating Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Drugs causing inadvertant photosensitivity; OATP2B1/SLCO2B1 substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; Toxic Actions" [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC Pravastatin Action Pathway drug_action 1201 46504851 D08410 PA451089 DAP000550 Pravastatin CHEMBL1144 42463 DB00175 Pravastatin BE0002366 HDAC2 Q92769 HDAC2_HUMAN inhibitor 18381445 "Lin YC, Lin JH, Chou CW, Chang YF, Yeh SH, Chen CC: Statins increase p21 through inhibition of histone deacetylase activity and release of promoter-associated HDAC1/2. Cancer Res. 2008 Apr 1;68(7):2375-83. doi: 10.1158/0008-5472.CAN-07-5807." Approved Medium-chain hydroxy acids and derivatives Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives "OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; OAT1/SLC22A6 inhibitors; Lipid Modifying Agents; Noxae; BCRP/ABCG2 Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Lipid Regulating Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Drugs causing inadvertant photosensitivity; OATP2B1/SLCO2B1 substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; Toxic Actions" [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC Pravastatin Action Pathway drug_action 1201 46504851 D08410 PA451089 DAP000550 Pravastatin CHEMBL1144 42463 DB00179 Masoprocol BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Approved; Investigational Dibenzylbutane lignans "Organic compounds; Lignans, neolignans and related compounds; Dibenzylbutane lignans" "Antioxidants; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Protective Agents; Benzene Derivatives; Lipoxygenase Inhibitors; Phenols; Benzyl Compounds; Antineoplastic Agents; Biological Factors; Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Compounds used in a research, industrial, or household setting; Lignans; Cyclooxygenase Inhibitors; Antineoplastic and Immunomodulating Agents; Catechols" C[C@@H](CC1=CC(O)=C(O)C=C1)[C@H](C)CC1=CC(O)=C(O)C=C1 46508042 D04862 PA164746493 DNC001037 Masoprocol CHEMBL313972 227239 DB00179 Masoprocol BE0004624 TRPM7 Q96QT4 TRPM7_HUMAN inhibitor 20567598 "Chen HC, Xie J, Zhang Z, Su LT, Yue L, Runnels LW: Blockade of TRPM7 channel activity and cell death by inhibitors of 5-lipoxygenase. PLoS One. 2010 Jun 17;5(6):e11161. doi: 10.1371/journal.pone.0011161." Approved; Investigational Dibenzylbutane lignans "Organic compounds; Lignans, neolignans and related compounds; Dibenzylbutane lignans" "Antioxidants; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Protective Agents; Benzene Derivatives; Lipoxygenase Inhibitors; Phenols; Benzyl Compounds; Antineoplastic Agents; Biological Factors; Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Compounds used in a research, industrial, or household setting; Lignans; Cyclooxygenase Inhibitors; Antineoplastic and Immunomodulating Agents; Catechols" C[C@@H](CC1=CC(O)=C(O)C=C1)[C@H](C)CC1=CC(O)=C(O)C=C1 46508042 D04862 PA164746493 DNC001037 Masoprocol CHEMBL313972 227239 DB00180 Flunisolide BE0000794 NR3C1 P04150 GCR_HUMAN agonist 2386110; 9563368; 15285788; 9523318; 11368283; 8466638; 11752352 "Hochhaus G, Moellmann HW: Binding affinities of rimexolone (ORG 6216), flunisolide and their putative metabolites for the glucocorticoid receptor of human synovial tissue. Agents Actions. 1990 Jun;30(3-4):377-80.@@Johnson M: Development of fluticasone propionate and comparison with other inhaled corticosteroids. J Allergy Clin Immunol. 1998 Apr;101(4 Pt 2):S434-9.@@Valotis A, Hogger P: Significant receptor affinities of metabolites and a degradation product of mometasone furoate. Respir Res. 2004 Jul 22;5:7.@@Hogger P, Erpenstein U, Rohdewald P, Sorg C: Biochemical characterization of a glucocorticoid-induced membrane protein (RM3/1) in human monocytes and its application as model system for ranking glucocorticoid potency. Pharm Res. 1998 Feb;15(2):296-302.@@Badia L, Lund V: Topical corticosteroids in nasal polyposis. Drugs. 2001;61(5):573-8.@@Philibert D, Bouchoux F, Cerede E, Corallo F, Allaire JM: [Pharmacologic study of the glucocorticoid activity of flunisolide compared with other steroids in the rat]. Allerg Immunol (Paris). 1993 Feb;25(2):77-81.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnanes; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Steroids; Nasal Preparations; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Adrenals; Corticosteroids for Systemic Use" [H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO 2133 46507894 PA449661 DAP001046 Flunisolide CHEMBL1512 1546428 DB00181 Baclofen BE0002340 GABBR2 O75899 GABR2_HUMAN agonist 15235087; 8388192; 10751439; 19303900; 10328880; 10545129; 22559224; 16182939 "Braun M, Wendt A, Buschard K, Salehi A, Sewing S, Gromada J, Rorsman P: GABAB receptor activation inhibits exocytosis in rat pancreatic beta-cells by G-protein-dependent activation of calcineurin. J Physiol. 2004 Sep 1;559(Pt 2):397-409. Epub 2004 Jul 2.@@Bowery NG: GABAB receptor pharmacology. Annu Rev Pharmacol Toxicol. 1993;33:109-47.@@Filippov AK, Couve A, Pangalos MN, Walsh FS, Brown DA, Moss SJ: Heteromeric assembly of GABA(B)R1 and GABA(B)R2 receptor subunits inhibits Ca(2+) current in sympathetic neurons. J Neurosci. 2000 Apr 15;20(8):2867-74.@@Lehmann A: GABAB receptors as drug targets to treat gastroesophageal reflux disease. Pharmacol Ther. 2009 Jun;122(3):239-45. doi: 10.1016/j.pharmthera.2009.02.008. Epub 2009 Mar 19.@@Martin SC, Russek SJ, Farb DH: Molecular identification of the human GABABR2: cell surface expression and coupling to adenylyl cyclase in the absence of GABABR1. Mol Cell Neurosci. 1999 Mar;13(3):180-91.@@Pittman QJ: The action is at the terminal. J Physiol. 1999 Nov 1;520 Pt 3:629.@@Fu Z, Yang H, Xiao Y, Zhao G, Huang H: The gamma-aminobutyric acid type B (GABAB) receptor agonist baclofen inhibits morphine sensitization by decreasing the dopamine level in rat nucleus accumbens. Behav Brain Funct. 2012 Jul 10;8:20. doi: 10.1186/1744-9081-8-20.@@Chen K, Li HZ, Ye N, Zhang J, Wang JJ: Role of GABAB receptors in GABA and baclofen-induced inhibition of adult rat cerebellar interpositus nucleus neurons in vitro. Brain Res Bull. 2005 Oct 30;67(4):310-8. doi: 10.1016/j.brainresbull.2005.07.004." Approved Gamma amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "GABA Agonists; GABA-B Receptor Agonists; Amino Acids, Peptides, and Proteins; Butyrates; Muscle Relaxants, Centrally Acting Agents; GABA Agents; Central Nervous System Depressants; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Agents Causing Muscle Toxicity; Amino Acids; Musculo-Skeletal System; Gaba-derivative Skeletal Muscle Relaxants; Aminobutyrates; Central Nervous System Agents; Neurotransmitter Agents; Muscle Relaxants, Peripherally Acting Agents; gamma-Aminobutyric Acid-ergic Agonist" NCC(CC(O)=O)C1=CC=C(Cl)C=C1 2104 46508181 D00241 PA448533 DAP000257 Baclofen CHEMBL701 1292 DB00182 Amphetamine BE0004872 ADRB1 P13945 ADRB3_HUMAN agonist 4399738; 6245760 "Leibowitz SF: Reciprocal hunger-regulating circuits involving alpha- and beta-adrenergic receptors located, respectively, in the ventromedial and lateral hypothalamus. Proc Natl Acad Sci U S A. 1970 Oct;67(2):1063-70.@@Reisine TD, U'Prichard DC, Wiech NL, Ursillo RC, Yamamura HI: Effects of combined administration of amphetamine and iprindole on brain adrenergic receptors. Brain Res. 1980 Apr 28;188(2):587-92." Approved; Illicit; Investigational Amphetamines and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines "Amines; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Benzene Derivatives; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulants; Autonomic Agents; Amphetamines; Dopamine Uptake Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Adrenergic Agents; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Peripheral Nervous System Agents; Centrally Acting Sympathomimetics; Cytochrome P-450 CYP2A6 Inhibitors (weak); Central Nervous System Agents; Catechols; Biogenic Monoamines; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Dopamine Agents" CC(N)CC1=CC=CC=C1 23170 46506414 D07445 PA448408 DAP001146 Amphetamine CHEMBL405 725 DB00184 Nicotine BE0000849 CHRNA4 P43681 ACHA4_HUMAN agonist 17590520; 17613539; 17226798; 17146052; 16636791; 19560048; 11006350; 20400469; 20081230 "Espeseth T, Endestad T, Rootwelt H, Reinvang I: Nicotine receptor gene CHRNA4 modulates early event-related potentials in auditory and visual oddball target detection tasks. Neuroscience. 2007 Jul 29;147(4):974-85. Epub 2007 Jun 27.@@Winterer G, Musso F, Konrad A, Vucurevic G, Stoeter P, Sander T, Gallinat J: Association of attentional network function with exon 5 variations of the CHRNA4 gene. Hum Mol Genet. 2007 Sep 15;16(18):2165-74. Epub 2007 Jul 5.@@Ehringer MA, Clegg HV, Collins AC, Corley RP, Crowley T, Hewitt JK, Hopfer CJ, Krauter K, Lessem J, Rhee SH, Schlaepfer I, Smolen A, Stallings MC, Young SE, Zeiger JS: Association of the neuronal nicotinic receptor beta2 subunit gene (CHRNB2) with subjective responses to alcohol and nicotine. Am J Med Genet B Neuropsychiatr Genet. 2007 Jul 5;144B(5):596-604.@@Klaassen A, Glykys J, Maguire J, Labarca C, Mody I, Boulter J: Seizures and enhanced cortical GABAergic inhibition in two mouse models of human autosomal dominant nocturnal frontal lobe epilepsy. Proc Natl Acad Sci U S A. 2006 Dec 12;103(50):19152-7. Epub 2006 Dec 4.@@De Luca V, Voineskos S, Wong G, Kennedy JL: Genetic interaction between alpha4 and beta2 subunits of high affinity nicotinic receptor: analysis in schizophrenia. Exp Brain Res. 2006 Sep;174(2):292-6. Epub 2006 Apr 25.@@Mansvelder HD, Mertz M, Role LW: Nicotinic modulation of synaptic transmission and plasticity in cortico-limbic circuits. Semin Cell Dev Biol. 2009 Jun;20(4):432-40. doi: 10.1016/j.semcdb.2009.01.007. Epub 2009 Jan 22.@@Narahashi T, Fenster CP, Quick MW, Lester RA, Marszalec W, Aistrup GL, Sattelle DB, Martin BR, Levin ED: Symposium overview: mechanism of action of nicotine on neuronal acetylcholine receptors, from molecule to behavior. Toxicol Sci. 2000 Oct;57(2):193-202.@@Jackson KJ, Marks MJ, Vann RE, Chen X, Gamage TF, Warner JA, Damaj MI: Role of alpha5 nicotinic acetylcholine receptors in pharmacological and behavioral effects of nicotine in mice. J Pharmacol Exp Ther. 2010 Jul;334(1):137-46. doi: 10.1124/jpet.110.165738. Epub 2010 Apr 16.@@Zaniewska M, Przegalinski E, Filip M: Nicotine dependence - human and animal studies, current pharmacotherapies and future perspectives. Pharmacol Rep. 2009 Nov-Dec;61(6):957-65." Approved Pyrrolidinylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines "OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP2E1 Inducers; Autonomic Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Solanaceous Alkaloids; Nicotine, antagonists & inhibitors; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Nicotinic Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Ganglionic Stimulants; Smoking Cessation Agents; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cholinergic Agonists; Cytochrome P-450 CYP2E1 Inhibitors; Drugs Used in Nicotine Dependence; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Ganglion Blockers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" CN1CCC[C@H]1C1=CN=CC=C1 Nicotine Action Pathway; Nicotine Metabolism Pathway drug_metabolism; drug_action 4365 46506924 D03365 PA450626 DAP000175 Nicotine CHEMBL3 31765 DB00184 Nicotine BE0003585 CHRNA3 P32297 ACHA3_HUMAN agonist 19560048; 11006350; 20400469; 20081230 "Mansvelder HD, Mertz M, Role LW: Nicotinic modulation of synaptic transmission and plasticity in cortico-limbic circuits. Semin Cell Dev Biol. 2009 Jun;20(4):432-40. doi: 10.1016/j.semcdb.2009.01.007. Epub 2009 Jan 22.@@Narahashi T, Fenster CP, Quick MW, Lester RA, Marszalec W, Aistrup GL, Sattelle DB, Martin BR, Levin ED: Symposium overview: mechanism of action of nicotine on neuronal acetylcholine receptors, from molecule to behavior. Toxicol Sci. 2000 Oct;57(2):193-202.@@Jackson KJ, Marks MJ, Vann RE, Chen X, Gamage TF, Warner JA, Damaj MI: Role of alpha5 nicotinic acetylcholine receptors in pharmacological and behavioral effects of nicotine in mice. J Pharmacol Exp Ther. 2010 Jul;334(1):137-46. doi: 10.1124/jpet.110.165738. Epub 2010 Apr 16.@@Zaniewska M, Przegalinski E, Filip M: Nicotine dependence - human and animal studies, current pharmacotherapies and future perspectives. Pharmacol Rep. 2009 Nov-Dec;61(6):957-65." Approved Pyrrolidinylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines "OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP2E1 Inducers; Autonomic Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Solanaceous Alkaloids; Nicotine, antagonists & inhibitors; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Nicotinic Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Ganglionic Stimulants; Smoking Cessation Agents; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cholinergic Agonists; Cytochrome P-450 CYP2E1 Inhibitors; Drugs Used in Nicotine Dependence; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Ganglion Blockers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" CN1CCC[C@H]1C1=CN=CC=C1 Nicotine Action Pathway; Nicotine Metabolism Pathway drug_metabolism; drug_action 4365 46506924 D03365 PA450626 DAP000175 Nicotine CHEMBL3 31765 DB00184 Nicotine BE0003586 CHRNA5 P30532 ACHA5_HUMAN agonist 19560048; 11006350; 20400469; 20081230 "Mansvelder HD, Mertz M, Role LW: Nicotinic modulation of synaptic transmission and plasticity in cortico-limbic circuits. Semin Cell Dev Biol. 2009 Jun;20(4):432-40. doi: 10.1016/j.semcdb.2009.01.007. Epub 2009 Jan 22.@@Narahashi T, Fenster CP, Quick MW, Lester RA, Marszalec W, Aistrup GL, Sattelle DB, Martin BR, Levin ED: Symposium overview: mechanism of action of nicotine on neuronal acetylcholine receptors, from molecule to behavior. Toxicol Sci. 2000 Oct;57(2):193-202.@@Jackson KJ, Marks MJ, Vann RE, Chen X, Gamage TF, Warner JA, Damaj MI: Role of alpha5 nicotinic acetylcholine receptors in pharmacological and behavioral effects of nicotine in mice. J Pharmacol Exp Ther. 2010 Jul;334(1):137-46. doi: 10.1124/jpet.110.165738. Epub 2010 Apr 16.@@Zaniewska M, Przegalinski E, Filip M: Nicotine dependence - human and animal studies, current pharmacotherapies and future perspectives. Pharmacol Rep. 2009 Nov-Dec;61(6):957-65." Approved Pyrrolidinylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines "OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP2E1 Inducers; Autonomic Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Solanaceous Alkaloids; Nicotine, antagonists & inhibitors; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Nicotinic Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Ganglionic Stimulants; Smoking Cessation Agents; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cholinergic Agonists; Cytochrome P-450 CYP2E1 Inhibitors; Drugs Used in Nicotine Dependence; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Ganglion Blockers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" CN1CCC[C@H]1C1=CN=CC=C1 Nicotine Action Pathway; Nicotine Metabolism Pathway drug_metabolism; drug_action 4365 46506924 D03365 PA450626 DAP000175 Nicotine CHEMBL3 31765 DB00184 Nicotine BE0003587 CHRNA6 Q15825 ACHA6_HUMAN agonist 19560048; 11006350; 20400469; 20081230 "Mansvelder HD, Mertz M, Role LW: Nicotinic modulation of synaptic transmission and plasticity in cortico-limbic circuits. Semin Cell Dev Biol. 2009 Jun;20(4):432-40. doi: 10.1016/j.semcdb.2009.01.007. Epub 2009 Jan 22.@@Narahashi T, Fenster CP, Quick MW, Lester RA, Marszalec W, Aistrup GL, Sattelle DB, Martin BR, Levin ED: Symposium overview: mechanism of action of nicotine on neuronal acetylcholine receptors, from molecule to behavior. Toxicol Sci. 2000 Oct;57(2):193-202.@@Jackson KJ, Marks MJ, Vann RE, Chen X, Gamage TF, Warner JA, Damaj MI: Role of alpha5 nicotinic acetylcholine receptors in pharmacological and behavioral effects of nicotine in mice. J Pharmacol Exp Ther. 2010 Jul;334(1):137-46. doi: 10.1124/jpet.110.165738. Epub 2010 Apr 16.@@Zaniewska M, Przegalinski E, Filip M: Nicotine dependence - human and animal studies, current pharmacotherapies and future perspectives. Pharmacol Rep. 2009 Nov-Dec;61(6):957-65." Approved Pyrrolidinylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines "OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP2E1 Inducers; Autonomic Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Solanaceous Alkaloids; Nicotine, antagonists & inhibitors; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Nicotinic Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Ganglionic Stimulants; Smoking Cessation Agents; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cholinergic Agonists; Cytochrome P-450 CYP2E1 Inhibitors; Drugs Used in Nicotine Dependence; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Ganglion Blockers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" CN1CCC[C@H]1C1=CN=CC=C1 Nicotine Action Pathway; Nicotine Metabolism Pathway drug_metabolism; drug_action 4365 46506924 D03365 PA450626 DAP000175 Nicotine CHEMBL3 31765 DB00184 Nicotine BE0002343 CHRNA9 Q9UGM1 ACHA9_HUMAN agonist 19560048; 11006350; 20400469; 20081230 "Mansvelder HD, Mertz M, Role LW: Nicotinic modulation of synaptic transmission and plasticity in cortico-limbic circuits. Semin Cell Dev Biol. 2009 Jun;20(4):432-40. doi: 10.1016/j.semcdb.2009.01.007. Epub 2009 Jan 22.@@Narahashi T, Fenster CP, Quick MW, Lester RA, Marszalec W, Aistrup GL, Sattelle DB, Martin BR, Levin ED: Symposium overview: mechanism of action of nicotine on neuronal acetylcholine receptors, from molecule to behavior. Toxicol Sci. 2000 Oct;57(2):193-202.@@Jackson KJ, Marks MJ, Vann RE, Chen X, Gamage TF, Warner JA, Damaj MI: Role of alpha5 nicotinic acetylcholine receptors in pharmacological and behavioral effects of nicotine in mice. J Pharmacol Exp Ther. 2010 Jul;334(1):137-46. doi: 10.1124/jpet.110.165738. Epub 2010 Apr 16.@@Zaniewska M, Przegalinski E, Filip M: Nicotine dependence - human and animal studies, current pharmacotherapies and future perspectives. Pharmacol Rep. 2009 Nov-Dec;61(6):957-65." Approved Pyrrolidinylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines "OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP2E1 Inducers; Autonomic Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Solanaceous Alkaloids; Nicotine, antagonists & inhibitors; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Nicotinic Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Ganglionic Stimulants; Smoking Cessation Agents; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cholinergic Agonists; Cytochrome P-450 CYP2E1 Inhibitors; Drugs Used in Nicotine Dependence; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Ganglion Blockers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" CN1CCC[C@H]1C1=CN=CC=C1 Nicotine Action Pathway; Nicotine Metabolism Pathway drug_metabolism; drug_action 4365 46506924 D03365 PA450626 DAP000175 Nicotine CHEMBL3 31765 DB00184 Nicotine BE0003588 CHRNB3 Q05901 ACHB3_HUMAN agonist 19560048; 11006350; 20400469; 20081230 "Mansvelder HD, Mertz M, Role LW: Nicotinic modulation of synaptic transmission and plasticity in cortico-limbic circuits. Semin Cell Dev Biol. 2009 Jun;20(4):432-40. doi: 10.1016/j.semcdb.2009.01.007. Epub 2009 Jan 22.@@Narahashi T, Fenster CP, Quick MW, Lester RA, Marszalec W, Aistrup GL, Sattelle DB, Martin BR, Levin ED: Symposium overview: mechanism of action of nicotine on neuronal acetylcholine receptors, from molecule to behavior. Toxicol Sci. 2000 Oct;57(2):193-202.@@Jackson KJ, Marks MJ, Vann RE, Chen X, Gamage TF, Warner JA, Damaj MI: Role of alpha5 nicotinic acetylcholine receptors in pharmacological and behavioral effects of nicotine in mice. J Pharmacol Exp Ther. 2010 Jul;334(1):137-46. doi: 10.1124/jpet.110.165738. Epub 2010 Apr 16.@@Zaniewska M, Przegalinski E, Filip M: Nicotine dependence - human and animal studies, current pharmacotherapies and future perspectives. Pharmacol Rep. 2009 Nov-Dec;61(6):957-65." Approved Pyrrolidinylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines "OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP2E1 Inducers; Autonomic Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Solanaceous Alkaloids; Nicotine, antagonists & inhibitors; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Nicotinic Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Ganglionic Stimulants; Smoking Cessation Agents; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cholinergic Agonists; Cytochrome P-450 CYP2E1 Inhibitors; Drugs Used in Nicotine Dependence; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Ganglion Blockers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" CN1CCC[C@H]1C1=CN=CC=C1 Nicotine Action Pathway; Nicotine Metabolism Pathway drug_metabolism; drug_action 4365 46506924 D03365 PA450626 DAP000175 Nicotine CHEMBL3 31765 DB00184 Nicotine BE0002090 CYP19A1 P11511 CP19A_HUMAN inhibitor 3711333 "Barbieri RL, Gochberg J, Ryan KJ: Nicotine, cotinine, and anabasine inhibit aromatase in human trophoblast in vitro. J Clin Invest. 1986 Jun;77(6):1727-33." Approved Pyrrolidinylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines "OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP2E1 Inducers; Autonomic Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Solanaceous Alkaloids; Nicotine, antagonists & inhibitors; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Nicotinic Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Ganglionic Stimulants; Smoking Cessation Agents; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cholinergic Agonists; Cytochrome P-450 CYP2E1 Inhibitors; Drugs Used in Nicotine Dependence; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Ganglion Blockers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" CN1CCC[C@H]1C1=CN=CC=C1 Nicotine Action Pathway; Nicotine Metabolism Pathway drug_metabolism; drug_action 4365 46506924 D03365 PA450626 DAP000175 Nicotine CHEMBL3 31765 DB00184 Nicotine BE0000519 CHAT P28329 CLAT_HUMAN inhibitor 13192619 "FAHMY AR, RYMAN BE, WALSH EO: The inhibition of choline acetylase by nicotine. J Pharm Pharmacol. 1954 Sep;6(9):607-9." Approved Pyrrolidinylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines "OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP2E1 Inducers; Autonomic Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Solanaceous Alkaloids; Nicotine, antagonists & inhibitors; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Nicotinic Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Ganglionic Stimulants; Smoking Cessation Agents; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cholinergic Agonists; Cytochrome P-450 CYP2E1 Inhibitors; Drugs Used in Nicotine Dependence; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Ganglion Blockers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" CN1CCC[C@H]1C1=CN=CC=C1 Nicotine Action Pathway; Nicotine Metabolism Pathway drug_metabolism; drug_action 4365 46506924 D03365 PA450626 DAP000175 Nicotine CHEMBL3 31765 DB00185 Cevimeline BE0000045 CHRM3 P20309 ACM3_HUMAN agonist 17139284; 17016423; 18450949; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Li X, Azlina A, Karabasil MR, Purwanti N, Hasegawa T, Yao C, Akamatsu T, Hosoi K: Degradation of submandibular gland AQP5 by parasympathetic denervation of chorda tympani and its recovery by cevimeline, an M3 muscarinic receptor agonist. Am J Physiol Gastrointest Liver Physiol. 2008 Jul;295(1):G112-G123. doi: 10.1152/ajpgi.00359.2007. Epub 2008 May 1.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Azaspirodecane derivatives Organic compounds; Organoheterocyclic compounds; Azaspirodecane derivatives Cholinergic Agonists; Parasympathomimetics; Muscarinic Agonists; Cholinergic Receptor Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Nervous System; Sulfur Compounds; Cholinergic Agents; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Autonomic Agents CC1O[C@@]2(CS1)CN1CCC2CC1 46507202 D00661 PA164754754 DAP000075 Cevimeline 44281 DB00186 Lorazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 29950725; 23038269 "Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27.@@Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4." Approved "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Cytochrome P-450 CYP3A Substrates; Gastrointestinal Agents; Autonomic Agents; Muscle Relaxants, Centrally Acting Agents; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Psycholeptics; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Antiemetics; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Anticonvulsants" OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Cl)=C2 2300 46508468 D00365 PA450267 DAP000237 Lorazepam CHEMBL580 6470 DB00188 Bortezomib BE0002348 PSMB5 P28074 PSB5_HUMAN inhibitor 15846363; 21247388 "Berkers CR, Verdoes M, Lichtman E, Fiebiger E, Kessler BM, Anderson KC, Ploegh HL, Ovaa H, Galardy PJ: Activity probe for in vivo profiling of the specificity of proteasome inhibitor bortezomib. Nat Methods. 2005 May;2(5):357-62. Epub 2005 Apr 21.@@Chen D, Frezza M, Schmitt S, Kanwar J, Dou QP: Bortezomib as the first proteasome inhibitor anticancer drug: current status and future perspectives. Curr Cancer Drug Targets. 2011 Mar;11(3):239-53. doi: 10.2174/156800911794519752." Approved; Investigational Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Myelosuppressive Agents; QTc Prolonging Agents; Acids; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Pyrazines; Hypotensive Agents; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Boron Compounds; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Boronic Acids; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Hepatotoxic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Proteasome Inhibitors; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Acids, Noncarboxylic" CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CN=CC=N1)B(O)O 13053 46508736 D03150 PA10252 DAP001318 Bortezomib CHEMBL325041 358258 DB00188 Bortezomib BE0002347 PSMB1 P20618 PSB1_HUMAN inhibitor 15846363; 21247388 "Berkers CR, Verdoes M, Lichtman E, Fiebiger E, Kessler BM, Anderson KC, Ploegh HL, Ovaa H, Galardy PJ: Activity probe for in vivo profiling of the specificity of proteasome inhibitor bortezomib. Nat Methods. 2005 May;2(5):357-62. Epub 2005 Apr 21.@@Chen D, Frezza M, Schmitt S, Kanwar J, Dou QP: Bortezomib as the first proteasome inhibitor anticancer drug: current status and future perspectives. Curr Cancer Drug Targets. 2011 Mar;11(3):239-53. doi: 10.2174/156800911794519752." Approved; Investigational Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Myelosuppressive Agents; QTc Prolonging Agents; Acids; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Pyrazines; Hypotensive Agents; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Boron Compounds; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Boronic Acids; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Hepatotoxic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Proteasome Inhibitors; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Acids, Noncarboxylic" CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CN=CC=N1)B(O)O 13053 46508736 D03150 PA10252 DAP001318 Bortezomib CHEMBL325041 358258 DB00193 Tramadol BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 10961373; 10991912; 1309873; 15509185; 16793069; 11752352; 17380034; 8955860; 31004280 "Gillen C, Haurand M, Kobelt DJ, Wnendt S: Affinity, potency and efficacy of tramadol and its metabolites at the cloned human mu-opioid receptor. Naunyn Schmiedebergs Arch Pharmacol. 2000 Aug;362(2):116-21.@@Potschka H, Friderichs E, Loscher W: Anticonvulsant and proconvulsant effects of tramadol, its enantiomers and its M1 metabolite in the rat kindling model of epilepsy. Br J Pharmacol. 2000 Sep;131(2):203-12.@@Raffa RB, Friderichs E, Reimann W, Shank RP, Codd EE, Vaught JL: Opioid and nonopioid components independently contribute to the mechanism of action of tramadol, an 'atypical' opioid analgesic. J Pharmacol Exp Ther. 1992 Jan;260(1):275-85.@@Grond S, Sablotzki A: Clinical pharmacology of tramadol. Clin Pharmacokinet. 2004;43(13):879-923.@@Ide S, Minami M, Ishihara K, Uhl GR, Sora I, Ikeda K: Mu opioid receptor-dependent and independent components in effects of tramadol. Neuropharmacology. 2006 Sep;51(3):651-8. Epub 2006 Jun 21.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Minami K, Uezono Y, Ueta Y: Pharmacological aspects of the effects of tramadol on G-protein coupled receptors. J Pharmacol Sci. 2007 Mar;103(3):253-60.@@Frink MC, Hennies HH, Englberger W, Haurand M, Wilffert B: Influence of tramadol on neurotransmitter systems of the rat brain. Arzneimittelforschung. 1996 Nov;46(11):1029-36.@@Barakat A: Revisiting Tramadol: A Multi-Modal Agent for Pain Management. CNS Drugs. 2019 May;33(5):481-501. doi: 10.1007/s40263-019-00623-5." Approved; Investigational Sensory System Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin Receptor Antagonists; Cyclohexanols; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alcohols; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; Dimethylamines; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Central Nervous System Agents; UGT1A1 Substrates; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Opioids COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C Tramadol Metabolism Pathway; Tramadol Action Action Pathway drug_metabolism; drug_action 13904 46506256 D08623 PA451735 DAP000140 Tramadol CHEMBL1237044 10689 DB00193 Tramadol BE0002081 SCN2A Q99250 SCN2A_HUMAN inhibitor 16949748; 31004280 "Haeseler G, Foadi N, Ahrens J, Dengler R, Hecker H, Leuwer M: Tramadol, fentanyl and sufentanil but not morphine block voltage-operated sodium channels. Pain. 2006 Dec 15;126(1-3):234-44. doi: 10.1016/j.pain.2006.07.003. Epub 2006 Sep 1.@@Barakat A: Revisiting Tramadol: A Multi-Modal Agent for Pain Management. CNS Drugs. 2019 May;33(5):481-501. doi: 10.1007/s40263-019-00623-5." Approved; Investigational Sensory System Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin Receptor Antagonists; Cyclohexanols; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alcohols; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; Dimethylamines; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Central Nervous System Agents; UGT1A1 Substrates; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Opioids COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C Tramadol Metabolism Pathway; Tramadol Action Action Pathway drug_metabolism; drug_action 13904 46506256 D08623 PA451735 DAP000140 Tramadol CHEMBL1237044 10689 DB00193 Tramadol BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 15105221; 16679816 "Ogata J, Minami K, Uezono Y, Okamoto T, Shiraishi M, Shigematsu A, Ueta Y: The inhibitory effects of tramadol on 5-hydroxytryptamine type 2C receptors expressed in Xenopus oocytes. Anesth Analg. 2004 May;98(5):1401-6, table of contents.@@Horishita T, Minami K, Uezono Y, Shiraishi M, Ogata J, Okamoto T, Shigematsu A: The tramadol metabolite, O-desmethyl tramadol, inhibits 5-hydroxytryptamine type 2C receptors expressed in Xenopus Oocytes. Pharmacology. 2006;77(2):93-9. Epub 2006 May 5." Approved; Investigational Sensory System Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin Receptor Antagonists; Cyclohexanols; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alcohols; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; Dimethylamines; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Central Nervous System Agents; UGT1A1 Substrates; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Opioids COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C Tramadol Metabolism Pathway; Tramadol Action Action Pathway drug_metabolism; drug_action 13904 46506256 D08623 PA451735 DAP000140 Tramadol CHEMBL1237044 10689 DB00193 Tramadol BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 19027293; 31004280 "Wentland MP, Lou R, Lu Q, Bu Y, VanAlstine MA, Cohen DJ, Bidlack JM: Syntheses and opioid receptor binding properties of carboxamido-substituted opioids. Bioorg Med Chem Lett. 2009 Jan 1;19(1):203-8. doi: 10.1016/j.bmcl.2008.10.134. Epub 2008 Nov 7.@@Barakat A: Revisiting Tramadol: A Multi-Modal Agent for Pain Management. CNS Drugs. 2019 May;33(5):481-501. doi: 10.1007/s40263-019-00623-5." Approved; Investigational Sensory System Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin Receptor Antagonists; Cyclohexanols; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alcohols; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; Dimethylamines; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Central Nervous System Agents; UGT1A1 Substrates; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Opioids COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C Tramadol Metabolism Pathway; Tramadol Action Action Pathway drug_metabolism; drug_action 13904 46506256 D08623 PA451735 DAP000140 Tramadol CHEMBL1237044 10689 DB00193 Tramadol BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 11561087; 12401609; 31004280 "Shiraishi M, Minami K, Uezono Y, Yanagihara N, Shigematsu A: Inhibition by tramadol of muscarinic receptor-induced responses in cultured adrenal medullary cells and in Xenopus laevis oocytes expressing cloned M1 receptors. J Pharmacol Exp Ther. 2001 Oct;299(1):255-60.@@Shiga Y, Minami K, Shiraishi M, Uezono Y, Murasaki O, Kaibara M, Shigematsu A: The inhibitory effects of tramadol on muscarinic receptor-induced responses in Xenopus oocytes expressing cloned M(3) receptors. Anesth Analg. 2002 Nov;95(5):1269-73, table of contents.@@Barakat A: Revisiting Tramadol: A Multi-Modal Agent for Pain Management. CNS Drugs. 2019 May;33(5):481-501. doi: 10.1007/s40263-019-00623-5." Approved; Investigational Sensory System Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin Receptor Antagonists; Cyclohexanols; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alcohols; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; Dimethylamines; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Central Nervous System Agents; UGT1A1 Substrates; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Opioids COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C Tramadol Metabolism Pathway; Tramadol Action Action Pathway drug_metabolism; drug_action 13904 46506256 D08623 PA451735 DAP000140 Tramadol CHEMBL1237044 10689 DB00193 Tramadol BE0000384 TACR1 P25103 NK1R_HUMAN inhibitor 31004280 Barakat A: Revisiting Tramadol: A Multi-Modal Agent for Pain Management. CNS Drugs. 2019 May;33(5):481-501. doi: 10.1007/s40263-019-00623-5. Approved; Investigational Sensory System Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin Receptor Antagonists; Cyclohexanols; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alcohols; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; Dimethylamines; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Central Nervous System Agents; UGT1A1 Substrates; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Opioids COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C Tramadol Metabolism Pathway; Tramadol Action Action Pathway drug_metabolism; drug_action 13904 46506256 D08623 PA451735 DAP000140 Tramadol CHEMBL1237044 10689 DB00197 Troglitazone BE0000215 PPARG P37231 PPARG_HUMAN agonist 10076568; 10097144; 10200320; 10214942; 10222233; 11752352; 12475986; 11278336 "Kitamura S, Miyazaki Y, Shinomura Y, Kondo S, Kanayama S, Matsuzawa Y: Peroxisome proliferator-activated receptor gamma induces growth arrest and differentiation markers of human colon cancer cells. Jpn J Cancer Res. 1999 Jan;90(1):75-80.@@Demetri GD, Fletcher CD, Mueller E, Sarraf P, Naujoks R, Campbell N, Spiegelman BM, Singer S: Induction of solid tumor differentiation by the peroxisome proliferator-activated receptor-gamma ligand troglitazone in patients with liposarcoma. Proc Natl Acad Sci U S A. 1999 Mar 30;96(7):3951-6.@@Petrova TV, Akama KT, Van Eldik LJ: Cyclopentenone prostaglandins suppress activation of microglia: down-regulation of inducible nitric-oxide synthase by 15-deoxy-Delta12,14-prostaglandin J2. Proc Natl Acad Sci U S A. 1999 Apr 13;96(8):4668-73.@@Camp HS, Whitton AL, Tafuri SR: PPARgamma activators down-regulate the expression of PPARgamma in 3T3-L1 adipocytes. FEBS Lett. 1999 Mar 26;447(2-3):186-90.@@Satoh T, Furuta K, Suzuki M, Watanabe Y: Prostaglandin J2 and its metabolites promote neurite outgrowth induced by nerve growth factor in PC12 cells. Biochem Biophys Res Commun. 1999 Apr 29;258(1):50-3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Baek SJ, Wilson LC, Hsi LC, Eling TE: Troglitazone, a peroxisome proliferator-activated receptor gamma (PPAR gamma ) ligand, selectively induces the early growth response-1 gene independently of PPAR gamma. A novel mechanism for its anti-tumorigenic activity. J Biol Chem. 2003 Feb 21;278(8):5845-53. Epub 2002 Dec 9.@@Subbaramaiah K, Lin DT, Hart JC, Dannenberg AJ: Peroxisome proliferator-activated receptor gamma ligands suppress the transcriptional activation of cyclooxygenase-2. Evidence for involvement of activator protein-1 and CREB-binding protein/p300. J Biol Chem. 2001 Apr 13;276(15):12440-8. Epub 2001 Jan 23." Approved; Investigational; Withdrawn 1-benzopyrans Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT1A6 Inhibitors; UGT2B7 substrates; Benzopyrans; Thiazolidinediones; Cytochrome P-450 CYP3A5 Inhibitors; Pyrans; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Chromans; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A4 substrates; BSEP/ABCB11 Inhibitors; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; UGT1A6 substrate" CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O 46504655 D00395 PA451799 DAP001337 Troglitazone CHEMBL408 72610 DB00197 Troglitazone BE0002088 ESRRG P62508 ERR3_HUMAN inverse agonist 20298676 "Wang Y, Fang F, Wong CW: Troglitazone is an estrogen-related receptor alpha and gamma inverse agonist. Biochem Pharmacol. 2010 Jul 1;80(1):80-5. doi: 10.1016/j.bcp.2010.03.013. Epub 2010 Mar 16." Approved; Investigational; Withdrawn 1-benzopyrans Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT1A6 Inhibitors; UGT2B7 substrates; Benzopyrans; Thiazolidinediones; Cytochrome P-450 CYP3A5 Inhibitors; Pyrans; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Chromans; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A4 substrates; BSEP/ABCB11 Inhibitors; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; UGT1A6 substrate" CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O 46504655 D00395 PA451799 DAP001337 Troglitazone CHEMBL408 72610 DB00197 Troglitazone BE0003722 ESRRA P11474 ERR1_HUMAN inverse agonist 20298676 "Wang Y, Fang F, Wong CW: Troglitazone is an estrogen-related receptor alpha and gamma inverse agonist. Biochem Pharmacol. 2010 Jul 1;80(1):80-5. doi: 10.1016/j.bcp.2010.03.013. Epub 2010 Mar 16." Approved; Investigational; Withdrawn 1-benzopyrans Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT1A6 Inhibitors; UGT2B7 substrates; Benzopyrans; Thiazolidinediones; Cytochrome P-450 CYP3A5 Inhibitors; Pyrans; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Chromans; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A4 substrates; BSEP/ABCB11 Inhibitors; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; UGT1A6 substrate" CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O 46504655 D00395 PA451799 DAP001337 Troglitazone CHEMBL408 72610 DB00197 Troglitazone BE0001007 PPARD Q03181 PPARD_HUMAN 11779144 "Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9." Approved; Investigational; Withdrawn 1-benzopyrans Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT1A6 Inhibitors; UGT2B7 substrates; Benzopyrans; Thiazolidinediones; Cytochrome P-450 CYP3A5 Inhibitors; Pyrans; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Chromans; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A4 substrates; BSEP/ABCB11 Inhibitors; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; UGT1A6 substrate" CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O 46504655 D00395 PA451799 DAP001337 Troglitazone CHEMBL408 72610 DB00197 Troglitazone BE0000071 PPARA Q07869 PPARA_HUMAN 11779144 "Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9." Approved; Investigational; Withdrawn 1-benzopyrans Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT1A6 Inhibitors; UGT2B7 substrates; Benzopyrans; Thiazolidinediones; Cytochrome P-450 CYP3A5 Inhibitors; Pyrans; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Chromans; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A4 substrates; BSEP/ABCB11 Inhibitors; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; UGT1A6 substrate" CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O 46504655 D00395 PA451799 DAP001337 Troglitazone CHEMBL408 72610 DB00197 Troglitazone BE0000996 ACSL4 O60488 ACSL4_HUMAN inhibitor 11319222; 12147264; 11319232 "Kim JH, Lewin TM, Coleman RA: Expression and characterization of recombinant rat Acyl-CoA synthetases 1, 4, and 5. Selective inhibition by triacsin C and thiazolidinediones. J Biol Chem. 2001 Jul 6;276(27):24667-73. Epub 2001 Apr 23.@@Lewin TM, Van Horn CG, Krisans SK, Coleman RA: Rat liver acyl-CoA synthetase 4 is a peripheral-membrane protein located in two distinct subcellular organelles, peroxisomes, and mitochondrial-associated membrane. Arch Biochem Biophys. 2002 Aug 15;404(2):263-70.@@Lewin TM, Kim JH, Granger DA, Vance JE, Coleman RA: Acyl-CoA synthetase isoforms 1, 4, and 5 are present in different subcellular membranes in rat liver and can be inhibited independently. J Biol Chem. 2001 Jul 6;276(27):24674-9. Epub 2001 Apr 23." Approved; Investigational; Withdrawn 1-benzopyrans Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT1A6 Inhibitors; UGT2B7 substrates; Benzopyrans; Thiazolidinediones; Cytochrome P-450 CYP3A5 Inhibitors; Pyrans; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Chromans; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A4 substrates; BSEP/ABCB11 Inhibitors; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; UGT1A6 substrate" CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O 46504655 D00395 PA451799 DAP001337 Troglitazone CHEMBL408 72610 DB00200 Hydroxocobalamin BE0000734 MTR Q99707 METH_HUMAN cofactor 1744096; 9587031; 18565; 7599160; 3812589 "Kolhouse JF, Utley C, Stabler SP, Allen RH: Mechanism of conversion of human apo- to holomethionine synthase by various forms of cobalamin. J Biol Chem. 1991 Dec 5;266(34):23010-5.@@Ogier de Baulny H, Gerard M, Saudubray JM, Zittoun J: Remethylation defects: guidelines for clinical diagnosis and treatment. Eur J Pediatr. 1998 Apr;157 Suppl 2:S77-83.@@Tkachuck RD, Weinstein PP, Mueller JF: Metabolic fate of cyanocobalamin taken up by Spirometra mansonoides spargana. J Parasitol. 1977 Aug;63(4):694-700.@@Quadros EV, Jacobsen DW: The dynamics of cobalamin utilization in L-1210 mouse leukemia cells: a model of cellular cobalamin metabolism. Biochim Biophys Acta. 1995 Jun 9;1244(2-3):395-403.@@Rosenblatt DS, Thomas IT, Watkins D, Cooper BA, Erbe RW: Vitamin B12 responsive homocystinuria and megaloblastic anemia: heterogeneity in methylcobalamin deficiency. Am J Med Genet. 1987 Feb;26(2):377-83." Approved Cobalamin derivatives Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids "Vitamins; Corrinoids; Antidotes; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Blood and Blood Forming Organs; Hematinics; Hematologic Agents; Nutritional Support; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients" [N+]1=2[Co-3]345([N+]6=C7[C@H]([C@@](CC(=O)N)(C)[C@@]6([C@@]6(N3C(=C(C)C3=[N+]4C(C(C)(C)[C@@H]3CCC(=O)N)=CC3=[N+]5C(=C7C)[C@@](CC(=O)N)([C@@H]3CCC(=O)N)C)[C@@](C)([C@H]6CC(=O)N)CCC(NC[C@@H](C)OP(=O)(O[C@@H]3[C@H](O[C@H](N(C4=CC(=C(C=C14)C)C)C=2)[C@@H]3O)CO)[O-])=O)[H])C)CCC(=O)N)O[H] 4971 46505751 D01027 PA164768689 DAP001336 Hydroxocobalamin CHEMBL2103737 5514 DB00200 Hydroxocobalamin BE0000777 MUT P22033 MUTA_HUMAN cofactor 36882; 11955068; 8741039; 18565; 7599160; 11752352 "Willard HF, Rosenberg LE: Inborn errors of cobalamin metabolism: effect of cobalamin supplementation in culture on methylmalonyl CoA mutase activity in normal and mutant human fibroblasts. Biochem Genet. 1979 Feb;17(1-2):57-75.@@Dayem LC, Carney JR, Santi DV, Pfeifer BA, Khosla C, Kealey JT: Metabolic engineering of a methylmalonyl-CoA mutase-epimerase pathway for complex polyketide biosynthesis in Escherichia coli. Biochemistry. 2002 Apr 23;41(16):5193-201.@@Mayatepek E, Hoffmann GF, Baumgartner R, Schulze A, Jakobs C, Trefz FK, Bremer HJ: Atypical vitamin B12-unresponsive methylmalonic aciduria in sibship with severe progressive encephalomyelopathy: a new genetic disease? Eur J Pediatr. 1996 May;155(5):398-403.@@Tkachuck RD, Weinstein PP, Mueller JF: Metabolic fate of cyanocobalamin taken up by Spirometra mansonoides spargana. J Parasitol. 1977 Aug;63(4):694-700.@@Quadros EV, Jacobsen DW: The dynamics of cobalamin utilization in L-1210 mouse leukemia cells: a model of cellular cobalamin metabolism. Biochim Biophys Acta. 1995 Jun 9;1244(2-3):395-403.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Cobalamin derivatives Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids "Vitamins; Corrinoids; Antidotes; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Blood and Blood Forming Organs; Hematinics; Hematologic Agents; Nutritional Support; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients" [N+]1=2[Co-3]345([N+]6=C7[C@H]([C@@](CC(=O)N)(C)[C@@]6([C@@]6(N3C(=C(C)C3=[N+]4C(C(C)(C)[C@@H]3CCC(=O)N)=CC3=[N+]5C(=C7C)[C@@](CC(=O)N)([C@@H]3CCC(=O)N)C)[C@@](C)([C@H]6CC(=O)N)CCC(NC[C@@H](C)OP(=O)(O[C@@H]3[C@H](O[C@H](N(C4=CC(=C(C=C14)C)C)C=2)[C@@H]3O)CO)[O-])=O)[H])C)CCC(=O)N)O[H] 4971 46505751 D01027 PA164768689 DAP001336 Hydroxocobalamin CHEMBL2103737 5514 DB00200 Hydroxocobalamin BE0000320 MMAA Q8IVH4 MMAA_HUMAN other/unknown 20301409 "Manoli I, Sloan JL, Venditti CP: Isolated Methylmalonic Acidemia ." Approved Cobalamin derivatives Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids "Vitamins; Corrinoids; Antidotes; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Blood and Blood Forming Organs; Hematinics; Hematologic Agents; Nutritional Support; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients" [N+]1=2[Co-3]345([N+]6=C7[C@H]([C@@](CC(=O)N)(C)[C@@]6([C@@]6(N3C(=C(C)C3=[N+]4C(C(C)(C)[C@@H]3CCC(=O)N)=CC3=[N+]5C(=C7C)[C@@](CC(=O)N)([C@@H]3CCC(=O)N)C)[C@@](C)([C@H]6CC(=O)N)CCC(NC[C@@H](C)OP(=O)(O[C@@H]3[C@H](O[C@H](N(C4=CC(=C(C=C14)C)C)C=2)[C@@H]3O)CO)[O-])=O)[H])C)CCC(=O)N)O[H] 4971 46505751 D01027 PA164768689 DAP001336 Hydroxocobalamin CHEMBL2103737 5514 DB00200 Hydroxocobalamin BE0000936 CUBN O60494 CUBN_HUMAN other 17139284; 17016423; 14585166 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Seetharam B, Yammani RR: Cobalamin transport proteins and their cell-surface receptors. Expert Rev Mol Med. 2003 Jun 13;5(18):1-18." Approved Cobalamin derivatives Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids "Vitamins; Corrinoids; Antidotes; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Blood and Blood Forming Organs; Hematinics; Hematologic Agents; Nutritional Support; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients" [N+]1=2[Co-3]345([N+]6=C7[C@H]([C@@](CC(=O)N)(C)[C@@]6([C@@]6(N3C(=C(C)C3=[N+]4C(C(C)(C)[C@@H]3CCC(=O)N)=CC3=[N+]5C(=C7C)[C@@](CC(=O)N)([C@@H]3CCC(=O)N)C)[C@@](C)([C@H]6CC(=O)N)CCC(NC[C@@H](C)OP(=O)(O[C@@H]3[C@H](O[C@H](N(C4=CC(=C(C=C14)C)C)C=2)[C@@H]3O)CO)[O-])=O)[H])C)CCC(=O)N)O[H] 4971 46505751 D01027 PA164768689 DAP001336 Hydroxocobalamin CHEMBL2103737 5514 DB00200 Hydroxocobalamin BE0002175 MMACHC Q9Y4U1 MMAC_HUMAN other/unknown 17139284; 17016423; 16311595 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lerner-Ellis JP, Tirone JC, Pawelek PD, Dore C, Atkinson JL, Watkins D, Morel CF, Fujiwara TM, Moras E, Hosack AR, Dunbar GV, Antonicka H, Forgetta V, Dobson CM, Leclerc D, Gravel RA, Shoubridge EA, Coulton JW, Lepage P, Rommens JM, Morgan K, Rosenblatt DS: Identification of the gene responsible for methylmalonic aciduria and homocystinuria, cblC type. Nat Genet. 2006 Jan;38(1):93-100. Epub 2005 Nov 27." Approved Cobalamin derivatives Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids "Vitamins; Corrinoids; Antidotes; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Blood and Blood Forming Organs; Hematinics; Hematologic Agents; Nutritional Support; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients" [N+]1=2[Co-3]345([N+]6=C7[C@H]([C@@](CC(=O)N)(C)[C@@]6([C@@]6(N3C(=C(C)C3=[N+]4C(C(C)(C)[C@@H]3CCC(=O)N)=CC3=[N+]5C(=C7C)[C@@](CC(=O)N)([C@@H]3CCC(=O)N)C)[C@@](C)([C@H]6CC(=O)N)CCC(NC[C@@H](C)OP(=O)(O[C@@H]3[C@H](O[C@H](N(C4=CC(=C(C=C14)C)C)C=2)[C@@H]3O)CO)[O-])=O)[H])C)CCC(=O)N)O[H] 4971 46505751 D01027 PA164768689 DAP001336 Hydroxocobalamin CHEMBL2103737 5514 DB00201 Caffeine BE0000924 ADORA2A P29274 AA2AR_HUMAN antagonist 17558310; 17577101; 17616786; 11752352 "Riksen NP, Franke B, van den Broek P, Smits P, Rongen GA: The 1976C>T polymorphism in the adenosine A2A receptor gene does not affect the vasodilator response to adenosine in humans in vivo. Pharmacogenet Genomics. 2007 Jul;17(7):551-4.@@Zhao G, Messina E, Xu X, Ochoa M, Sun HL, Leung K, Shryock J, Belardinelli L, Hintze TH: Caffeine attenuates the duration of coronary vasodilation and changes in hemodynamics induced by regadenoson (CVT-3146), a novel adenosine A2A receptor agonist. J Cardiovasc Pharmacol. 2007 Jun;49(6):369-75.@@Cornelis MC, El-Sohemy A, Campos H: Genetic polymorphism of the adenosine A2A receptor is associated with habitual caffeine consumption. Am J Clin Nutr. 2007 Jul;86(1):240-4.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists" CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine Metabolism metabolic 9357 46506408 D00528 PA448710 DAP000099 Caffeine CHEMBL113 1886 DB00201 Caffeine BE0000241 ADORA2B P29275 AA2BR_HUMAN antagonist 20164566 "Ribeiro JA, Sebastiao AM: Caffeine and adenosine. J Alzheimers Dis. 2010;20 Suppl 1:S3-15. doi: 10.3233/JAD-2010-1379." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists" CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine Metabolism metabolic 9357 46506408 D00528 PA448710 DAP000099 Caffeine CHEMBL113 1886 DB00201 Caffeine BE0009789 PDE1B O76074 PDE5A_HUMAN inhibitor 16402111; 7689104 "Boswell-Smith V, Spina D, Page CP: Phosphodiesterase inhibitors. Br J Pharmacol. 2006 Jan;147 Suppl 1:S252-7. doi: 10.1038/sj.bjp.0706495.@@Howell LL: Comparative effects of caffeine and selective phosphodiesterase inhibitors on respiration and behavior in rhesus monkeys. J Pharmacol Exp Ther. 1993 Aug;266(2):894-903." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists" CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine Metabolism metabolic 9357 46506408 D00528 PA448710 DAP000099 Caffeine CHEMBL113 1886 DB00201 Caffeine BE0000487 PDE4B Q07343 PDE4B_HUMAN inhibitor 17139284; 17016423; 17514358 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Daly JW: Caffeine analogs: biomedical impact. Cell Mol Life Sci. 2007 Aug;64(16):2153-69." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists" CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine Metabolism metabolic 9357 46506408 D00528 PA448710 DAP000099 Caffeine CHEMBL113 1886 DB00201 Caffeine BE0000739 RYR1 P21817 RYR1_HUMAN 17514358 Daly JW: Caffeine analogs: biomedical impact. Cell Mol Life Sci. 2007 Aug;64(16):2153-69. Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists" CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine Metabolism metabolic 9357 46506408 D00528 PA448710 DAP000099 Caffeine CHEMBL113 1886 DB00201 Caffeine BE0004922 PDE1A P35913 PDE6B_HUMAN inhibitor 20164566; 11692087 "Ribeiro JA, Sebastiao AM: Caffeine and adenosine. J Alzheimers Dis. 2010;20 Suppl 1:S3-15. doi: 10.3233/JAD-2010-1379.@@Essayan DM: Cyclic nucleotide phosphodiesterases. J Allergy Clin Immunol. 2001 Nov;108(5):671-80." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists" CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine Metabolism metabolic 9357 46506408 D00528 PA448710 DAP000099 Caffeine CHEMBL113 1886 DB00201 Caffeine BE0002385 PRKDC P78527 PRKDC_HUMAN inhibitor 12145276 "Foukas LC, Daniele N, Ktori C, Anderson KE, Jensen J, Shepherd PR: Direct effects of caffeine and theophylline on p110 delta and other phosphoinositide 3-kinases. Differential effects on lipid kinase and protein kinase activities. J Biol Chem. 2002 Oct 4;277(40):37124-30. Epub 2002 Jul 26." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists" CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine Metabolism metabolic 9357 46506408 D00528 PA448710 DAP000099 Caffeine CHEMBL113 1886 DB00201 Caffeine BE0002406 PIK3CD O00329 PK3CD_HUMAN inhibitor 12145276 "Foukas LC, Daniele N, Ktori C, Anderson KE, Jensen J, Shepherd PR: Direct effects of caffeine and theophylline on p110 delta and other phosphoinositide 3-kinases. Differential effects on lipid kinase and protein kinase activities. J Biol Chem. 2002 Oct 4;277(40):37124-30. Epub 2002 Jul 26." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists" CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine Metabolism metabolic 9357 46506408 D00528 PA448710 DAP000099 Caffeine CHEMBL113 1886 DB00201 Caffeine BE0002379 PIK3CA P42336 PK3CA_HUMAN inhibitor 12145276 "Foukas LC, Daniele N, Ktori C, Anderson KE, Jensen J, Shepherd PR: Direct effects of caffeine and theophylline on p110 delta and other phosphoinositide 3-kinases. Differential effects on lipid kinase and protein kinase activities. J Biol Chem. 2002 Oct 4;277(40):37124-30. Epub 2002 Jul 26." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists" CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine Metabolism metabolic 9357 46506408 D00528 PA448710 DAP000099 Caffeine CHEMBL113 1886 DB00201 Caffeine BE0002407 PIK3CB P42338 PK3CB_HUMAN inhibitor 12145276 "Foukas LC, Daniele N, Ktori C, Anderson KE, Jensen J, Shepherd PR: Direct effects of caffeine and theophylline on p110 delta and other phosphoinositide 3-kinases. Differential effects on lipid kinase and protein kinase activities. J Biol Chem. 2002 Oct 4;277(40):37124-30. Epub 2002 Jul 26." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists" CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine Metabolism metabolic 9357 46506408 D00528 PA448710 DAP000099 Caffeine CHEMBL113 1886 DB00201 Caffeine BE0004914 ITPR1 Q14573 ITPR3_HUMAN inhibitor 1844813 "Parker I, Ivorra I: Caffeine inhibits inositol trisphosphate-mediated liberation of intracellular calcium in Xenopus oocytes. J Physiol. 1991 Feb;433:229-40." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists" CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine Metabolism metabolic 9357 46506408 D00528 PA448710 DAP000099 Caffeine CHEMBL113 1886 DB00201 Caffeine BE0004874 ATM Q13315 ATM_HUMAN inhibitor 10485486; 10531013 "Sarkaria JN, Busby EC, Tibbetts RS, Roos P, Taya Y, Karnitz LM, Abraham RT: Inhibition of ATM and ATR kinase activities by the radiosensitizing agent, caffeine. Cancer Res. 1999 Sep 1;59(17):4375-82.@@Blasina A, Price BD, Turenne GA, McGowan CH: Caffeine inhibits the checkpoint kinase ATM. Curr Biol. 1999 Oct 7;9(19):1135-8." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists" CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine Metabolism metabolic 9357 46506408 D00528 PA448710 DAP000099 Caffeine CHEMBL113 1886 DB00202 Succinylcholine BE0000560 CHRM2 P08172 ACM2_HUMAN agonist 9523819 "Hou VY, Hirshman CA, Emala CW: Neuromuscular relaxants as antagonists for M2 and M3 muscarinic receptors. Anesthesiology. 1998 Mar;88(3):744-50." Approved Acyl cholines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts "Nitrogen Compounds; Quaternary Ammonium Compounds; Succinates; Amines; Trimethyl Ammonium Compounds; Neuromuscular Depolarizing Agents; Neuromuscular Blocking Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Muscle Relaxants; Musculo-Skeletal System; Dicarboxylic Acids; Onium Compounds; Acids, Acyclic; Peripheral Nervous System Agents; Neurotoxic agents; Neuromuscular Depolarizing Blockade; Neuromuscular Agents; Cholinesterase substrates; Ammonium Compounds; Ethanolamines; Muscle Relaxants, Peripherally Acting Agents; Choline Derivatives" C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C 8833 46506023 PA451522 DAP001132 Suxamethonium_chloride CHEMBL703 10154 DB00202 Succinylcholine BE0000045 CHRM3 P20309 ACM3_HUMAN agonist 9523819 "Hou VY, Hirshman CA, Emala CW: Neuromuscular relaxants as antagonists for M2 and M3 muscarinic receptors. Anesthesiology. 1998 Mar;88(3):744-50." Approved Acyl cholines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts "Nitrogen Compounds; Quaternary Ammonium Compounds; Succinates; Amines; Trimethyl Ammonium Compounds; Neuromuscular Depolarizing Agents; Neuromuscular Blocking Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Muscle Relaxants; Musculo-Skeletal System; Dicarboxylic Acids; Onium Compounds; Acids, Acyclic; Peripheral Nervous System Agents; Neurotoxic agents; Neuromuscular Depolarizing Blockade; Neuromuscular Agents; Cholinesterase substrates; Ammonium Compounds; Ethanolamines; Muscle Relaxants, Peripherally Acting Agents; Choline Derivatives" C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C 8833 46506023 PA451522 DAP001132 Suxamethonium_chloride CHEMBL703 10154 DB00203 Sildenafil BE0000182 PDE5A O76074 PDE5A_HUMAN inhibitor 12614192; 11752352; 12414329; 12477710; 12554648; 16735511; 17959709; 12567500; 17979301 "Carson CC: Long-term use of sildenafil. Expert Opin Pharmacother. 2003 Mar;4(3):397-405.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Corbin JD, Francis SH, Webb DJ: Phosphodiesterase type 5 as a pharmacologic target in erectile dysfunction. Urology. 2002 Sep;60(2 Suppl 2):4-11.@@Kruuse C, Thomsen LL, Birk S, Olesen J: Migraine can be induced by sildenafil without changes in middle cerebral artery diameter. Brain. 2003 Jan;126(Pt 1):241-7.@@Rybalkin SD, Rybalkina IG, Shimizu-Albergine M, Tang XB, Beavo JA: PDE5 is converted to an activated state upon cGMP binding to the GAF A domain. EMBO J. 2003 Feb 3;22(3):469-78.@@Wang H, Liu Y, Huai Q, Cai J, Zoraghi R, Francis SH, Corbin JD, Robinson H, Xin Z, Lin G, Ke H: Multiple conformations of phosphodiesterase-5: implications for enzyme function and drug development. J Biol Chem. 2006 Jul 28;281(30):21469-79. Epub 2006 May 30.@@Wang H, Ye M, Robinson H, Francis SH, Ke H: Conformational variations of both phosphodiesterase-5 and inhibitors provide the structural basis for the physiological effects of vardenafil and sildenafil. Mol Pharmacol. 2008 Jan;73(1):104-10. Epub 2007 Oct 24.@@Wang J, Re J, Wang Z: [Mode of action of sildenafil]. Zhongguo Yi Xue Ke Xue Yuan Xue Bao. 1999 Dec;21(6):493-6.@@Zoraghi R, Francis SH, Corbin JD: Critical amino acids in phosphodiesterase-5 catalytic site that provide for high-affinity interaction with cyclic guanosine monophosphate and inhibitors. Biochemistry. 2007 Nov 27;46(47):13554-63. Epub 2007 Nov 3." Approved; Investigational Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides "OATP1B1/SLCO1B1 Inhibitors; Purines; Piperazines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Urological Agents; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Sulfonamides; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; Urologicals; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Phosphodiesterase 5 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates; Drugs Used in Erectile Dysfunction" CCCC1=NN(C)C2=C1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1 11854 46508371 D08514 PA451346 DAP000614 Sildenafil CHEMBL192 136411 DB00203 Sildenafil BE0003556 PDE6G P18545 CNRG_HUMAN inhibitor 16815627 "Uckert S, Hedlund P, Andersson KE, Truss MC, Jonas U, Stief CG: Update on phosphodiesterase (PDE) isoenzymes as pharmacologic targets in urology: present and future. Eur Urol. 2006 Dec;50(6):1194-207; discussion 1207. Epub 2006 Jun 6." Approved; Investigational Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides "OATP1B1/SLCO1B1 Inhibitors; Purines; Piperazines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Urological Agents; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Sulfonamides; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; Urologicals; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Phosphodiesterase 5 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates; Drugs Used in Erectile Dysfunction" CCCC1=NN(C)C2=C1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1 11854 46508371 D08514 PA451346 DAP000614 Sildenafil CHEMBL192 136411 DB00203 Sildenafil BE0000404 ODC1 P11926 DCOR_HUMAN downregulator 28812434 "Booth L, Roberts JL, Poklepovic A, Dent P: [pemetrexed + sildenafil], via autophagy-dependent HDAC downregulation, enhances the immunotherapy response of NSCLC cells. Cancer Biol Ther. 2017 Sep 2;18(9):705-714. doi: 10.1080/15384047.2017.1362511." Approved; Investigational Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides "OATP1B1/SLCO1B1 Inhibitors; Purines; Piperazines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Urological Agents; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Sulfonamides; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; Urologicals; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Phosphodiesterase 5 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates; Drugs Used in Erectile Dysfunction" CCCC1=NN(C)C2=C1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1 11854 46508371 D08514 PA451346 DAP000614 Sildenafil CHEMBL192 136411 DB00203 Sildenafil BE0003441 CD274 Q9NZQ7 PD1L1_HUMAN downregulator 28812434 "Booth L, Roberts JL, Poklepovic A, Dent P: [pemetrexed + sildenafil], via autophagy-dependent HDAC downregulation, enhances the immunotherapy response of NSCLC cells. Cancer Biol Ther. 2017 Sep 2;18(9):705-714. doi: 10.1080/15384047.2017.1362511." Approved; Investigational Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides "OATP1B1/SLCO1B1 Inhibitors; Purines; Piperazines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Urological Agents; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Sulfonamides; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; Urologicals; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Phosphodiesterase 5 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates; Drugs Used in Erectile Dysfunction" CCCC1=NN(C)C2=C1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1 11854 46508371 D08514 PA451346 DAP000614 Sildenafil CHEMBL192 136411 DB00204 Dofetilide BE0000210 KCNK2 O95069 KCNK2_HUMAN inhibitor 17139284; 17016423; 17187453 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Roukoz H, Saliba W: Dofetilide: a new class III antiarrhythmic agent. Expert Rev Cardiovasc Ther. 2007 Jan;5(1):9-19." Approved; Investigational Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides "QTc Prolonging Agents; Amines; Cytochrome P-450 CYP3A Substrates; Amides; OCT2 Substrates; Cardiovascular Agents; Sulfones; Cytochrome P-450 Substrates; Membrane Transport Modulators; OCT2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; Sulfur Compounds; Ethylamines; Narrow Therapeutic Index Drugs; Potassium Channel Blockers; Antiarrhythmics, Class III" CN(CCOC1=CC=C(NS(C)(=O)=O)C=C1)CCC1=CC=C(NS(C)(=O)=O)C=C1 46509127 D00647 PA449389 DAP000495 Dofetilide CHEMBL473 49247 DB00205 Pyrimethamine BE0000330 DHFR P00374 DYR_HUMAN inhibitor 12951104; 9380737; 9108546; 11752352 "Rastelli G, Pacchioni S, Parenti MD: Structure of Plasmodium vivax dihydrofolate reductase determined by homology modeling and molecular dynamics refinement. Bioorg Med Chem Lett. 2003 Oct 6;13(19):3257-60.@@Fidock DA, Wellems TE: Transformation with human dihydrofolate reductase renders malaria parasites insensitive to WR99210 but does not affect the intrinsic activity of proguanil. Proc Natl Acad Sci U S A. 1997 Sep 30;94(20):10931-6.@@Wooden JM, Hartwell LH, Vasquez B, Sibley CH: Analysis in yeast of antimalaria drugs that target the dihydrofolate reductase of Plasmodium falciparum. Mol Biochem Parasitol. 1997 Mar;85(1):25-40.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Vet_approved Aminopyrimidines and derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Antibiotics for Pneumocystis Pneumonia; Cytochrome P-450 CYP2C8 Inhibitors; Anti-Infective Agents; MATE 2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Pyrimidines; MATE 1 Inhibitors; Antiprotozoals; Antimalarials; Cytochrome P-450 CYP2C8 Inhibitors (weak); Folic Acid Antagonists; Antimalarial diaminopyrimidines; MATE inhibitors; Antiparasitic Agents" CCC1=C(C(N)=NC(N)=N1)C1=CC=C(Cl)C=C1 5918 46505987 D00488 PA451193 DAP000633 Pyrimethamine CHEMBL36 9010 DB00206 Reserpine BE0004674 SLC18A1 P54219 VMAT1_HUMAN inhibitor 21712771 "Ashe KM, Chiu WL, Khalifa AM, Nicolas AN, Brown BL, De Martino RR, Alexander CP, Waggener CT, Fischer-Stenger K, Stewart JK: Vesicular monoamine transporter-1 (VMAT-1) mRNA and immunoreactive proteins in mouse brain. Neuro Endocrinol Lett. 2011;32(3):253-8." Approved; Investigational; Withdrawn Yohimbine alkaloids Organic compounds; Alkaloids and derivatives; Yohimbine alkaloids "OATP1B1/SLCO1B1 Inhibitors; Decreased Sympathetic Activity; Antiadrenergic Agents, Centrally Acting; Indolizidines; Antihypertensive Agents; P-glycoprotein inducers; Neurotransmitter Uptake Inhibitors; Indoles; Antidepressive Agents; OCT2 Substrates; Hypotensive Agents; Antipsychotic Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Alkaloids; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Secologanin Tryptamine Alkaloids; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Cytochrome P-450 CYP3A5 Inducers; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Gastrointestinal Acidifying Agents; Neurotoxic agents; Catecholamine-depleting Sympatholytic; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; OCT1 inhibitors; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Adrenergic Agents; Indolizines" [H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 9025 46505863 D00197 PA451236 DAP000755 Reserpine CHEMBL772 9260 DB00206 Reserpine BE0003408 BIRC5 O15392 BIRC5_HUMAN 17968851 "Wang Z, Guo X, Liu Z, Cui M, Song F, Liu S: Studies on alkaloids binding to GC-rich human survivin promoter DNA using positive and negative ion electrospray ionization mass spectrometry. J Mass Spectrom. 2008 Mar;43(3):327-35." Approved; Investigational; Withdrawn Yohimbine alkaloids Organic compounds; Alkaloids and derivatives; Yohimbine alkaloids "OATP1B1/SLCO1B1 Inhibitors; Decreased Sympathetic Activity; Antiadrenergic Agents, Centrally Acting; Indolizidines; Antihypertensive Agents; P-glycoprotein inducers; Neurotransmitter Uptake Inhibitors; Indoles; Antidepressive Agents; OCT2 Substrates; Hypotensive Agents; Antipsychotic Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Alkaloids; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Secologanin Tryptamine Alkaloids; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Cytochrome P-450 CYP3A5 Inducers; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Gastrointestinal Acidifying Agents; Neurotoxic agents; Catecholamine-depleting Sympatholytic; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; OCT1 inhibitors; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Adrenergic Agents; Indolizines" [H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 9025 46505863 D00197 PA451236 DAP000755 Reserpine CHEMBL772 9260 DB00208 Ticlopidine BE0000110 P2RY12 Q9H244 P2Y12_HUMAN antagonist 11454254; 15816504; 15955565; 17110146; 11752352 "Storey RF: The P2Y12 receptor as a therapeutic target in cardiovascular disease. Platelets. 2001 Jun;12(4):197-209.@@Boeynaems JM, van Giezen H, Savi P, Herbert JM: P2Y receptor antagonists in thrombosis. Curr Opin Investig Drugs. 2005 Mar;6(3):275-82.@@Gachet C: The platelet P2 receptors as molecular targets for old and new antiplatelet drugs. Pharmacol Ther. 2005 Nov;108(2):180-92. Epub 2005 Jun 13.@@Zhan C, Yang J, Dong XC, Wang YL: Molecular modeling of purinergic receptor P2Y12 and interaction with its antagonists. J Mol Graph Model. 2007 Jul;26(1):20-31. Epub 2006 Sep 26.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Thienopyridines Organic compounds; Organoheterocyclic compounds; Thienopyridines "Purinergic P2Y Receptor Antagonists; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Thienopyridines; Pyridines; Cytochrome P-450 CYP2B6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); Drugs that are Mainly Renally Excreted; Purinergic Agents; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antiplatelet agents; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors (weak); Purinergic P2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Decreased Platelet Aggregation; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Neurotransmitter Agents; Sulfur Compounds; Thiophenes; Fibrin Modulating Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists" ClC1=CC=CC=C1CN1CCC2=C(C1)C=CS2 Ticlopidine Action Pathway; Ticlopidine Metabolism Pathway drug_metabolism; drug_action 945 46504438 D08594 PA451686 DAP000723 Ticlopidine CHEMBL833 10594 DB00209 Trospium BE0000045 CHRM3 P20309 ACM3_HUMAN 17637888 Hesch K: Agents for treatment of overactive bladder: a therapeutic class review. Proc (Bayl Univ Med Cent). 2007 Jul;20(3):307-14. Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Urological Agents; Phenylacetates; Hydroxy Acids; Cytochrome P-450 Enzyme Inhibitors; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Acids, Carbocyclic; Urologicals; Genitourinary Agents; Peripheral Nervous System Agents; Parasympatholytics; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Diphenylacetic Acids; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents" [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1)[N+]21CCCC1 17368 46506398 D01103 PA164748976 DAP000342 Trospium_chloride CHEMBL1888176 236778 DB00210 Adapalene BE0000206 RARB P10826 RARB_HUMAN agonist 9204085; 19929446; 31273085; 10651997 "Shroot B, Michel S: Pharmacology and chemistry of adapalene. J Am Acad Dermatol. 1997 Jun;36(6 Pt 2):S96-103.@@Pierard GE, Pierard-Franchimont C, Paquet P, Quatresooz P: Spotlight on adapalene. Expert Opin Drug Metab Toxicol. 2009 Dec;5(12):1565-75. doi: 10.1517/17425250903386269.@@Ghyselinck NB, Duester G: Retinoic acid signaling pathways. Development. 2019 Jul 4;146(13). pii: 146/13/dev167502. doi: 10.1242/dev.167502.@@Kim MJ, Ciletti N, Michel S, Reichert U, Rosenfield RL: The role of specific retinoid receptors in sebocyte growth and differentiation in culture. J Invest Dermatol. 2000 Feb;114(2):349-53." Approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Anti-Inflammatory Agents; Naphthalenes; Retinoids for Topical Use in Acne; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Retinoids COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2 224 46505019 D01112 PA448047 DAP000115 Adapalene CHEMBL1265 60223 DB00210 Adapalene BE0000144 RARG P13631 RARG_HUMAN agonist 9204085; 19929446; 31273085; 10651997 "Shroot B, Michel S: Pharmacology and chemistry of adapalene. J Am Acad Dermatol. 1997 Jun;36(6 Pt 2):S96-103.@@Pierard GE, Pierard-Franchimont C, Paquet P, Quatresooz P: Spotlight on adapalene. Expert Opin Drug Metab Toxicol. 2009 Dec;5(12):1565-75. doi: 10.1517/17425250903386269.@@Ghyselinck NB, Duester G: Retinoic acid signaling pathways. Development. 2019 Jul 4;146(13). pii: 146/13/dev167502. doi: 10.1242/dev.167502.@@Kim MJ, Ciletti N, Michel S, Reichert U, Rosenfield RL: The role of specific retinoid receptors in sebocyte growth and differentiation in culture. J Invest Dermatol. 2000 Feb;114(2):349-53." Approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Anti-Inflammatory Agents; Naphthalenes; Retinoids for Topical Use in Acne; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Retinoids COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2 224 46505019 D01112 PA448047 DAP000115 Adapalene CHEMBL1265 60223 DB00210 Adapalene BE0000707 RXRG P48443 RXRG_HUMAN agonist 9204085; 19929446; 31273085; 10651997 "Shroot B, Michel S: Pharmacology and chemistry of adapalene. J Am Acad Dermatol. 1997 Jun;36(6 Pt 2):S96-103.@@Pierard GE, Pierard-Franchimont C, Paquet P, Quatresooz P: Spotlight on adapalene. Expert Opin Drug Metab Toxicol. 2009 Dec;5(12):1565-75. doi: 10.1517/17425250903386269.@@Ghyselinck NB, Duester G: Retinoic acid signaling pathways. Development. 2019 Jul 4;146(13). pii: 146/13/dev167502. doi: 10.1242/dev.167502.@@Kim MJ, Ciletti N, Michel S, Reichert U, Rosenfield RL: The role of specific retinoid receptors in sebocyte growth and differentiation in culture. J Invest Dermatol. 2000 Feb;114(2):349-53." Approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Anti-Inflammatory Agents; Naphthalenes; Retinoids for Topical Use in Acne; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Retinoids COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2 224 46505019 D01112 PA448047 DAP000115 Adapalene CHEMBL1265 60223 DB00210 Adapalene BE0000412 RXRA P19793 RXRA_HUMAN agonist 9204085; 19929446; 31273085; 10651997 "Shroot B, Michel S: Pharmacology and chemistry of adapalene. J Am Acad Dermatol. 1997 Jun;36(6 Pt 2):S96-103.@@Pierard GE, Pierard-Franchimont C, Paquet P, Quatresooz P: Spotlight on adapalene. Expert Opin Drug Metab Toxicol. 2009 Dec;5(12):1565-75. doi: 10.1517/17425250903386269.@@Ghyselinck NB, Duester G: Retinoic acid signaling pathways. Development. 2019 Jul 4;146(13). pii: 146/13/dev167502. doi: 10.1242/dev.167502.@@Kim MJ, Ciletti N, Michel S, Reichert U, Rosenfield RL: The role of specific retinoid receptors in sebocyte growth and differentiation in culture. J Invest Dermatol. 2000 Feb;114(2):349-53." Approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Anti-Inflammatory Agents; Naphthalenes; Retinoids for Topical Use in Acne; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Retinoids COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2 224 46505019 D01112 PA448047 DAP000115 Adapalene CHEMBL1265 60223 DB00210 Adapalene BE0000663 RARA P10276 RARA_HUMAN 9204085; 19929446; 31273085; 10651997 "Shroot B, Michel S: Pharmacology and chemistry of adapalene. J Am Acad Dermatol. 1997 Jun;36(6 Pt 2):S96-103.@@Pierard GE, Pierard-Franchimont C, Paquet P, Quatresooz P: Spotlight on adapalene. Expert Opin Drug Metab Toxicol. 2009 Dec;5(12):1565-75. doi: 10.1517/17425250903386269.@@Ghyselinck NB, Duester G: Retinoic acid signaling pathways. Development. 2019 Jul 4;146(13). pii: 146/13/dev167502. doi: 10.1242/dev.167502.@@Kim MJ, Ciletti N, Michel S, Reichert U, Rosenfield RL: The role of specific retinoid receptors in sebocyte growth and differentiation in culture. J Invest Dermatol. 2000 Feb;114(2):349-53." Approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Anti-Inflammatory Agents; Naphthalenes; Retinoids for Topical Use in Acne; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Retinoids COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2 224 46505019 D01112 PA448047 DAP000115 Adapalene CHEMBL1265 60223 DB00211 Midodrine BE0000715 ADRA1D P25100 ADA1D_HUMAN agonist 12238918 "Altenbach RJ, Khilevich A, Meyer MD, Buckner SA, Milicic I, Daza AV, Brune ME, O'Neill AB, Gauvin DM, Cain JC, Nakane M, Holladay MW, Williams M, Brioni JD, Sullivan JP: N-[3-(1H-imidazol-4-ylmethyl)phenyl]ethanesulfonamide (ABT-866, 1),(1) a novel alpha(1)-adrenoceptor ligand with an enhanced in vitro and in vivo profile relative to phenylpropanolamine and midodrine. J Med Chem. 2002 Sep 26;45(20):4395-7." Approved Dimethoxybenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Agents producing tachycardia; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Cytochrome P-450 Substrates; Alcohols; Vasoconstrictor Agents; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Sympathomimetics; Agents that produce hypertension; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Cardiac Therapy; Neurotransmitter Agents; Bradycardia-Causing Agents; Ethanolamines; Adrenergic Agents COC1=CC(C(O)CNC(=O)CN)=C(OC)C=C1 918 46507373 D08220 PA164749381 DAP000229 Midodrine CHEMBL1201212 6963 DB00212 Remikiren BE0000270 REN P00797 RENI_HUMAN inhibitor 10583449; 7769797; 7994817; 8206619; 8319997; 11752352 "van Paassen P, Navis GJ, De Jong PE, De Zeeuw D: Pretreatment renal vascular tone predicts the effect of specific renin inhibition on natriuresis in essential hypertension. Eur J Clin Invest. 1999 Dec;29(12):1019-26.@@MacFadyen RJ, Jones CR, Doig JK, Birnbock H, Reid JL: Responses to an orally active renin inhibitor, remikiren (Ro 42-5892), after controlled salt depletion in humans. J Cardiovasc Pharmacol. 1995 Mar;25(3):347-53.@@Kiowski W, Beermann J, Rickenbacher P, Haemmerli R, Thomas M, Burkart F, Meinertz T: Angiotensinergic versus nonangiotensinergic hemodynamic effects of converting enzyme inhibition in patients with chronic heart failure. Assessment by acute renin and converting enzyme inhibition. Circulation. 1994 Dec;90(6):2748-56.@@Hilgers KF, Fischli W, Veelken R, Mann JF: Vascular renin in the guinea pig. Suppression by the renin inhibitor remikiren. Hypertension. 1994 Jun;23(6 Pt 2):861-4.@@Clozel JP, Fischli W: Comparative effects of three different potent renin inhibitors in primates. Hypertension. 1993 Jul;22(1):9-17.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Histidine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Cardiovascular Agents; Enzyme Inhibitors; Antihypertensive Agents; Renin Inhibitors CC(C)(C)S(=O)(=O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1 46507286 PA164774779 DAP001220 Remikiren CHEMBL31601 DB00213 Pantoprazole BE0000766 DDAH1 O94760 DDAH1_HUMAN inhibitor 23825361; 28588208 "Ghebremariam YT, LePendu P, Lee JC, Erlanson DA, Slaviero A, Shah NH, Leiper J, Cooke JP: Unexpected effect of proton pump inhibitors: elevation of the cardiovascular risk factor asymmetric dimethylarginine. Circulation. 2013 Aug 20;128(8):845-53. doi: 10.1161/CIRCULATIONAHA.113.003602. Epub 2013 Jul 3.@@Tommasi S, Elliot DJ, Hulin JA, Lewis BC, McEvoy M, Mangoni AA: Human dimethylarginine dimethylaminohydrolase 1 inhibition by proton pump inhibitors and the cardiovascular risk marker asymmetric dimethylarginine: in vitro and in vivo significance. Sci Rep. 2017 Jun 6;7(1):2871. doi: 10.1038/s41598-017-03069-1." Approved Sulfinylbenzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Sulfinylbenzimidazoles "Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Drugs for Acid Related Disorders; Gastrointestinal Agents; Pyridines; 2-Pyridinylmethylsulfinylbenzimidazoles; Anti-Ulcer Agents; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Sulfoxides; Heterocyclic Compounds, Fused-Ring; Gastric Acid Lowering Agents; Cytochrome P-450 CYP3A4 Substrates; Proton Pump Inhibitors; Acid Reducers; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Benzimidazoles; Proton-pump Inhibitors" COC1=C(OC)C(CS(=O)C2=NC3=C(N2)C=C(OC(F)F)C=C3)=NC=C1 Pantoprazole Metabolism Pathway; Pantoprazole Action Pathway drug_metabolism; drug_action 11086 46504622 D05353 PA450774 DAP000724 Pantoprazole CHEMBL1502 40790 DB00214 Torasemide BE0000281 SLC12A2 P55011 S12A2_HUMAN inhibitor 11752352; 8732438; 1632943 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Baumann P: Pharmacology and pharmacokinetics of citalopram and other SSRIs. Int Clin Psychopharmacol. 1996 Mar;11 Suppl 1:5-11.@@Hyttel J, Bogeso KP, Perregaard J, Sanchez C: The pharmacological effect of citalopram residues in the (S)-(+)-enantiomer. J Neural Transm Gen Sect. 1992;88(2):157-60." Approved Pyridinesulfonamides Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinesulfonamides Ototoxic agents; Antihypertensive Agents; Hyperglycemia-Associated Agents; OATP1B1/SLCO1B1 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Increased Diuresis at Loop of Henle; Sulfonamides; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; High-Ceiling Diuretics; Diuretics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; Cytochrome P-450 CYP2C9 Substrates; Sulfur Compounds CC(C)NC(=O)NS(=O)(=O)C1=C(NC2=CC=CC(C)=C2)C=CN=C1 Torsemide Action Pathway drug_action 286 46504760 D00382 PA451733 DAP000745 Torasemide CHEMBL1148 38413 DB00215 Citalopram BE0000442 HRH1 P35367 HRH1_HUMAN binder 17916059 "Bareggi SR, Mundo E, Dell'Osso B, Altamura AC: The use of escitalopram beyond major depression: pharmacological aspects, efficacy and tolerability in anxiety disorders. Expert Opin Drug Metab Toxicol. 2007 Oct;3(5):741-53." Approved Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); QTc Prolonging Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Antidepressive Agents Indicated for Depression; Nitriles; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Benzofurans; Nervous System; Antidepressive Agents, Second-Generation; Propylamines" CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 Citalopram Action Pathway; Citalopram Metabolism Pathway drug_metabolism; drug_action 11847 46508746 D07704 PA449015 DAP000118 Citalopram CHEMBL549 2556 DB00217 Bethanidine BE0004872 ADRB1 P13945 ADRB3_HUMAN antagonist 6114720; 11752352; 6812406 "Hart GR, Anderson RJ: Withdrawal syndromes and the cessation of antihypertensive therapy. Arch Intern Med. 1981 Aug;141(9):1125-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Bacaner MB, Benditt DG: Antiarrhythmic, antifibrillatory, and hemodynamic actions of bethanidine sulfate: an orally effective analog of bretylium for suppression of ventricular tachyarrhythmias. Am J Cardiol. 1982 Oct;50(4):728-34." Approved Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Cardiovascular Agents; Adrenergic Agonists; Guanidine Derivatives; Amidines; Adrenergic alpha-Agonists; Guanidines; Antiadrenergic Agents, Peripherally Acting; Antihypertensive Agents; Neurotransmitter Agents; Sympatholytics; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Agents that produce hypertension; Adrenergic Agents; Peripheral Nervous System Agents; Autonomic Agents" CN\C(NCC1=CC=CC=C1)=N/C 46507605 D01603 PA164743235 DAP000047 Bethanidine CHEMBL1201260 1523 DB00218 Moxifloxacin BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 11752352; 20596674; 20802486 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Reuveni D, Halperin D, Shalit I, Priel E, Fabian I: Moxifloxacin enhances etoposide-induced cytotoxic, apoptotic and anti-topoisomerase II effects in a human colon carcinoma cell line. Int J Oncol. 2010 Aug;37(2):463-71.@@Wohlkonig A, Chan PF, Fosberry AP, Homes P, Huang J, Kranz M, Leydon VR, Miles TJ, Pearson ND, Perera RL, Shillings AJ, Gwynn MN, Bax BD: Structural basis of quinolone inhibition of type IIA topoisomerases and target-mediated resistance. Nat Struct Mol Biol. 2010 Sep;17(9):1152-3. doi: 10.1038/nsmb.1892. Epub 2010 Aug 29." Approved; Investigational Quinoline carboxylic acids Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids "QTc Prolonging Agents; Enzyme Inhibitors; Topoisomerase Inhibitors; Anti-Bacterial Agents; Quinolones; Antiinfectives for Systemic Use; Quinolone Antimicrobial; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fluoroquinolone Antibacterial; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Antibacterials for Systemic Use; Anti-Infective Agents; Topoisomerase II Inhibitors; Fluoroquinolones; Ophthalmologicals; Moderate Risk QTc-Prolonging Agents; Quinolines; Sensory Organs" [H][C@]12CN(C[C@@]1([H])NCCC2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1OC)C(O)=O 12034 46508509 D08237 PA450555 DAP000158 Moxifloxacin CHEMBL32 139462 DB00218 Moxifloxacin BE0000930 PON1 P27169 PON1_HUMAN inhibitor 25519764 "Turkes C, Soyut H, Beydemir S: Human serum paraoxonase-1 (hPON1): in vitro inhibition effects of moxifloxacin hydrochloride, levofloxacin hemihidrate, cefepime hydrochloride, cefotaxime sodium and ceftizoxime sodium. J Enzyme Inhib Med Chem. 2015;30(4):622-8. doi: 10.3109/14756366.2014.959511. Epub 2014 Dec 18." Approved; Investigational Quinoline carboxylic acids Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids "QTc Prolonging Agents; Enzyme Inhibitors; Topoisomerase Inhibitors; Anti-Bacterial Agents; Quinolones; Antiinfectives for Systemic Use; Quinolone Antimicrobial; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fluoroquinolone Antibacterial; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Antibacterials for Systemic Use; Anti-Infective Agents; Topoisomerase II Inhibitors; Fluoroquinolones; Ophthalmologicals; Moderate Risk QTc-Prolonging Agents; Quinolines; Sensory Organs" [H][C@]12CN(C[C@@]1([H])NCCC2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1OC)C(O)=O 12034 46508509 D08237 PA450555 DAP000158 Moxifloxacin CHEMBL32 139462 DB00223 Diflorasone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 15764038 "Pearce DJ, Spencer L, Hu J, Balkrishnan R, Fleischer AB Jr, Feldman SR: Class I topical corticosteroid use by psoriasis patients in an academic practice. J Dermatolog Treat. 2004 Jul;15(4):235-8." Approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Fused-Ring Compounds; Steroids, Fluorinated; Immunosuppressive Agents; Corticosteroids; Adrenal Cortex Hormones; Anti-Inflammatory Agents; Corticosteroids, Dermatological Preparations; Corticosteroid Hormone Receptor Agonists; Dermatologicals; Corticosteroids, Potent (Group III); Pregnadienes; Steroids; Pregnadienetriols; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C 2049 46504519 D07827 PA164749408 DAP001184 Diflorasone CHEMBL1201380 91311 DB00227 Lovastatin BE0000574 HMGCR P04035 HMDH_HUMAN inhibitor 12172803; 12204108; 12214063; 12369143; 12405293; 11752352; 19249983; 12082550 "Abe Y, Suzuki T, Ono C, Iwamoto K, Hosobuchi M, Yoshikawa H: Molecular cloning and characterization of an ML-236B (compactin) biosynthetic gene cluster in Penicillium citrinum. Mol Genet Genomics. 2002 Jul;267(5):636-46. Epub 2002 Jun 28.@@Miyazaki A, Koieyama T, Shimada Y, Kikuchi T, Nezu H, Ito K, Kasanuki N, Koga T: Effects of pravastatin sodium on mevalonate metabolism in common marmosets. J Biochem. 2002 Sep;132(3):395-400.@@Buxbaum JD, Geoghagen NS, Friedhoff LT: Cholesterol depletion with physiological concentrations of a statin decreases the formation of the Alzheimer amyloid Abeta peptide. J Alzheimers Dis. 2001 Apr;3(2):221-229.@@Baranova NA, Kreier VG, Egorov NS: [Concentration on Diapak C 16 capsules of lovastatin, mevinolinic acid and other inhibitors of biosynthesis of sterins produced by Penicillium citrinum 89]. Antibiot Khimioter. 2002;47(4):3-6.@@Farina HG, Bublik DR, Alonso DF, Gomez DE: Lovastatin alters cytoskeleton organization and inhibits experimental metastasis of mammary carcinoma cells. Clin Exp Metastasis. 2002;19(6):551-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Podar K, Tai YT, Hideshima T, Vallet S, Richardson PG, Anderson KC: Emerging therapies for multiple myeloma. Expert Opin Emerg Drugs. 2009 Mar;14(1):99-127. doi: 10.1517/14728210802676278 .@@Dimitroulakos J, Marhin WH, Tokunaga J, Irish J, Gullane P, Penn LZ, Kamel-Reid S: Microarray and biochemical analysis of lovastatin-induced apoptosis of squamous cell carcinomas. Neoplasia. 2002 Jul-Aug;4(4):337-46." Approved; Investigational Delta valerolactones Organic compounds; Organoheterocyclic compounds; Lactones; Delta valerolactones Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A7 Substrates [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC Lovastatin Action Pathway drug_action 1290 46508223 D00359 PA450272 DAP000551 Lovastatin CHEMBL503 6472 DB00227 Lovastatin BE0000516 ITGAL P20701 ITAL_HUMAN inhibitor 10493852; 11385505; 15822172 "Kallen J, Welzenbach K, Ramage P, Geyl D, Kriwacki R, Legge G, Cottens S, Weitz-Schmidt G, Hommel U: Structural basis for LFA-1 inhibition upon lovastatin binding to the CD11a I-domain. J Mol Biol. 1999 Sep 10;292(1):1-9.@@Weitz-Schmidt G, Welzenbach K, Brinkmann V, Kamata T, Kallen J, Bruns C, Cottens S, Takada Y, Hommel U: Statins selectively inhibit leukocyte function antigen-1 by binding to a novel regulatory integrin site. Nat Med. 2001 Jun;7(6):687-92. doi: 10.1038/89058.@@Liao JK, Laufs U: Pleiotropic effects of statins. Annu Rev Pharmacol Toxicol. 2005;45:89-118. doi: 10.1146/annurev.pharmtox.45.120403.095748." Approved; Investigational Delta valerolactones Organic compounds; Organoheterocyclic compounds; Lactones; Delta valerolactones Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A7 Substrates [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC Lovastatin Action Pathway drug_action 1290 46508223 D00359 PA450272 DAP000551 Lovastatin CHEMBL503 6472 DB00227 Lovastatin BE0002366 HDAC2 Q92769 HDAC2_HUMAN inhibitor 18381445; 30266498; 30216432 "Lin YC, Lin JH, Chou CW, Chang YF, Yeh SH, Chen CC: Statins increase p21 through inhibition of histone deacetylase activity and release of promoter-associated HDAC1/2. Cancer Res. 2008 Apr 1;68(7):2375-83. doi: 10.1158/0008-5472.CAN-07-5807.@@Zhang L, Kang W, Lu X, Ma S, Dong L, Zou B: Weighted gene co-expression network analysis and connectivity map identifies lovastatin as a treatment option of gastric cancer by inhibiting HDAC2. Gene. 2019 Jan 10;681:15-25. doi: 10.1016/j.gene.2018.09.040. Epub 2018 Sep 25.@@Luthje P, Walker S, Kamolvit W, Mohanty S, Putsep K, Brauner A: Statins influence epithelial expression of the anti-microbial peptide LL-37/hCAP-18 independently of the mevalonate pathway. Clin Exp Immunol. 2019 Feb;195(2):265-276. doi: 10.1111/cei.13217. Epub 2018 Oct 11." Approved; Investigational Delta valerolactones Organic compounds; Organoheterocyclic compounds; Lactones; Delta valerolactones Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A7 Substrates [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC Lovastatin Action Pathway drug_action 1290 46508223 D00359 PA450272 DAP000551 Lovastatin CHEMBL503 6472 DB00228 Enflurane BE0004902 CACNG1 Q9P0X4 CAC1I_HUMAN inhibitor 8053596; 1850580; 7741301 "Connelly TJ, Coronado R: Activation of the Ca2+ release channel of cardiac sarcoplasmic reticulum by volatile anesthetics. Anesthesiology. 1994 Aug;81(2):459-69. doi: 10.1097/00000542-199408000-00025.@@Eskinder H, Rusch NJ, Supan FD, Kampine JP, Bosnjak ZJ: The effects of volatile anesthetics on L- and T-type calcium channel currents in canine cardiac Purkinje cells. Anesthesiology. 1991 May;74(5):919-26. doi: 10.1097/00000542-199105000-00018.@@Haworth RA, Goknur AB: Inhibition of sodium/calcium exchange and calcium channels of heart cells by volatile anesthestics. Anesthesiology. 1995 May;82(5):1255-65. doi: 10.1097/00000542-199505000-00021." Approved; Investigational; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethers; Nervous System; Anesthetics, Inhalation" FC(F)OC(F)(F)C(F)Cl 2425 46505314 D00543 PA449461 DAP000799 Enflurane CHEMBL1257 3920 DB00228 Enflurane BE0000433 GLRA1 P23415 GLRA1_HUMAN potentiator 25807016; 10683198; 16973644 "Borghese CM: The molecular pharmacology of volatile anesthetics. Int Anesthesiol Clin. 2015 Spring;53(2):28-39. doi: 10.1097/AIA.0000000000000060.@@Krasowski MD, Harrison NL: The actions of ether, alcohol and alkane general anaesthetics on GABAA and glycine receptors and the effects of TM2 and TM3 mutations. Br J Pharmacol. 2000 Feb;129(4):731-43.@@Grasshoff C, Antkowiak B: Effects of isoflurane and enflurane on GABAA and glycine receptors contribute equally to depressant actions on spinal ventral horn neurones in rats. Br J Anaesth. 2006 Nov;97(5):687-94. doi: 10.1093/bja/ael239. Epub 2006 Sep 13." Approved; Investigational; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethers; Nervous System; Anesthetics, Inhalation" FC(F)OC(F)(F)C(F)Cl 2425 46505314 D00543 PA449461 DAP000799 Enflurane CHEMBL1257 3920 DB00228 Enflurane BE0009847 KCNA1 Q13303 KCAB2_HUMAN inhibitor 19298752; 11605938; 10794813 "Matchett GA, Allard MW, Martin RD, Zhang JH: Neuroprotective effect of volatile anesthetic agents: molecular mechanisms. Neurol Res. 2009 Mar;31(2):128-34. doi: 10.1179/174313209X393546.@@Friederich P, Benzenberg D, Trellakis S, Urban BW: Interaction of volatile anesthetics with human Kv channels in relation to clinical concentrations. Anesthesiology. 2001 Oct;95(4):954-8. doi: 10.1097/00000542-200110000-00026.@@Namba T, Ishii TM, Ikeda M, Hisano T, Itoh T, Hirota K, Adelman JP, Fukuda K: Inhibition of the human intermediate conductance Ca(2+)-activated K(+) channel, hIK1, by volatile anesthetics. Eur J Pharmacol. 2000 Apr 28;395(2):95-101." Approved; Investigational; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethers; Nervous System; Anesthetics, Inhalation" FC(F)OC(F)(F)C(F)Cl 2425 46505314 D00543 PA449461 DAP000799 Enflurane CHEMBL1257 3920 DB00228 Enflurane BE0000218 ATP2C1 P98194 AT2C1_HUMAN inhibitor 7873420; 8214757 "Kosk-Kosicka D: Plasma membrane Ca(2+)-ATPase as a target for volatile anesthetics. Adv Pharmacol. 1994;31:313-22.@@Kosk-Kosicka D, Roszczynska G: Inhibition of plasma membrane Ca(2+)-ATPase activity by volatile anesthetics. Anesthesiology. 1993 Oct;79(4):774-80." Approved; Investigational; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethers; Nervous System; Anesthetics, Inhalation" FC(F)OC(F)(F)C(F)Cl 2425 46505314 D00543 PA449461 DAP000799 Enflurane CHEMBL1257 3920 DB00228 Enflurane BE0003888 ATP2A1 O14983 AT2A1_HUMAN inhibitor 8214757; 1533495 "Kosk-Kosicka D, Roszczynska G: Inhibition of plasma membrane Ca(2+)-ATPase activity by volatile anesthetics. Anesthesiology. 1993 Oct;79(4):774-80.@@Blanck TJ, Peterson CV, Baroody B, Tegazzin V, Lou J: Halothane, enflurane, and isoflurane stimulate calcium leakage from rabbit sarcoplasmic reticulum. Anesthesiology. 1992 May;76(5):813-21. doi: 10.1097/00000542-199205000-00021." Approved; Investigational; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethers; Nervous System; Anesthetics, Inhalation" FC(F)OC(F)(F)C(F)Cl 2425 46505314 D00543 PA449461 DAP000799 Enflurane CHEMBL1257 3920 DB00230 Pregabalin BE0000691 CACNA2D1 P54289 CA2D1_HUMAN 24533015 "Verma V, Singh N, Singh Jaggi A: Pregabalin in neuropathic pain: evidences and possible mechanisms. Curr Neuropharmacol. 2014 Jan;12(1):44-56. doi: 10.2174/1570159X1201140117162802." Approved; Investigational Gamma amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Sensory System Agents; QTc Prolonging Agents; Agents causing angioedema; Amino Acids, Peptides, and Proteins; Butyrates; Muscle Relaxants, Centrally Acting Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Potential QTc-Prolonging Agents; Amino Acids; Vasodilating Agents; Acids, Acyclic; Peripheral Nervous System Agents; Analgesics; Aminobutyrates; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Hypoglycemia-Associated Agents; Bradycardia-Causing Agents; Nervous System; Anticonvulsants; Gabapentinoids" CC(C)C[C@H](CN)CC(O)=O 15568 46504934 D02716 PA164754814 DAP001264 Pregabalin CHEMBL1059 187832 DB00231 Temazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 29950725; 23038269 "Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27.@@Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4." Approved; Investigational "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Muscle Relaxants, Centrally Acting Agents; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents" CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1 2014 46506604 D00370 PA451608 DAP000238 Temazepam CHEMBL967 10355 DB00232 Methyclothiazide BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 1901209; 2226620; 19119014 "Meyerson LR, Nesta D: [3H]acetazolamide binding to carbonic anhydrase in normal and transformed cells. Biochem Pharmacol. 1991 Mar 15-Apr 1;41(6-7):995-1000.@@Schaeffer P, Vigne P, Frelin C, Lazdunski M: Identification and pharmacological properties of binding sites for the atypical thiazide diuretic, indapamide. Eur J Pharmacol. 1990 Jul 17;182(3):503-8.@@Temperini C, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Comparison of chlorthalidone, indapamide, trichloromethiazide, and furosemide X-ray crystal structures in adducts with isozyme II, when several water molecules make the difference. Bioorg Med Chem. 2009 Feb 1;17(3):1214-21. doi: 10.1016/j.bmc.2008.12.023. Epub 2008 Dec 24." Withdrawn "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "Hypotensive Agents; Natriuretic Agents; Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfonamides; Diuretics; Increased Diuresis; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Hyperglycemia-Associated Agents; Sulfur Compounds; Benzothiadiazines; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators; Thiazides" CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O Methyclothiazide Action Pathway drug_action 10199 46509197 D00656 PA164748094 DAP000746 Methyclothiazide CHEMBL1577 6860 DB00233 Aminosalicylic acid BE0004655 CHUK O15111 IKKA_HUMAN inhibitor 11151876; 12950415; 11054378 "Bantel H, Berg C, Vieth M, Stolte M, Kruis W, Schulze-Osthoff K: Mesalazine inhibits activation of transcription factor NF-kappaB in inflamed mucosa of patients with ulcerative colitis. Am J Gastroenterol. 2000 Dec;95(12):3452-7.@@Allgayer H: Review article: mechanisms of action of mesalazine in preventing colorectal carcinoma in inflammatory bowel disease. Aliment Pharmacol Ther. 2003 Sep;18 Suppl 2:10-4.@@Weber CK, Liptay S, Wirth T, Adler G, Schmid RM: Suppression of NF-kappaB activity by sulfasalazine is mediated by direct inhibition of IkappaB kinases alpha and beta. Gastroenterology. 2000 Nov;119(5):1209-18." Approved Aminosalicylic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Aminosalicylic Acid and Derivatives; Anti-Infective Agents; Drugs for Treatment of Tuberculosis; Aminosalicylic Acids; Benzoates; Acids, Carbocyclic; Hydroxy Acids; para-Aminobenzoates; Phenols; Anti-Bacterial Agents; Hydroxybenzoates; Benzene Derivatives; Antimycobacterials; Antiinfectives for Systemic Use; Methemoglobinemia Associated Agents; Salicylates; Aminobenzoates" NC1=CC(O)=C(C=C1)C(O)=O 6620 46505572 D00162 PA448382 4-Aminosalicylic_acid CHEMBL1169 7833 DB00235 Milrinone BE0000436 PDE3A Q14432 PDE3A_HUMAN inhibitor 10511123; 10859452; 12135876; 12181427; 12652111; 11752352; 6177950 "Cone J, Wang S, Tandon N, Fong M, Sun B, Sakurai K, Yoshitake M, Kambayashi J, Liu Y: Comparison of the effects of cilostazol and milrinone on intracellular cAMP levels and cellular function in platelets and cardiac cells. J Cardiovasc Pharmacol. 1999 Oct;34(4):497-504.@@Kuthe A, Magert H, Uckert S, Forssmann WG, Stief CG, Jonas U: Gene expression of the phosphodiesterases 3A and 5A in human corpus cavernosum penis. Eur Urol. 2000 Jul;38(1):108-14.@@Lefievre L, de Lamirande E, Gagnon C: Presence of cyclic nucleotide phosphodiesterases PDE1A, existing as a stable complex with calmodulin, and PDE3A in human spermatozoa. Biol Reprod. 2002 Aug;67(2):423-30.@@Zhang W, Ke H, Colman RW: Identification of interaction sites of cyclic nucleotide phosphodiesterase type 3A with milrinone and cilostazol using molecular modeling and site-directed mutagenesis. Mol Pharmacol. 2002 Sep;62(3):514-20.@@Shakur Y, Fong M, Hensley J, Cone J, Movsesian MA, Kambayashi J, Yoshitake M, Liu Y: Comparison of the effects of cilostazol and milrinone on cAMP-PDE activity, intracellular cAMP and calcium in the heart. Cardiovasc Drugs Ther. 2002 Sep;16(5):417-27.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kariya T, Wille LJ, Dage RC: Biochemical studies on the mechanism of cardiotonic activity of MDL 17,043. J Cardiovasc Pharmacol. 1982 May-Jun;4(3):509-14. doi: 10.1097/00005344-198205000-00024." Approved Bipyridines and oligopyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines "Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Amines; Aminopyridines; Cardiac Therapy; Enzyme Inhibitors; Phosphodiesterase 3 Inhibitors; Vasodilating Agents; Pyridines; Hematologic Agents; Protective Agents; Compounds used in a research, industrial, or household setting; Drugs that are Mainly Renally Excreted; Phosphodiesterase Inhibitors; Cardiotonic Agents" CC1=C(C=C(C#N)C(=O)N1)C1=CC=NC=C1 1216 46507838 D00417 PA164749171 DAP000150 Milrinone CHEMBL189 52769 DB00237 Butabarbital BE0000640 GRIA1 P42261 GRIA1_HUMAN antagonist 10487207; 11264449 "Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants CCC(C)C1(CC)C(=O)NC(=O)NC1=O 8245 46505051 D03180 PA164743463 DAP000667 Butabarbital CHEMBL449 477631 DB00237 Butabarbital BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants CCC(C)C1(CC)C(=O)NC(=O)NC1=O 8245 46505051 D03180 PA164743463 DAP000667 Butabarbital CHEMBL449 477631 DB00237 Butabarbital BE0000831 GRIA3 P42263 GRIA3_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants CCC(C)C1(CC)C(=O)NC(=O)NC1=O 8245 46505051 D03180 PA164743463 DAP000667 Butabarbital CHEMBL449 477631 DB00237 Butabarbital BE0000346 GRIK1 P39086 GRIK1_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants CCC(C)C1(CC)C(=O)NC(=O)NC1=O 8245 46505051 D03180 PA164743463 DAP000667 Butabarbital CHEMBL449 477631 DB00237 Butabarbital BE0000826 GRIK2 Q13002 GRIK2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants CCC(C)C1(CC)C(=O)NC(=O)NC1=O 8245 46505051 D03180 PA164743463 DAP000667 Butabarbital CHEMBL449 477631 DB00237 Butabarbital BE0000832 GRIK3 Q13003 GRIK3_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants CCC(C)C1(CC)C(=O)NC(=O)NC1=O 8245 46505051 D03180 PA164743463 DAP000667 Butabarbital CHEMBL449 477631 DB00237 Butabarbital BE0000827 GRIK4 Q16099 GRIK4_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants CCC(C)C1(CC)C(=O)NC(=O)NC1=O 8245 46505051 D03180 PA164743463 DAP000667 Butabarbital CHEMBL449 477631 DB00237 Butabarbital BE0000828 GRIK5 Q16478 GRIK5_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants CCC(C)C1(CC)C(=O)NC(=O)NC1=O 8245 46505051 D03180 PA164743463 DAP000667 Butabarbital CHEMBL449 477631 DB00240 Alclometasone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 20920967; 9891987 "Labeur M, Holsboer F: Molecular mechanisms of glucocorticoid receptor signaling. Medicina (B Aires). 2010;70(5):457-62.@@Hofmann TG, Hehner SP, Bacher S, Droge W, Schmitz ML: Various glucocorticoids differ in their ability to induce gene expression, apoptosis and to repress NF-kappaB-dependent transcription. FEBS Lett. 1998 Dec 28;441(3):441-6." Approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Substrates; Sensory Organs; Steroids; Pregnadienetriols; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C 46508296 D07116 PA164747650 DAP000415 Alclometasone CHEMBL1201361 108088 DB00241 Butalbital BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 11264449; 10209232 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Psycholeptics; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Methemoglobinemia Associated Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Barbiturates; Anticonvulsants CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O 8231 46505876 D03182 PA448695 DAP000668 Butalbital CHEMBL454 19860 DB00241 Butalbital BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 14579514; 10209232; 10487207; 11264449; 11279945; 11752352; 17139284; 17016423 "Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Cutrer FM, Mitsikostas DD, Ayata G, Sanchez del Rio M: Attenuation by butalbital of capsaicin-induced c-fos-like immunoreactivity in trigeminal nucleus caudalis. Headache. 1999 Nov-Dec;39(10):697-704.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Psycholeptics; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Methemoglobinemia Associated Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Barbiturates; Anticonvulsants CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O 8231 46505876 D03182 PA448695 DAP000668 Butalbital CHEMBL454 19860 DB00241 Butalbital BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 11264449; 16248797; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Psycholeptics; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Methemoglobinemia Associated Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Barbiturates; Anticonvulsants CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O 8231 46505876 D03182 PA448695 DAP000668 Butalbital CHEMBL454 19860 DB00241 Butalbital BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Psycholeptics; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Methemoglobinemia Associated Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Barbiturates; Anticonvulsants CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O 8231 46505876 D03182 PA448695 DAP000668 Butalbital CHEMBL454 19860 DB00241 Butalbital BE0000826 GRIK2 Q13002 GRIK2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Psycholeptics; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Methemoglobinemia Associated Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Barbiturates; Anticonvulsants CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O 8231 46505876 D03182 PA448695 DAP000668 Butalbital CHEMBL454 19860 DB00242 Cladribine BE0000325 RRM1 P23921 RIR1_HUMAN inhibitor 19715446; 17852710; 19576186; 16316309; 9923554 "Sampat K, Kantarjian H, Borthakur G: Clofarabine: emerging role in leukemias. Expert Opin Investig Drugs. 2009 Oct;18(10):1559-64. doi: 10.1517/13543780903173222.@@Kantarjian HM, Jeha S, Gandhi V, Wess M, Faderl S: Clofarabine: past, present, and future. Leuk Lymphoma. 2007 Oct;48(10):1922-30.@@Zhenchuk A, Lotfi K, Juliusson G, Albertioni F: Mechanisms of anti-cancer action and pharmacology of clofarabine. Biochem Pharmacol. 2009 Dec 1;78(11):1351-9. doi: 10.1016/j.bcp.2009.06.094. Epub 2009 Jul 1.@@Kline JP, Larson RA: Clofarabine in the treatment of acute myeloid leukaemia and acute lymphoblastic leukaemia: a review. Expert Opin Pharmacother. 2005 Dec;6(15):2711-8.@@Takahashi T, Kanazawa J, Akinaga S, Tamaoki T, Okabe M: Antitumor activity of 2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl) adenine, a novel deoxyadenosine analog, against human colon tumor xenografts by oral administration. Cancer Chemother Pharmacol. 1999;43(3):233-40." Approved; Investigational Purine 2'-deoxyribonucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides" "Myelosuppressive Agents; Ribonucleosides; Purines; Nucleosides; Antimetabolites; Purine Antimetabolite; Cardiotoxic antineoplastic agents; Immunologic Factors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Deoxyribonucleosides; Selective Immunosuppressants; Deoxyadenosines; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; 2-Chloroadenosine; Narrow Therapeutic Index Drugs; Purine Analogues" NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1 1739 46504588 D01370 PA449027 DAP000565 Cladribine CHEMBL1619 44157 DB00242 Cladribine BE0003613 RRM2B Q7LG56 RIR2B_HUMAN inhibitor 19715446; 17852710; 19576186; 16316309; 9923554 "Sampat K, Kantarjian H, Borthakur G: Clofarabine: emerging role in leukemias. Expert Opin Investig Drugs. 2009 Oct;18(10):1559-64. doi: 10.1517/13543780903173222.@@Kantarjian HM, Jeha S, Gandhi V, Wess M, Faderl S: Clofarabine: past, present, and future. Leuk Lymphoma. 2007 Oct;48(10):1922-30.@@Zhenchuk A, Lotfi K, Juliusson G, Albertioni F: Mechanisms of anti-cancer action and pharmacology of clofarabine. Biochem Pharmacol. 2009 Dec 1;78(11):1351-9. doi: 10.1016/j.bcp.2009.06.094. Epub 2009 Jul 1.@@Kline JP, Larson RA: Clofarabine in the treatment of acute myeloid leukaemia and acute lymphoblastic leukaemia: a review. Expert Opin Pharmacother. 2005 Dec;6(15):2711-8.@@Takahashi T, Kanazawa J, Akinaga S, Tamaoki T, Okabe M: Antitumor activity of 2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl) adenine, a novel deoxyadenosine analog, against human colon tumor xenografts by oral administration. Cancer Chemother Pharmacol. 1999;43(3):233-40." Approved; Investigational Purine 2'-deoxyribonucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides" "Myelosuppressive Agents; Ribonucleosides; Purines; Nucleosides; Antimetabolites; Purine Antimetabolite; Cardiotoxic antineoplastic agents; Immunologic Factors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Deoxyribonucleosides; Selective Immunosuppressants; Deoxyadenosines; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; 2-Chloroadenosine; Narrow Therapeutic Index Drugs; Purine Analogues" NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1 1739 46504588 D01370 PA449027 DAP000565 Cladribine CHEMBL1619 44157 DB00242 Cladribine BE0000546 POLA1 P09884 DPOLA_HUMAN inhibitor 19576186; 16316309; 9923554; 14722255 "Zhenchuk A, Lotfi K, Juliusson G, Albertioni F: Mechanisms of anti-cancer action and pharmacology of clofarabine. Biochem Pharmacol. 2009 Dec 1;78(11):1351-9. doi: 10.1016/j.bcp.2009.06.094. Epub 2009 Jul 1.@@Kline JP, Larson RA: Clofarabine in the treatment of acute myeloid leukaemia and acute lymphoblastic leukaemia: a review. Expert Opin Pharmacother. 2005 Dec;6(15):2711-8.@@Takahashi T, Kanazawa J, Akinaga S, Tamaoki T, Okabe M: Antitumor activity of 2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl) adenine, a novel deoxyadenosine analog, against human colon tumor xenografts by oral administration. Cancer Chemother Pharmacol. 1999;43(3):233-40.@@Hartman WR, Hentosh P: The antileukemia drug 2-chloro-2'-deoxyadenosine: an intrinsic transcriptional antagonist. Mol Pharmacol. 2004 Jan;65(1):227-34." Approved; Investigational Purine 2'-deoxyribonucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides" "Myelosuppressive Agents; Ribonucleosides; Purines; Nucleosides; Antimetabolites; Purine Antimetabolite; Cardiotoxic antineoplastic agents; Immunologic Factors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Deoxyribonucleosides; Selective Immunosuppressants; Deoxyadenosines; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; 2-Chloroadenosine; Narrow Therapeutic Index Drugs; Purine Analogues" NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1 1739 46504588 D01370 PA449027 DAP000565 Cladribine CHEMBL1619 44157 DB00242 Cladribine BE0003614 POLE Q07864 DPOE1_HUMAN inhibitor 19576186 "Zhenchuk A, Lotfi K, Juliusson G, Albertioni F: Mechanisms of anti-cancer action and pharmacology of clofarabine. Biochem Pharmacol. 2009 Dec 1;78(11):1351-9. doi: 10.1016/j.bcp.2009.06.094. Epub 2009 Jul 1." Approved; Investigational Purine 2'-deoxyribonucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides" "Myelosuppressive Agents; Ribonucleosides; Purines; Nucleosides; Antimetabolites; Purine Antimetabolite; Cardiotoxic antineoplastic agents; Immunologic Factors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Deoxyribonucleosides; Selective Immunosuppressants; Deoxyadenosines; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; 2-Chloroadenosine; Narrow Therapeutic Index Drugs; Purine Analogues" NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1 1739 46504588 D01370 PA449027 DAP000565 Cladribine CHEMBL1619 44157 DB00242 Cladribine BE0003615 POLE2 P56282 DPOE2_HUMAN inhibitor 19576186 "Zhenchuk A, Lotfi K, Juliusson G, Albertioni F: Mechanisms of anti-cancer action and pharmacology of clofarabine. Biochem Pharmacol. 2009 Dec 1;78(11):1351-9. doi: 10.1016/j.bcp.2009.06.094. Epub 2009 Jul 1." Approved; Investigational Purine 2'-deoxyribonucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides" "Myelosuppressive Agents; Ribonucleosides; Purines; Nucleosides; Antimetabolites; Purine Antimetabolite; Cardiotoxic antineoplastic agents; Immunologic Factors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Deoxyribonucleosides; Selective Immunosuppressants; Deoxyadenosines; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; 2-Chloroadenosine; Narrow Therapeutic Index Drugs; Purine Analogues" NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1 1739 46504588 D01370 PA449027 DAP000565 Cladribine CHEMBL1619 44157 DB00242 Cladribine BE0003616 POLE4 Q9NR33 DPOE4_HUMAN inhibitor 19576186 "Zhenchuk A, Lotfi K, Juliusson G, Albertioni F: Mechanisms of anti-cancer action and pharmacology of clofarabine. Biochem Pharmacol. 2009 Dec 1;78(11):1351-9. doi: 10.1016/j.bcp.2009.06.094. Epub 2009 Jul 1." Approved; Investigational Purine 2'-deoxyribonucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides" "Myelosuppressive Agents; Ribonucleosides; Purines; Nucleosides; Antimetabolites; Purine Antimetabolite; Cardiotoxic antineoplastic agents; Immunologic Factors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Deoxyribonucleosides; Selective Immunosuppressants; Deoxyadenosines; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; 2-Chloroadenosine; Narrow Therapeutic Index Drugs; Purine Analogues" NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1 1739 46504588 D01370 PA449027 DAP000565 Cladribine CHEMBL1619 44157 DB00242 Cladribine BE0000250 PNP P00491 PNPH_HUMAN inducer 8521855; 10444166; 10500836; 3260648; 6808516 "Bzowska A, Kazimierczuk Z: 2-Chloro-2'-deoxyadenosine (cladribine) and its analogues are good substrates and potent selective inhibitors of Escherichia coli purine-nucleoside phosphorylase. Eur J Biochem. 1995 Nov 1;233(3):886-90.@@Dumontet C, Fabianowska-Majewska K, Mantincic D, Callet Bauchu E, Tigaud I, Gandhi V, Lepoivre M, Peters GJ, Rolland MO, Wyczechowska D, Fang X, Gazzo S, Voorn DA, Vanier-Viornery A, MacKey J: Common resistance mechanisms to deoxynucleoside analogues in variants of the human erythroleukaemic line K562. Br J Haematol. 1999 Jul;106(1):78-85.@@Dumontet C, Bauchu EC, Fabianowska K, Lepoivre M, Wyczechowska D, Bodin F, Rolland MO: Common resistance mechanisms to nucleoside analogues in variants of the human erythroleukemic line K562. Adv Exp Med Biol. 1999;457:571-7.@@Takimoto T, Kubota M, Tsuruta S, Kitoh T, Tanizawa A, Akiyama Y, Kiriyama Y, Mikawa H: Changes in sensitivity to anticancer drugs during TPA-induced cellular differentiation in a human T-lymphoblastoid cell line (MOLT-4). Leukemia. 1988 Jul;2(7):443-6.@@Carson DA, Wasson DB, Lakow E, Kamatani N: Possible metabolic basis for the different immunodeficient states associated with genetic deficiencies of adenosine deaminase and purine nucleoside phosphorylase. Proc Natl Acad Sci U S A. 1982 Jun;79(12):3848-52." Approved; Investigational Purine 2'-deoxyribonucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides" "Myelosuppressive Agents; Ribonucleosides; Purines; Nucleosides; Antimetabolites; Purine Antimetabolite; Cardiotoxic antineoplastic agents; Immunologic Factors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Deoxyribonucleosides; Selective Immunosuppressants; Deoxyadenosines; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; 2-Chloroadenosine; Narrow Therapeutic Index Drugs; Purine Analogues" NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1 1739 46504588 D01370 PA449027 DAP000565 Cladribine CHEMBL1619 44157 DB00243 Ranolazine BE0009631 KCNJ12 P48050 KCNJ4_HUMAN inhibitor 26459200; 26979079 "Saad M, Mahmoud A, Elgendy IY, Richard Conti C: Ranolazine in Cardiac Arrhythmia. Clin Cardiol. 2016 Mar;39(3):170-8. doi: 10.1002/clc.22476. Epub 2015 Oct 13.@@Rayner-Hartley E, Sedlak T: Ranolazine: A Contemporary Review. J Am Heart Assoc. 2016 Mar 15;5(3):e003196. doi: 10.1161/JAHA.116.003196." Approved; Investigational Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles Sodium Channel Blockers; Cytochrome P-450 CYP2D6 Inhibitors; Miscellaneous Cardiac Drugs; OCT2 Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); MATE 1 Inhibitors; Cardiovascular Agents; Acetamides; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Vasodilating Agents; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; MATE 2 Inhibitors; Cardiac Therapy; Antianginal Agents; Moderate Risk QTc-Prolonging Agents COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1 23546 46505145 PA164746007 DAP000875 Ranolazine CHEMBL1404 35829 DB00243 Ranolazine BE0009739 CACNA1C O00305 CACB4_HUMAN inhibitor 26459200; 23472826; 16520744; 26185330 "Saad M, Mahmoud A, Elgendy IY, Richard Conti C: Ranolazine in Cardiac Arrhythmia. Clin Cardiol. 2016 Mar;39(3):170-8. doi: 10.1002/clc.22476. Epub 2015 Oct 13.@@Peters CH, Sokolov S, Rajamani S, Ruben PC: Effects of the antianginal drug, ranolazine, on the brain sodium channel Na(V)1.2 and its modulation by extracellular protons. Br J Pharmacol. 2013 Jun;169(3):704-16. doi: 10.1111/bph.12150.@@Fredj S, Sampson KJ, Liu H, Kass RS: Molecular basis of ranolazine block of LQT-3 mutant sodium channels: evidence for site of action. Br J Pharmacol. 2006 May;148(1):16-24. doi: 10.1038/sj.bjp.0706709.@@Neshatian L, Strege PR, Rhee PL, Kraichely RE, Mazzone A, Bernard CE, Cima RR, Larson DW, Dozois EJ, Kline CF, Mohler PJ, Beyder A, Farrugia G: Ranolazine inhibits voltage-gated mechanosensitive sodium channels in human colon circular smooth muscle cells. Am J Physiol Gastrointest Liver Physiol. 2015 Sep 15;309(6):G506-12. doi: 10.1152/ajpgi.00051.2015. Epub 2015 Jul 16." Approved; Investigational Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles Sodium Channel Blockers; Cytochrome P-450 CYP2D6 Inhibitors; Miscellaneous Cardiac Drugs; OCT2 Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); MATE 1 Inhibitors; Cardiovascular Agents; Acetamides; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Vasodilating Agents; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; MATE 2 Inhibitors; Cardiac Therapy; Antianginal Agents; Moderate Risk QTc-Prolonging Agents COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1 23546 46505145 PA164746007 DAP000875 Ranolazine CHEMBL1404 35829 DB00243 Ranolazine BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist 26979079; 26655634; 21633249 "Rayner-Hartley E, Sedlak T: Ranolazine: A Contemporary Review. J Am Heart Assoc. 2016 Mar 15;5(3):e003196. doi: 10.1161/JAHA.116.003196.@@Virsolvy A, Farah C, Pertuit N, Kong L, Lacampagne A, Reboul C, Aimond F, Richard S: Antagonism of Nav channels and alpha1-adrenergic receptors contributes to vascular smooth muscle effects of ranolazine. Sci Rep. 2015 Dec 10;5:17969. doi: 10.1038/srep17969.@@Zhao G, Walsh E, Shryock JC, Messina E, Wu Y, Zeng D, Xu X, Ochoa M, Baker SP, Hintze TH, Belardinelli L: Antiadrenergic and hemodynamic effects of ranolazine in conscious dogs. J Cardiovasc Pharmacol. 2011 Jun;57(6):639-47. doi: 10.1097/FJC.0b013e31821458e8." Approved; Investigational Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles Sodium Channel Blockers; Cytochrome P-450 CYP2D6 Inhibitors; Miscellaneous Cardiac Drugs; OCT2 Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); MATE 1 Inhibitors; Cardiovascular Agents; Acetamides; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Vasodilating Agents; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; MATE 2 Inhibitors; Cardiac Therapy; Antianginal Agents; Moderate Risk QTc-Prolonging Agents COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1 23546 46505145 PA164746007 DAP000875 Ranolazine CHEMBL1404 35829 DB00244 Mesalazine BE0000215 PPARG P37231 PPARG_HUMAN agonist 15824083; 18544567; 18077625; 16939423 "Rousseaux C, Lefebvre B, Dubuquoy L, Lefebvre P, Romano O, Auwerx J, Metzger D, Wahli W, Desvergne B, Naccari GC, Chavatte P, Farce A, Bulois P, Cortot A, Colombel JF, Desreumaux P: Intestinal antiinflammatory effect of 5-aminosalicylic acid is dependent on peroxisome proliferator-activated receptor-gamma. J Exp Med. 2005 Apr 18;201(8):1205-15. Epub 2005 Apr 11.@@Schwab M, Reynders V, Loitsch S, Shastri YM, Steinhilber D, Schroder O, Stein J: PPARgamma is involved in mesalazine-mediated induction of apoptosis and inhibition of cell growth in colon cancer cells. Carcinogenesis. 2008 Jul;29(7):1407-14. doi: 10.1093/carcin/bgn118. Epub 2008 Jun 9.@@Linard C, Gremy O, Benderitter M: Reduction of peroxisome proliferation-activated receptor gamma expression by gamma-irradiation as a mechanism contributing to inflammatory response in rat colon: modulation by the 5-aminosalicylic acid agonist. J Pharmacol Exp Ther. 2008 Mar;324(3):911-20. Epub 2007 Dec 12.@@Desreumaux P, Ghosh S: Review article: mode of action and delivery of 5-aminosalicylic acid - new evidence. Aliment Pharmacol Ther. 2006 Sep;24 Suppl 1:2-9." Approved Aminobenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Aminosalicylate; Aminosalicylic Acids; Agents causing hyperkalemia; Anti-Inflammatory Agents; OATP1B3 substrates; Phenols; Salicylates; Analgesics, Non-Narcotic; OATP1B1/SLCO1B1 Substrates; OATP2B1/SLCO2B1 substrates; Nephrotoxic agents; Agents that produce hypertension; Hydroxybenzoates; Benzene Derivatives; Analgesics; Intestinal Antiinflammatory Agents" NC1=CC(C(O)=O)=C(O)C=C1 14088 46509142 D00377 PA450384 DAP000729 Mesalazine CHEMBL704 52582 DB00244 Mesalazine BE0004655 CHUK O15111 IKKA_HUMAN inhibitor 11151876; 12950415; 11054378 "Bantel H, Berg C, Vieth M, Stolte M, Kruis W, Schulze-Osthoff K: Mesalazine inhibits activation of transcription factor NF-kappaB in inflamed mucosa of patients with ulcerative colitis. Am J Gastroenterol. 2000 Dec;95(12):3452-7.@@Allgayer H: Review article: mechanisms of action of mesalazine in preventing colorectal carcinoma in inflammatory bowel disease. Aliment Pharmacol Ther. 2003 Sep;18 Suppl 2:10-4.@@Weber CK, Liptay S, Wirth T, Adler G, Schmid RM: Suppression of NF-kappaB activity by sulfasalazine is mediated by direct inhibition of IkappaB kinases alpha and beta. Gastroenterology. 2000 Nov;119(5):1209-18." Approved Aminobenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Aminosalicylate; Aminosalicylic Acids; Agents causing hyperkalemia; Anti-Inflammatory Agents; OATP1B3 substrates; Phenols; Salicylates; Analgesics, Non-Narcotic; OATP1B1/SLCO1B1 Substrates; OATP2B1/SLCO2B1 substrates; Nephrotoxic agents; Agents that produce hypertension; Hydroxybenzoates; Benzene Derivatives; Analgesics; Intestinal Antiinflammatory Agents" NC1=CC(C(O)=O)=C(O)C=C1 14088 46509142 D00377 PA450384 DAP000729 Mesalazine CHEMBL704 52582 DB00244 Mesalazine BE0001154 IKBKB O14920 IKKB_HUMAN inhibitor 11151876; 12950415; 11054378 "Bantel H, Berg C, Vieth M, Stolte M, Kruis W, Schulze-Osthoff K: Mesalazine inhibits activation of transcription factor NF-kappaB in inflamed mucosa of patients with ulcerative colitis. Am J Gastroenterol. 2000 Dec;95(12):3452-7.@@Allgayer H: Review article: mechanisms of action of mesalazine in preventing colorectal carcinoma in inflammatory bowel disease. Aliment Pharmacol Ther. 2003 Sep;18 Suppl 2:10-4.@@Weber CK, Liptay S, Wirth T, Adler G, Schmid RM: Suppression of NF-kappaB activity by sulfasalazine is mediated by direct inhibition of IkappaB kinases alpha and beta. Gastroenterology. 2000 Nov;119(5):1209-18." Approved Aminobenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Aminosalicylate; Aminosalicylic Acids; Agents causing hyperkalemia; Anti-Inflammatory Agents; OATP1B3 substrates; Phenols; Salicylates; Analgesics, Non-Narcotic; OATP1B1/SLCO1B1 Substrates; OATP2B1/SLCO2B1 substrates; Nephrotoxic agents; Agents that produce hypertension; Hydroxybenzoates; Benzene Derivatives; Analgesics; Intestinal Antiinflammatory Agents" NC1=CC(C(O)=O)=C(O)C=C1 14088 46509142 D00377 PA450384 DAP000729 Mesalazine CHEMBL704 52582 DB00244 Mesalazine BE0000005 NOS2 P35228 NOS2_HUMAN inhibitor 17503181 "Nandi J, Saud B, Zinkievich JM, Palma DT, Levine RA: 5-aminosalicylic acid improves indomethacin-induced enteropathy by inhibiting iNOS transcription in rats. Dig Dis Sci. 2008 Jan;53(1):123-32. Epub 2007 May 15." Approved Aminobenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Aminosalicylate; Aminosalicylic Acids; Agents causing hyperkalemia; Anti-Inflammatory Agents; OATP1B3 substrates; Phenols; Salicylates; Analgesics, Non-Narcotic; OATP1B1/SLCO1B1 Substrates; OATP2B1/SLCO2B1 substrates; Nephrotoxic agents; Agents that produce hypertension; Hydroxybenzoates; Benzene Derivatives; Analgesics; Intestinal Antiinflammatory Agents" NC1=CC(C(O)=O)=C(O)C=C1 14088 46509142 D00377 PA450384 DAP000729 Mesalazine CHEMBL704 52582 DB00245 Benzatropine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 16460947 "Kulkarni SS, Kopajtic TA, Katz JL, Newman AH: Comparative structure-activity relationships of benztropine analogues at the dopamine transporter and histamine H(1) receptors. Bioorg Med Chem. 2006 Jun 1;14(11):3625-34. Epub 2006 Feb 3." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes QTc Prolonging Agents; Histamine H1 Antagonists; Agents producing tachycardia; Cholinergic Agents; Neurotransmitter Uptake Inhibitors; Ethers of Tropine or Tropine Derivatives; Aza Compounds; Cytochrome P-450 Substrates; Histamine Antagonists; Alkaloids; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Tropanes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Anti-Parkinson Drugs; Peripheral Nervous System Agents; Histamine Receptor Antagonists; Muscarinic Antagonists; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents; Anti-Dyskinesia Agents [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(C1=CC=CC=C1)C1=CC=CC=C1)N2C 5922 46505349 D07511 PA448591 DAP001460 Benzatropine CHEMBL1201203 1424 DB00246 Ziprasidone BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 14728084; 11103883; 7562537; 11132243; 16918396; 14638642 "Stahl SM, Shayegan DK: The psychopharmacology of ziprasidone: receptor-binding properties and real-world psychiatric practice. J Clin Psychiatry. 2003;64 Suppl 19:6-12.@@Sanchez C, Arnt J: In-vivo assessment of 5-HT2A and 5-HT2C antagonistic properties of newer antipsychotics. Behav Pharmacol. 2000 Jun;11(3-4):291-8.@@Seeger TF, Seymour PA, Schmidt AW, Zorn SH, Schulz DW, Lebel LA, McLean S, Guanowsky V, Howard HR, Lowe JA 3rd, et al.: Ziprasidone (CP-88,059): a new antipsychotic with combined dopamine and serotonin receptor antagonist activity. J Pharmacol Exp Ther. 1995 Oct;275(1):101-13.@@Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Wood MD, Scott C, Clarke K, Cato KJ, Patel N, Heath J, Worby A, Gordon L, Campbell L, Riley G, Davies CH, Gribble A, Jones DN: Pharmacological profile of antipsychotics at monoamine receptors: atypicality beyond 5-HT2A receptor blockade. CNS Neurol Disord Drug Targets. 2006 Aug;5(4):445-52.@@Cates ME: Ziprasidone--not an option for serotonin syndrome. CMAJ. 2003 Nov 25;169(11):1147-8." Approved N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown) ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1 11753 46507627 D08687 PA451974 DAP000079 Ziprasidone CHEMBL708 115698 DB00246 Ziprasidone BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 17139284; 17016423; 17848919 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11." Approved N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown) ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1 11753 46507627 D08687 PA451974 DAP000079 Ziprasidone CHEMBL708 115698 DB00246 Ziprasidone BE0000476 HTR1E P28566 5HT1E_HUMAN antagonist 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown) ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1 11753 46507627 D08687 PA451974 DAP000079 Ziprasidone CHEMBL708 115698 DB00246 Ziprasidone BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown) ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1 11753 46507627 D08687 PA451974 DAP000079 Ziprasidone CHEMBL708 115698 DB00246 Ziprasidone BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11132243; 17848919 "Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11." Approved N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown) ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1 11753 46507627 D08687 PA451974 DAP000079 Ziprasidone CHEMBL708 115698 DB00246 Ziprasidone BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown) ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1 11753 46507627 D08687 PA451974 DAP000079 Ziprasidone CHEMBL708 115698 DB00246 Ziprasidone BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown) ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1 11753 46507627 D08687 PA451974 DAP000079 Ziprasidone CHEMBL708 115698 DB00246 Ziprasidone BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown) ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1 11753 46507627 D08687 PA451974 DAP000079 Ziprasidone CHEMBL708 115698 DB00247 Methysergide BE0000393 HTR2B P41595 5HT2B_HUMAN antagonist 8743744 "Schmuck K, Ullmer C, Kalkman HO, Probst A, Lubbert H: Activation of meningeal 5-HT2B receptors: an early step in the generation of migraine headache? Eur J Neurosci. 1996 May;8(5):959-67." Approved Lysergamides Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Antidepressive Agents; Cardiovascular Agents; Lysergic Acid; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Vasoconstrictor Agents; Ergolines; Ergot Alkaloids and Derivatives; Heterocyclic Compounds, Fused-Ring; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Serotonin Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" [H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)NC(CC)CO 5187 46506117 D02357 PA164743265 DAP000366 Methysergide CHEMBL485253 6911 DB00247 Methysergide BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 11752352; 12555241 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Johnson MP, Lea RA, Curtain RP, MacMillan JC, Griffiths LR: An investigation of the 5-HT2C receptor gene as a migraine candidate gene. Am J Med Genet B Neuropsychiatr Genet. 2003 Feb;117B(1):86-9." Approved Lysergamides Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Antidepressive Agents; Cardiovascular Agents; Lysergic Acid; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Vasoconstrictor Agents; Ergolines; Ergot Alkaloids and Derivatives; Heterocyclic Compounds, Fused-Ring; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Serotonin Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" [H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)NC(CC)CO 5187 46506117 D02357 PA164743265 DAP000366 Methysergide CHEMBL485253 6911 DB00247 Methysergide BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 14501155 "Sugimoto Y, Inoue K, Yamada J: The tricyclic antidepressant clomipramine increases plasma glucose levels of mice. J Pharmacol Sci. 2003 Sep;93(1):74-9." Approved Lysergamides Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Antidepressive Agents; Cardiovascular Agents; Lysergic Acid; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Vasoconstrictor Agents; Ergolines; Ergot Alkaloids and Derivatives; Heterocyclic Compounds, Fused-Ring; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Serotonin Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" [H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)NC(CC)CO 5187 46506117 D02357 PA164743265 DAP000366 Methysergide CHEMBL485253 6911 DB00247 Methysergide BE0000476 HTR1E P28566 5HT1E_HUMAN binder 8380639 "Adham N, Kao HT, Schecter LE, Bard J, Olsen M, Urquhart D, Durkin M, Hartig PR, Weinshank RL, Branchek TA: Cloning of another human serotonin receptor (5-HT1F): a fifth 5-HT1 receptor subtype coupled to the inhibition of adenylate cyclase. Proc Natl Acad Sci U S A. 1993 Jan 15;90(2):408-12." Approved Lysergamides Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Antidepressive Agents; Cardiovascular Agents; Lysergic Acid; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Vasoconstrictor Agents; Ergolines; Ergot Alkaloids and Derivatives; Heterocyclic Compounds, Fused-Ring; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Serotonin Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" [H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)NC(CC)CO 5187 46506117 D02357 PA164743265 DAP000366 Methysergide CHEMBL485253 6911 DB00248 Cabergoline BE0000393 HTR2B P41595 5HT2B_HUMAN agonist 18691132; 10641988; 20426763; 18992242; 19570945 "Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.@@Sharif NA: Serotonin-2 receptor agonists as novel ocular hypotensive agents and their cellular and molecular mechanisms of action. Curr Drug Targets. 2010 Aug;11(8):978-93.@@Sharif NA, McLaughlin MA, Kelly CR, Katoli P, Drace C, Husain S, Crosson C, Toris C, Zhan GL, Camras C: Cabergoline: Pharmacology, ocular hypotensive studies in multiple species, and aqueous humor dynamic modulation in the Cynomolgus monkey eyes. Exp Eye Res. 2009 Mar;88(3):386-97. doi: 10.1016/j.exer.2008.10.003. Epub 2008 Nov 1.@@Huang XP, Setola V, Yadav PN, Allen JA, Rogan SC, Hanson BJ, Revankar C, Robers M, Doucette C, Roth BL: Parallel functional activity profiling reveals valvulopathogens are potent 5-hydroxytryptamine(2B) receptor agonists: implications for drug safety assessment. Mol Pharmacol. 2009 Oct;76(4):710-22. doi: 10.1124/mol.109.058057. Epub 2009 Jul 1." Approved Lysergic acids and derivatives Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Dopamine Agents; Anti-Dyskinesia Agents" [H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC 12006 46508571 D00987 PA448708 DAP000251 Cabergoline CHEMBL1201087 47579 DB00248 Cabergoline BE0000581 DRD3 P35462 DRD3_HUMAN agonist 18691132; 10641988; 18992242 "Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.@@Sharif NA, McLaughlin MA, Kelly CR, Katoli P, Drace C, Husain S, Crosson C, Toris C, Zhan GL, Camras C: Cabergoline: Pharmacology, ocular hypotensive studies in multiple species, and aqueous humor dynamic modulation in the Cynomolgus monkey eyes. Exp Eye Res. 2009 Mar;88(3):386-97. doi: 10.1016/j.exer.2008.10.003. Epub 2008 Nov 1." Approved Lysergic acids and derivatives Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Dopamine Agents; Anti-Dyskinesia Agents" [H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC 12006 46508571 D00987 PA448708 DAP000251 Cabergoline CHEMBL1201087 47579 DB00248 Cabergoline BE0000533 HTR2C P28335 5HT2C_HUMAN agonist 18691132; 10641988; 20426763; 18992242 "Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.@@Sharif NA: Serotonin-2 receptor agonists as novel ocular hypotensive agents and their cellular and molecular mechanisms of action. Curr Drug Targets. 2010 Aug;11(8):978-93.@@Sharif NA, McLaughlin MA, Kelly CR, Katoli P, Drace C, Husain S, Crosson C, Toris C, Zhan GL, Camras C: Cabergoline: Pharmacology, ocular hypotensive studies in multiple species, and aqueous humor dynamic modulation in the Cynomolgus monkey eyes. Exp Eye Res. 2009 Mar;88(3):386-97. doi: 10.1016/j.exer.2008.10.003. Epub 2008 Nov 1." Approved Lysergic acids and derivatives Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Dopamine Agents; Anti-Dyskinesia Agents" [H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC 12006 46508571 D00987 PA448708 DAP000251 Cabergoline CHEMBL1201087 47579 DB00248 Cabergoline BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 18992242 "Sharif NA, McLaughlin MA, Kelly CR, Katoli P, Drace C, Husain S, Crosson C, Toris C, Zhan GL, Camras C: Cabergoline: Pharmacology, ocular hypotensive studies in multiple species, and aqueous humor dynamic modulation in the Cynomolgus monkey eyes. Exp Eye Res. 2009 Mar;88(3):386-97. doi: 10.1016/j.exer.2008.10.003. Epub 2008 Nov 1." Approved Lysergic acids and derivatives Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Dopamine Agents; Anti-Dyskinesia Agents" [H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC 12006 46508571 D00987 PA448708 DAP000251 Cabergoline CHEMBL1201087 47579 DB00248 Cabergoline BE0000715 ADRA1D P25100 ADA1D_HUMAN binder 12388666 "Millan MJ, Maiofiss L, Cussac D, Audinot V, Boutin JA, Newman-Tancredi A: Differential actions of antiparkinson agents at multiple classes of monoaminergic receptor. I. A multivariate analysis of the binding profiles of 14 drugs at 21 native and cloned human receptor subtypes. J Pharmacol Exp Ther. 2002 Nov;303(2):791-804." Approved Lysergic acids and derivatives Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Dopamine Agents; Anti-Dyskinesia Agents" [H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC 12006 46508571 D00987 PA448708 DAP000251 Cabergoline CHEMBL1201087 47579 DB00252 Phenytoin BE0008715 CACNA1C O00555 CAC1A_HUMAN inhibitor 28349209 Keppel Hesselink JM: Phenytoin: a step by step insight into its multiple mechanisms of action-80 years of mechanistic studies in neuropharmacology. J Neurol. 2017 Sep;264(9):2043-2047. doi: 10.1007/s00415-017-8465-4. Epub 2017 Mar 27. Approved; Vet_approved Phenylhydantoins Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Imidazolidines; UGT1A4 substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong); Phenytoin and Prodrugs; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A5 Inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates; UGT1A6 substrate; Sodium Channel Blockers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers (strong); UGT1A9 Inhibitors; Imidazoles; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A7 Inducers (weak); COMT Substrates; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; UGT1A1 Inducers; UGT1A6 Inhibitors; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 CYP2C8 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Inducers (moderate); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strong); UGT1A6 Substrates with a Narrow Therapeutic Index; Voltage-Gated Sodium Channel Blockers; Hydantoins; Central Nervous System Agents; UGT1A1 Substrates; Inducers of Drug Clearance; Cytochrome P-450 CYP3A5 Inducers (strength unknown) O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 Fosphenytoin (Antiarrhythmic) Action Pathway; Fosphenytoin (Antiarrhythmic) Metabolism Pathway; Phenytoin (Antiarrhythmic) Action Pathway drug_metabolism; drug_action 10209 46508847 D00512 PA450947 DAP000130 Phenytoin CHEMBL16 8183 DB00252 Phenytoin BE0002081 SCN2A Q99250 SCN2A_HUMAN inhibitor 15805193 "Tate SK, Depondt C, Sisodiya SM, Cavalleri GL, Schorge S, Soranzo N, Thom M, Sen A, Shorvon SD, Sander JW, Wood NW, Goldstein DB: Genetic predictors of the maximum doses patients receive during clinical use of the anti-epileptic drugs carbamazepine and phenytoin. Proc Natl Acad Sci U S A. 2005 Apr 12;102(15):5507-12. Epub 2005 Apr 1." Approved; Vet_approved Phenylhydantoins Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Imidazolidines; UGT1A4 substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong); Phenytoin and Prodrugs; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A5 Inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates; UGT1A6 substrate; Sodium Channel Blockers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers (strong); UGT1A9 Inhibitors; Imidazoles; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A7 Inducers (weak); COMT Substrates; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; UGT1A1 Inducers; UGT1A6 Inhibitors; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 CYP2C8 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Inducers (moderate); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strong); UGT1A6 Substrates with a Narrow Therapeutic Index; Voltage-Gated Sodium Channel Blockers; Hydantoins; Central Nervous System Agents; UGT1A1 Substrates; Inducers of Drug Clearance; Cytochrome P-450 CYP3A5 Inducers (strength unknown) O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 Fosphenytoin (Antiarrhythmic) Action Pathway; Fosphenytoin (Antiarrhythmic) Metabolism Pathway; Phenytoin (Antiarrhythmic) Action Pathway drug_metabolism; drug_action 10209 46508847 D00512 PA450947 DAP000130 Phenytoin CHEMBL16 8183 DB00252 Phenytoin BE0002084 SCN8A Q9UQD0 SCN8A_HUMAN inhibitor 15805193 "Tate SK, Depondt C, Sisodiya SM, Cavalleri GL, Schorge S, Soranzo N, Thom M, Sen A, Shorvon SD, Sander JW, Wood NW, Goldstein DB: Genetic predictors of the maximum doses patients receive during clinical use of the anti-epileptic drugs carbamazepine and phenytoin. Proc Natl Acad Sci U S A. 2005 Apr 12;102(15):5507-12. Epub 2005 Apr 1." Approved; Vet_approved Phenylhydantoins Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Imidazolidines; UGT1A4 substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong); Phenytoin and Prodrugs; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A5 Inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates; UGT1A6 substrate; Sodium Channel Blockers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers (strong); UGT1A9 Inhibitors; Imidazoles; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A7 Inducers (weak); COMT Substrates; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; UGT1A1 Inducers; UGT1A6 Inhibitors; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 CYP2C8 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Inducers (moderate); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strong); UGT1A6 Substrates with a Narrow Therapeutic Index; Voltage-Gated Sodium Channel Blockers; Hydantoins; Central Nervous System Agents; UGT1A1 Substrates; Inducers of Drug Clearance; Cytochrome P-450 CYP3A5 Inducers (strength unknown) O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 Fosphenytoin (Antiarrhythmic) Action Pathway; Fosphenytoin (Antiarrhythmic) Metabolism Pathway; Phenytoin (Antiarrhythmic) Action Pathway drug_metabolism; drug_action 10209 46508847 D00512 PA450947 DAP000130 Phenytoin CHEMBL16 8183 DB00252 Phenytoin BE0002082 SCN3A Q9NY46 SCN3A_HUMAN 15922564; 15805193 "Lucas PT, Meadows LS, Nicholls J, Ragsdale DS: An epilepsy mutation in the beta1 subunit of the voltage-gated sodium channel results in reduced channel sensitivity to phenytoin. Epilepsy Res. 2005 May;64(3):77-84.@@Tate SK, Depondt C, Sisodiya SM, Cavalleri GL, Schorge S, Soranzo N, Thom M, Sen A, Shorvon SD, Sander JW, Wood NW, Goldstein DB: Genetic predictors of the maximum doses patients receive during clinical use of the anti-epileptic drugs carbamazepine and phenytoin. Proc Natl Acad Sci U S A. 2005 Apr 12;102(15):5507-12. Epub 2005 Apr 1." Approved; Vet_approved Phenylhydantoins Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Imidazolidines; UGT1A4 substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong); Phenytoin and Prodrugs; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A5 Inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates; UGT1A6 substrate; Sodium Channel Blockers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers (strong); UGT1A9 Inhibitors; Imidazoles; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A7 Inducers (weak); COMT Substrates; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; UGT1A1 Inducers; UGT1A6 Inhibitors; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 CYP2C8 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Inducers (moderate); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strong); UGT1A6 Substrates with a Narrow Therapeutic Index; Voltage-Gated Sodium Channel Blockers; Hydantoins; Central Nervous System Agents; UGT1A1 Substrates; Inducers of Drug Clearance; Cytochrome P-450 CYP3A5 Inducers (strength unknown) O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 Fosphenytoin (Antiarrhythmic) Action Pathway; Fosphenytoin (Antiarrhythmic) Metabolism Pathway; Phenytoin (Antiarrhythmic) Action Pathway drug_metabolism; drug_action 10209 46508847 D00512 PA450947 DAP000130 Phenytoin CHEMBL16 8183 DB00253 Medrysone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 6336597; 11752352; 15634032 "Southren AL, Dominguez MO, Gordon GG, Wenk EJ, Hernandez MR, Dunn MW, Weinstein BI: Nuclear translocation of the cytoplasmic glucocorticoid receptor in the iris-ciliary body and adjacent corneoscleral tissue of the rabbit following topical administration of various glucocorticoids. A rapid screening method for glucocorticoid activity. Invest Ophthalmol Vis Sci. 1983 Feb;24(2):147-52.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Czock D, Keller F, Rasche FM, Haussler U: Pharmacokinetics and pharmacodynamics of systemically administered glucocorticoids. Clin Pharmacokinet. 2005;44(1):61-98. doi: 10.2165/00003088-200544010-00003." Approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Pregnenes; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C 7537 46506584 D02289 PA450346 DAP001048 Medrysone CHEMBL1201173 29439 DB00255 Diethylstilbestrol BE0000792 ESR2 Q92731 ESR2_HUMAN agonist 19101832; 15123288 "Authors unspecified: Final amended report on the safety assessment of Methylparaben, Ethylparaben, Propylparaben, Isopropylparaben, Butylparaben, Isobutylparaben, and Benzylparaben as used in cosmetic products. Int J Toxicol. 2008;27 Suppl 4:1-82. doi: 10.1080/10915810802548359.@@Geistlinger TR, McReynolds AC, Guy RK: Ligand-selective inhibition of the interaction of steroid receptor coactivators and estrogen receptor isoforms. Chem Biol. 2004 Feb;11(2):273-81." Approved; Investigational; Withdrawn "OATP1B1/SLCO1B1 Inhibitors; Stilbenes; Cytochrome P-450 CYP2E1 Inhibitors (strong); Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Noxae; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Estrogen Contraceptives; Hormones; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Contraceptives, Postcoital; COMT Substrates; Thyroxine-binding globulin inducers; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Substrates; Synthetic Estrogens, Plain; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Antineoplastic and Immunomodulating Agents; Stilbestrols; Endocrine Therapy; Estrogens; Hormones and Related Agents; Antineoplastic Agents, Hormonal; Toxic Actions; Contraceptive Agents, Female; Carcinogens; Hormones, Hormone Substitutes, and Hormone Antagonists" CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 7380 46507453 D00577 PA449307 DAP001011 Diethylstilbestrol CHEMBL411 3390 DB00255 Diethylstilbestrol BE0000123 ESR1 P03372 ESR1_HUMAN agonist 17306201; 17308373; 17314305; 17317669; 17320868; 20387803; 11752352 "Munoz G, Ovilo C, Estelle J, Silio L, Fernandez A, Rodriguez C: Association with litter size of new polymorphisms on ESR1 and ESR2 genes in a Chinese-European pig line. Genet Sel Evol. 2007 Mar-Apr;39(2):195-206. Epub 2007 Feb 17.@@Dixon A, Wells CC, Singh S, Babayan R, Maric C: Renoprotective effects of a selective estrogen receptor modulator, raloxifene, in an animal model of diabetic nephropathy. Am J Nephrol. 2007;27(2):120-8. Epub 2007 Feb 15.@@Hart SA, Snyder MA, Smejkalova T, Woolley CS: Estrogen mobilizes a subset of estrogen receptor-alpha-immunoreactive vesicles in inhibitory presynaptic boutons in hippocampal CA1. J Neurosci. 2007 Feb 21;27(8):2102-11.@@Baron S, Escande A, Alberola G, Bystricky K, Balaguer P, Richard-Foy H: Estrogen receptor alpha and the activating protein-1 complex cooperate during insulin-like growth factor-I-induced transcriptional activation of the pS2/TFF1 gene. J Biol Chem. 2007 Apr 20;282(16):11732-41. Epub 2007 Feb 22.@@Bains M, Cousins JC, Roberts JL: Neuroprotection by estrogen against MPP+-induced dopamine neuron death is mediated by ERalpha in primary cultures of mouse mesencephalon. Exp Neurol. 2007 Apr;204(2):767-76. Epub 2007 Jan 25.@@Kwok KC, Cheung NH: Measuring binding kinetics of ligands with tethered receptors by fluorescence polarization and total internal reflection fluorescence. Anal Chem. 2010 May 1;82(9):3819-25. doi: 10.1021/ac1002245.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Withdrawn "OATP1B1/SLCO1B1 Inhibitors; Stilbenes; Cytochrome P-450 CYP2E1 Inhibitors (strong); Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Noxae; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Estrogen Contraceptives; Hormones; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Contraceptives, Postcoital; COMT Substrates; Thyroxine-binding globulin inducers; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Substrates; Synthetic Estrogens, Plain; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Antineoplastic and Immunomodulating Agents; Stilbestrols; Endocrine Therapy; Estrogens; Hormones and Related Agents; Antineoplastic Agents, Hormonal; Toxic Actions; Contraceptive Agents, Female; Carcinogens; Hormones, Hormone Substitutes, and Hormone Antagonists" CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 7380 46507453 D00577 PA449307 DAP001011 Diethylstilbestrol CHEMBL411 3390 DB00255 Diethylstilbestrol BE0002088 ESRRG P62508 ERR3_HUMAN agonist 15161930; 10592235; 11297507 "Greschik H, Flaig R, Renaud JP, Moras D: Structural basis for the deactivation of the estrogen-related receptor gamma by diethylstilbestrol or 4-hydroxytamoxifen and determinants of selectivity. J Biol Chem. 2004 Aug 6;279(32):33639-46. Epub 2004 May 24.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Tremblay GB, Kunath T, Bergeron D, Lapointe L, Champigny C, Bader JA, Rossant J, Giguere V: Diethylstilbestrol regulates trophoblast stem cell differentiation as a ligand of orphan nuclear receptor ERR beta. Genes Dev. 2001 Apr 1;15(7):833-8." Approved; Investigational; Withdrawn "OATP1B1/SLCO1B1 Inhibitors; Stilbenes; Cytochrome P-450 CYP2E1 Inhibitors (strong); Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Noxae; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Estrogen Contraceptives; Hormones; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Contraceptives, Postcoital; COMT Substrates; Thyroxine-binding globulin inducers; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Substrates; Synthetic Estrogens, Plain; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Antineoplastic and Immunomodulating Agents; Stilbestrols; Endocrine Therapy; Estrogens; Hormones and Related Agents; Antineoplastic Agents, Hormonal; Toxic Actions; Contraceptive Agents, Female; Carcinogens; Hormones, Hormone Substitutes, and Hormone Antagonists" CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 7380 46507453 D00577 PA449307 DAP001011 Diethylstilbestrol CHEMBL411 3390 DB00255 Diethylstilbestrol BE0003722 ESRRA P11474 ERR1_HUMAN 11297507 "Tremblay GB, Kunath T, Bergeron D, Lapointe L, Champigny C, Bader JA, Rossant J, Giguere V: Diethylstilbestrol regulates trophoblast stem cell differentiation as a ligand of orphan nuclear receptor ERR beta. Genes Dev. 2001 Apr 1;15(7):833-8." Approved; Investigational; Withdrawn "OATP1B1/SLCO1B1 Inhibitors; Stilbenes; Cytochrome P-450 CYP2E1 Inhibitors (strong); Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Noxae; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Estrogen Contraceptives; Hormones; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Contraceptives, Postcoital; COMT Substrates; Thyroxine-binding globulin inducers; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Substrates; Synthetic Estrogens, Plain; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Antineoplastic and Immunomodulating Agents; Stilbestrols; Endocrine Therapy; Estrogens; Hormones and Related Agents; Antineoplastic Agents, Hormonal; Toxic Actions; Contraceptive Agents, Female; Carcinogens; Hormones, Hormone Substitutes, and Hormone Antagonists" CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 7380 46507453 D00577 PA449307 DAP001011 Diethylstilbestrol CHEMBL411 3390 DB00255 Diethylstilbestrol BE0005001 ESRRB O95718 ERR2_HUMAN 11297507 "Tremblay GB, Kunath T, Bergeron D, Lapointe L, Champigny C, Bader JA, Rossant J, Giguere V: Diethylstilbestrol regulates trophoblast stem cell differentiation as a ligand of orphan nuclear receptor ERR beta. Genes Dev. 2001 Apr 1;15(7):833-8." Approved; Investigational; Withdrawn "OATP1B1/SLCO1B1 Inhibitors; Stilbenes; Cytochrome P-450 CYP2E1 Inhibitors (strong); Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Noxae; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Estrogen Contraceptives; Hormones; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Contraceptives, Postcoital; COMT Substrates; Thyroxine-binding globulin inducers; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Substrates; Synthetic Estrogens, Plain; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Antineoplastic and Immunomodulating Agents; Stilbestrols; Endocrine Therapy; Estrogens; Hormones and Related Agents; Antineoplastic Agents, Hormonal; Toxic Actions; Contraceptive Agents, Female; Carcinogens; Hormones, Hormone Substitutes, and Hormone Antagonists" CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 7380 46507453 D00577 PA449307 DAP001011 Diethylstilbestrol CHEMBL411 3390 DB00255 Diethylstilbestrol BE0003740 NCOA2 Q15596 NCOA2_HUMAN 15123288 "Geistlinger TR, McReynolds AC, Guy RK: Ligand-selective inhibition of the interaction of steroid receptor coactivators and estrogen receptor isoforms. Chem Biol. 2004 Feb;11(2):273-81." Approved; Investigational; Withdrawn "OATP1B1/SLCO1B1 Inhibitors; Stilbenes; Cytochrome P-450 CYP2E1 Inhibitors (strong); Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Noxae; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Estrogen Contraceptives; Hormones; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Contraceptives, Postcoital; COMT Substrates; Thyroxine-binding globulin inducers; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Substrates; Synthetic Estrogens, Plain; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Antineoplastic and Immunomodulating Agents; Stilbestrols; Endocrine Therapy; Estrogens; Hormones and Related Agents; Antineoplastic Agents, Hormonal; Toxic Actions; Contraceptive Agents, Female; Carcinogens; Hormones, Hormone Substitutes, and Hormone Antagonists" CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 7380 46507453 D00577 PA449307 DAP001011 Diethylstilbestrol CHEMBL411 3390 DB00255 Diethylstilbestrol BE0000132 AR P10275 ANDR_HUMAN antagonist 16876421 "Tamura H, Ishimoto Y, Fujikawa T, Aoyama H, Yoshikawa H, Akamatsu M: Structural basis for androgen receptor agonists and antagonists: interaction of SPEED 98-listed chemicals and related compounds with the androgen receptor based on an in vitro reporter gene assay and 3D-QSAR. Bioorg Med Chem. 2006 Nov 1;14(21):7160-74. Epub 2006 Jul 28." Approved; Investigational; Withdrawn "OATP1B1/SLCO1B1 Inhibitors; Stilbenes; Cytochrome P-450 CYP2E1 Inhibitors (strong); Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Noxae; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Estrogen Contraceptives; Hormones; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Contraceptives, Postcoital; COMT Substrates; Thyroxine-binding globulin inducers; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Substrates; Synthetic Estrogens, Plain; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Antineoplastic and Immunomodulating Agents; Stilbestrols; Endocrine Therapy; Estrogens; Hormones and Related Agents; Antineoplastic Agents, Hormonal; Toxic Actions; Contraceptive Agents, Female; Carcinogens; Hormones, Hormone Substitutes, and Hormone Antagonists" CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 7380 46507453 D00577 PA449307 DAP001011 Diethylstilbestrol CHEMBL411 3390 DB00255 Diethylstilbestrol BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Approved; Investigational; Withdrawn "OATP1B1/SLCO1B1 Inhibitors; Stilbenes; Cytochrome P-450 CYP2E1 Inhibitors (strong); Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Noxae; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Estrogen Contraceptives; Hormones; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Contraceptives, Postcoital; COMT Substrates; Thyroxine-binding globulin inducers; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Substrates; Synthetic Estrogens, Plain; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Antineoplastic and Immunomodulating Agents; Stilbestrols; Endocrine Therapy; Estrogens; Hormones and Related Agents; Antineoplastic Agents, Hormonal; Toxic Actions; Contraceptive Agents, Female; Carcinogens; Hormones, Hormone Substitutes, and Hormone Antagonists" CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 7380 46507453 D00577 PA449307 DAP001011 Diethylstilbestrol CHEMBL411 3390 DB00261 Anagrelide BE0000436 PDE3A Q14432 PDE3A_HUMAN inhibitor 2846839; 31598394 "Venuti MC, Stephenson RA, Alvarez R, Bruno JJ, Strosberg AM: Inhibitors of cyclic AMP phosphodiesterase. 3. Synthesis and biological evaluation of pyrido and imidazolyl analogues of 1,2,3,5-tetrahydro-2-oxoimidazo[2,1-b]quinazoline. J Med Chem. 1988 Nov;31(11):2136-45.@@An R, Liu J, He J, Wang F, Zhang Q, Yu Q: PDE3A inhibitor anagrelide activates death signaling pathway genes and synergizes with cell death-inducing cytokines to selectively inhibit cancer cell growth. Am J Cancer Res. 2019 Sep 1;9(9):1905-1921. eCollection 2019." Approved Quinazolines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Cytochrome P-450 CYP1A2 Inhibitors (weak); QTc Prolonging Agents; Agents producing tachycardia; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Decreased Platelet Production; Cytochrome P-450 CYP1A2 Inhibitors; Antiplatelet agents; Antineoplastic Agents; Heterocyclic Compounds, Fused-Ring; Phosphodiesterase Inhibitors; Thrombocytosis; Antineoplastic and Immunomodulating Agents; Phosphodiesterase 3 Inhibitors; Platelet-reducing Agents; Highest Risk QTc-Prolonging Agents; Hematologic Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" ClC1=CC=C2N=C3NC(=O)CN3CC2=C1Cl 11707 46508863 D07455 PA164742986 DAP000612 Anagrelide CHEMBL760 596724 DB00262 Carmustine BE0000648 GSR P00390 GSHR_HUMAN inhibitor 10378469; 12477282; 1312851; 1394620; 15104113; 15321730; 3806383; 6094175 "Akella SS, Harris C: Pyridine nucleotide flux and glutathione oxidation in the cultured rat conceptus. Reprod Toxicol. 1999 May-Jun;13(3):203-13.@@Kirsch JD, Yi AK, Spitz DR, Krieg AM: Accumulation of glutathione disulfide mediates NF-kappaB activation during immune stimulation with CpG DNA. Antisense Nucleic Acid Drug Dev. 2002 Oct;12(5):327-40.@@Vallyathan V, Mega JF, Shi X, Dalal NS: Enhanced generation of free radicals from phagocytes induced by mineral dusts. Am J Respir Cell Mol Biol. 1992 Apr;6(4):404-13.@@Brodie AE, Reed DJ: Glutathione disulfide reduction in tumor mitochondria after t-butyl hydroperoxide treatment. Chem Biol Interact. 1992 Sep 28;84(2):125-32.@@Jopperi-Davis KS, Park MS, Rogers LK, Backes CH Jr, Lim IK, Smith CV: Compartmental inhibition of hepatic glutathione reductase activities by 1,3-bis(2-chloroethyl)-N-nitrosourea (BCNU) in Sprague-Dawley and Fischer-344 rats. Toxicol Lett. 2004 Mar 7;147(3):219-28.@@Doroshenko N, Doroshenko P: The glutathione reductase inhibitor carmustine induces an influx of Ca2+ in PC12 cells. Eur J Pharmacol. 2004 Aug 16;497(1):17-24.@@Powell SR, Puglia CD: Effect of inhibition of glutathione reductase by carmustine on central nervous system oxygen toxicity. J Pharmacol Exp Ther. 1987 Jan;240(1):111-7.@@Puglia CD, Powell SR: Inhibition of cellular antioxidants: a possible mechanism of toxic cell injury. Environ Health Perspect. 1984 Aug;57:307-11." Approved; Investigational Nitrosoureas Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas "Nitroso Compounds; Myelosuppressive Agents; Alkylating Activity; Amides; Noxae; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Drugs that are Mainly Renally Excreted; Nitrosourea Compounds; Antineoplastic Agents; Nitrosoureas; Antineoplastic Agents, Alkylating; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Alkylating Drugs; Narrow Therapeutic Index Drugs; Toxic Actions; Cytochrome P-450 CYP1A2 Substrates" ClCCNC(=O)N(CCCl)N=O 2418 46506980 D00254 PA448810 DAP000041 Carmustine CHEMBL513 2105 DB00264 Metoprolol BE0004872 ADRB1 P13945 ADRB3_HUMAN inhibitor 7621844 "Imai Y, Watanabe N, Hashimoto J, Nishiyama A, Sakuma H, Sekino H, Omata K, Abe K: Muscle cramps and elevated serum creatine phosphokinase levels induced by beta-adrenoceptor blockers. Eur J Clin Pharmacol. 1995;48(1):29-34. doi: 10.1007/BF00202168." Approved; Investigational Tyrosols and derivatives Organic compounds; Benzenoids; Phenols; Tyrosols and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; Beta Blocking Agents, Selective, and Thiazides; OCT2 Inhibitors; Amines; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Hypotensive Agents; Amino Alcohols; Adrenergic beta-1 Receptor Antagonists; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Alcohols; Beta-Blockers (Beta1 Selective); Drugs that are Mainly Renally Excreted; Beta Blocking Agents and Thiazides; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Beta Blocking Agents, Selective; Propanolamines; Adrenergic beta-Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Adrenergic Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" COCCC1=CC=C(OCC(O)CNC(C)C)C=C1 Metoprolol Action Pathway drug_action 2167 46506211 D02358 PA450480 DAP000481 Metoprolol CHEMBL13 6918 DB00266 Dicoumarol BE0001184 NQO1 P15559 NQO1_HUMAN inhibitor 10419545; 10683249; 10755406; 10874136; 10949919; 2113031 "Chen S, Wu K, Zhang D, Sherman M, Knox R, Yang CS: Molecular characterization of binding of substrates and inhibitors to DT-diaphorase: combined approach involving site-directed mutagenesis, inhibitor-binding analysis, and computer modeling. Mol Pharmacol. 1999 Aug;56(2):272-8.@@Jaiswal AK: Characterization and partial purification of microsomal NAD(P)H:quinone oxidoreductases. Arch Biochem Biophys. 2000 Mar 1;375(1):62-8.@@Joseph P, Jaiswal AK: A unique cytosolic activity related but distinct from NQO1 catalyses metabolic activation of mitomycin C. Br J Cancer. 2000 Apr;82(7):1305-11.@@Floreani M, Napoli E, Palatini P: Protective action of cardiac DT-diaphorase against menadione toxicity in guinea pig isolated atria. Biochem Pharmacol. 2000 Aug 15;60(4):601-5.@@Arriagada C, Dagnino-Subiabre A, Caviedes P, Armero JM, Caviedes R, Segura-Aguilar J: Studies of aminochrome toxicity in a mouse derived neuronal cell line: is this toxicity mediated via glutamate transmission? Amino Acids. 2000;18(4):363-73.@@Preusch PC, Smalley DM: Vitamin K1 2,3-epoxide and quinone reduction: mechanism and inhibition. Free Radic Res Commun. 1990;8(4-6):401-15." Approved 4-hydroxycoumarins Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins "Vitamin K Antagonists; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Enzyme Inhibitors; Blood and Blood Forming Organs; Uncoupling Agents; Anticoagulants; Hematologic Agents; Fibrinolytic Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Pyrans; Coumarins; 4-Hydroxycoumarins" OC1=C(CC2=C(O)C3=C(OC2=O)C=CC=C3)C(=O)OC2=C1C=CC=C2 Dicoumarol Action Pathway; Dicumarol Action Pathway drug_action 46505536 D03798 PA449298 DAP000768 Dicoumarol CHEMBL1466 1598 DB00268 Ropinirole BE0000581 DRD3 P35462 DRD3_HUMAN agonist 18691132; 10641988; 19503779; 19557097 "Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.@@Nashatizadeh MM, Lyons KE, Pahwa R: A review of ropinirole prolonged release in Parkinson's disease. Clin Interv Aging. 2009;4:179-86. Epub 2009 May 14.@@Shill HA, Stacy M: Update on ropinirole in the treatment of Parkinson's disease. Neuropsychiatr Dis Treat. 2009;5:33-6. Epub 2009 Apr 8." Approved; Investigational Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines "Hypotensive Agents; Nonergot-derivative Dopamine Receptor Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Central Nervous System Agents; Cytochrome P-450 Substrates; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents; Dopamine Agonists" CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1 11516 46507918 D08489 PA164749035 DAP001515 Ropinirole CHEMBL589 72302 DB00269 Chlorotrianisene BE0000123 ESR1 P03372 ESR1_HUMAN agonist 2307235; 6872937; 17236558; 11752352 "Kupfer D, Bulger WH: Inactivation of the uterine estrogen receptor binding of estradiol during P-450 catalyzed metabolism of chlorotrianisene (TACE). Speculation that TACE antiestrogenic activity involves covalent binding to the estrogen receptor. FEBS Lett. 1990 Feb 12;261(1):59-62.@@Jordan VC, Gosden B: Inhibition of the uterotropic activity of estrogens and antiestrogens by the short acting antiestrogen LY117018. Endocrinology. 1983 Aug;113(2):463-8.@@Wang JY, Xu BH, Tian LJ, Wang Y: [Clinical characteristics and potential prognostic factors of breast cancer patients with liver metastases]. Zhonghua Zhong Liu Za Zhi. 2006 Aug;28(8):612-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Investigational; Withdrawn Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Estrogens, Non-Steroidal; Stilbenes; Estrogens; Benzylidene Compounds; Antineoplastic Agents, Hormonal; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Benzene Derivatives; Natural and Semisynthetic Estrogens, Plain; Antineoplastic Agents; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" COC1=CC=C(C=C1)C(Cl)=C(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1 46508811 D00269 PA164768822 DAP001012 Chlorotrianisene CHEMBL1200761 2397 DB00270 Isradipine BE0000430 CACNA1C Q13936 CAC1C_HUMAN inhibitor 10766758; 12135765; 9607315 "Berjukow S, Marksteiner R, Gapp F, Sinnegger MJ, Hering S: Molecular mechanism of calcium channel block by isradipine. Role of a drug-induced inactivated channel conformation. J Biol Chem. 2000 Jul 21;275(29):22114-20.@@Hitzl M, Striessnig J, Neuhuber B, Flucher BE: A mutation in the beta interaction domain of the Ca(2+) channel alpha(1C) subunit reduces the affinity of the (+)-[(3)H]isradipine binding site. FEBS Lett. 2002 Jul 31;524(1-3):188-92.@@Zuhlke RD, Bouron A, Soldatov NM, Reuter H: Ca2+ channel sensitivity towards the blocker isradipine is affected by alternative splicing of the human alpha1C subunit gene. FEBS Lett. 1998 May 8;427(2):220-4." Approved; Investigational Benzoxadiazoles Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C Isradipine Action Pathway drug_action 46505034 D00349 PA450131 DAP000134 Isradipine CHEMBL1648 33910 DB00270 Isradipine BE0000691 CACNA2D1 P54289 CA2D1_HUMAN inhibitor 17016423; 17139284; 11752352 "Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Benzoxadiazoles Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C Isradipine Action Pathway drug_action 46505034 D00349 PA450131 DAP000134 Isradipine CHEMBL1648 33910 DB00270 Isradipine BE0002354 CACNB2 Q08289 CACB2_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Benzoxadiazoles Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C Isradipine Action Pathway drug_action 46505034 D00349 PA450131 DAP000134 Isradipine CHEMBL1648 33910 DB00270 Isradipine BE0000864 CACNA1H O95180 CAC1H_HUMAN inhibitor 1281221; 18974361 "Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28.@@Perez-Reyes E, Van Deusen AL, Vitko I: Molecular pharmacology of human Cav3.2 T-type Ca2+ channels: block by antihypertensives, antiarrhythmics, and their analogs. J Pharmacol Exp Ther. 2009 Feb;328(2):621-7. doi: 10.1124/jpet.108.145672. Epub 2008 Oct 30." Approved; Investigational Benzoxadiazoles Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C Isradipine Action Pathway drug_action 46505034 D00349 PA450131 DAP000134 Isradipine CHEMBL1648 33910 DB00270 Isradipine BE0002359 CACNA1D Q01668 CAC1D_HUMAN inhibitor 11285265; 19029287 "Koschak A, Reimer D, Huber I, Grabner M, Glossmann H, Engel J, Striessnig J: alpha 1D (Cav1.3) subunits can form l-type Ca2+ channels activating at negative voltages. J Biol Chem. 2001 Jun 22;276(25):22100-6. Epub 2001 Apr 2.@@Sinnegger-Brauns MJ, Huber IG, Koschak A, Wild C, Obermair GJ, Einzinger U, Hoda JC, Sartori SB, Striessnig J: Expression and 1,4-dihydropyridine-binding properties of brain L-type calcium channel isoforms. Mol Pharmacol. 2009 Feb;75(2):407-14. doi: 10.1124/mol.108.049981. Epub 2008 Nov 24." Approved; Investigational Benzoxadiazoles Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C Isradipine Action Pathway drug_action 46505034 D00349 PA450131 DAP000134 Isradipine CHEMBL1648 33910 DB00270 Isradipine BE0002355 CACNA1S Q13698 CAC1S_HUMAN inhibitor 16675661 "Peterson BZ, Catterall WA: Allosteric interactions required for high-affinity binding of dihydropyridine antagonists to Ca(V)1.1 Channels are modulated by calcium in the pore. Mol Pharmacol. 2006 Aug;70(2):667-75. Epub 2006 May 4." Approved; Investigational Benzoxadiazoles Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C Isradipine Action Pathway drug_action 46505034 D00349 PA450131 DAP000134 Isradipine CHEMBL1648 33910 DB00272 Betazole BE0000112 HRH2 P25021 HRH2_HUMAN agonist 2892392; 3661710; 2886642; 2874214; 7213132; 11752352 "Hammond JB, Offen WW: Effect of nizatidine and cimetidine on betazole-stimulated gastric secretion of normal subjects: comparison of effects on acid, water, and pepsin. Am J Gastroenterol. 1988 Jan;83(1):32-6.@@Leth R, Elander B, Haglund U, Olbe L, Fellenius E: Histamine H2-receptor of human and rabbit parietal cells. Am J Physiol. 1987 Oct;253(4 Pt 1):G497-501.@@Katz LB, Tobia AJ, Shriver DA: Effects of ORF 17583, other histamine H2-receptor antagonists and omeprazole on gastric acid secretory states in rats and dogs. J Pharmacol Exp Ther. 1987 Aug;242(2):437-42.@@Katz LB, Scott CK, Shriver DA: Pharmacological comparison of ORF 17910, a potent, long-acting histamine H2-receptor antagonist, to cimetidine and ranitidine. J Pharmacol Exp Ther. 1986 Aug;238(2):587-93.@@Ribeiro TC, Salgado JA, Castro Lde P: Effect of cimetidine on basal and betazole-stimulated gastric acid secretion in peptic ulcer. Arq Gastroenterol. 1980 Jan-Mar;17(1):4-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved 2-arylethylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines Diagnostic Agents; Histamine Agonists; Pyrazoles; Tests for Gastric Secretion; Neurotransmitter Agents; Histamine Agents; Gastrointestinal Agents NCCC1=CC=NN1 Betazole Action Pathway drug_action 46506808 PA164784036 DAP001081 Betazole CHEMBL1201323 DB00273 Topiramate BE0000795 GABRA1 P14867 GBRA1_HUMAN agonist 10768303; 25101297 "Garnett WR: Clinical pharmacology of topiramate: a review. Epilepsia. 2000;41 Suppl 1:S61-5.@@Chung JY, Kim MW, Kim M: Efficacy of zonisamide in migraineurs with nonresponse to topiramate. Biomed Res Int. 2014;2014:891348. doi: 10.1155/2014/891348. Epub 2014 Jul 2." Approved Dioxolopyrans Organic compounds; Organoheterocyclic compounds; Dioxolopyrans "Ketoses; Carbohydrates; Centrally Acting Antiobesity Products; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Hexoses; Cytochrome P-450 CYP3A4 Inducers (weak); Central Nervous System Agents; Anti-Obesity Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Monosaccharides; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Neuroprotective Agents" [H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2 11384 46508334 D00537 PA451728 DAP000137 Topiramate CHEMBL220492 38404 DB00273 Topiramate BE0009738 SCN1A Q15858 SCN9A_HUMAN inhibitor 11948006; 15526956; 12861512 "Coppola G, Capovilla G, Montagnini A, Romeo A, Spano M, Tortorella G, Veggiotti P, Viri M, Pascotto A: Topiramate as add-on drug in severe myoclonic epilepsy in infancy: an Italian multicenter open trial. Epilepsy Res. 2002 Mar;49(1):45-8.@@Ceulemans B, Boel M, Claes L, Dom L, Willekens H, Thiry P, Lagae L: Severe myoclonic epilepsy in infancy: toward an optimal treatment. J Child Neurol. 2004 Jul;19(7):516-21.@@Nieto Barrera M, Candau Fernandez Mensaque R, Nieto Jimenez M: [Severe myoclonic epilepsy in infancy (Dravet's syndrome). Its nosological characteristics and therapeutic aspects]. Rev Neurol. 2003 Jul 1-15;37(1):64-8." Approved Dioxolopyrans Organic compounds; Organoheterocyclic compounds; Dioxolopyrans "Ketoses; Carbohydrates; Centrally Acting Antiobesity Products; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Hexoses; Cytochrome P-450 CYP3A4 Inducers (weak); Central Nervous System Agents; Anti-Obesity Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Monosaccharides; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Neuroprotective Agents" [H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2 11384 46508334 D00537 PA451728 DAP000137 Topiramate CHEMBL220492 38404 DB00273 Topiramate BE0009793 GRIK1 Q16478 GRIK5_HUMAN antagonist 12724156; 12904467; 15111016; 19417176 "Rogawski MA, Gryder D, Castaneda D, Yonekawa W, Banks MK, Lia H: GluR5 kainate receptors, seizures, and the amygdala. Ann N Y Acad Sci. 2003 Apr;985:150-62.@@Gryder DS, Rogawski MA: Selective antagonism of GluR5 kainate-receptor-mediated synaptic currents by topiramate in rat basolateral amygdala neurons. J Neurosci. 2003 Aug 6;23(18):7069-74.@@Kaminski RM, Banerjee M, Rogawski MA: Topiramate selectively protects against seizures induced by ATPA, a GluR5 kainate receptor agonist. Neuropharmacology. 2004 Jun;46(8):1097-104.@@Braga MF, Aroniadou-Anderjaska V, Li H, Rogawski MA: Topiramate reduces excitability in the basolateral amygdala by selectively inhibiting GluK1 (GluR5) kainate receptors on interneurons and positively modulating GABAA receptors on principal neurons. J Pharmacol Exp Ther. 2009 Aug;330(2):558-66. doi: 10.1124/jpet.109.153908. Epub 2009 May 5." Approved Dioxolopyrans Organic compounds; Organoheterocyclic compounds; Dioxolopyrans "Ketoses; Carbohydrates; Centrally Acting Antiobesity Products; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Hexoses; Cytochrome P-450 CYP3A4 Inducers (weak); Central Nervous System Agents; Anti-Obesity Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Monosaccharides; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Neuroprotective Agents" [H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2 11384 46508334 D00537 PA451728 DAP000137 Topiramate CHEMBL220492 38404 DB00273 Topiramate BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 15771438; 17521680; 17251017; 12617904; 15478125 "Maryanoff BE, McComsey DF, Costanzo MJ, Hochman C, Smith-Swintosky V, Shank RP: Comparison of sulfamate and sulfamide groups for the inhibition of carbonic anhydrase-II by using topiramate as a structural platform. J Med Chem. 2005 Mar 24;48(6):1941-7.@@Ma L, Huang YG, Deng YC, Tian JY, Rao ZR, Che HL, Zhang HF, Zhao G: Topiramate reduced sweat secretion and aquaporin-5 expression in sweat glands of mice. Life Sci. 2007 Jun 6;80(26):2461-8. Epub 2007 Apr 29.@@Di Fiore A, Scozzafava A, Winum JY, Montero JL, Pedone C, Supuran CT, De Simone G: Carbonic anhydrase inhibitors: binding of an antiglaucoma glycosyl-sulfanilamide derivative to human isoform II and its consequences for the drug design of enzyme inhibitors incorporating sugar moieties. Bioorg Med Chem Lett. 2007 Mar 15;17(6):1726-31. Epub 2007 Jan 8.@@Casini A, Antel J, Abbate F, Scozzafava A, David S, Waldeck H, Schafer S, Supuran CT: Carbonic anhydrase inhibitors: SAR and X-ray crystallographic study for the interaction of sugar sulfamates/sulfamides with isozymes I, II and IV. Bioorg Med Chem Lett. 2003 Mar 10;13(5):841-5.@@Winum JY, Scozzafava A, Montero JL, Supuran CT: Sulfamates and their therapeutic potential. Med Res Rev. 2005 Mar;25(2):186-228." Approved Dioxolopyrans Organic compounds; Organoheterocyclic compounds; Dioxolopyrans "Ketoses; Carbohydrates; Centrally Acting Antiobesity Products; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Hexoses; Cytochrome P-450 CYP3A4 Inducers (weak); Central Nervous System Agents; Anti-Obesity Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Monosaccharides; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Neuroprotective Agents" [H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2 11384 46508334 D00537 PA451728 DAP000137 Topiramate CHEMBL220492 38404 DB00273 Topiramate BE0009739 CACNA1C O00305 CACB4_HUMAN antagonist 19412496 "Mula M, Cavanna AE, Monaco F: Psychopharmacology of topiramate: from epilepsy to bipolar disorder. Neuropsychiatr Dis Treat. 2006 Dec;2(4):475-88. doi: 10.2147/nedt.2006.2.4.475." Approved Dioxolopyrans Organic compounds; Organoheterocyclic compounds; Dioxolopyrans "Ketoses; Carbohydrates; Centrally Acting Antiobesity Products; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Hexoses; Cytochrome P-450 CYP3A4 Inducers (weak); Central Nervous System Agents; Anti-Obesity Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Monosaccharides; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Neuroprotective Agents" [H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2 11384 46508334 D00537 PA451728 DAP000137 Topiramate CHEMBL220492 38404 DB00273 Topiramate BE0003625 CA3 P07451 CAH3_HUMAN inhibitor 17826101; 1261790; 10768298 "Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25.@@Lehmann WD, Neumann GK, Kessler KF, Jonatha WD: [Frequency of obstetrical operations and perinatal mortality before and after admission of continuous fetal monitoring (author's transl)]. Geburtshilfe Frauenheilkd. 1976 Mar;36(3):247-55.@@Dodgson SJ, Shank RP, Maryanoff BE: Topiramate as an inhibitor of carbonic anhydrase isoenzymes. Epilepsia. 2000;41 Suppl 1:S35-9. doi: 10.1111/j.1528-1157.2000.tb06047.x." Approved Dioxolopyrans Organic compounds; Organoheterocyclic compounds; Dioxolopyrans "Ketoses; Carbohydrates; Centrally Acting Antiobesity Products; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Hexoses; Cytochrome P-450 CYP3A4 Inducers (weak); Central Nervous System Agents; Anti-Obesity Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Monosaccharides; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Neuroprotective Agents" [H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2 11384 46508334 D00537 PA451728 DAP000137 Topiramate CHEMBL220492 38404 DB00273 Topiramate BE0008718 CACNA1E Q15878 CAC1E_HUMAN antagonist 27843503; 15816941; 27437073 "Wormuth C, Lundt A, Henseler C, Muller R, Broich K, Papazoglou A, Weiergraber M: Review: Cav2.3 R-type Voltage-Gated Ca(2+) Channels - Functional Implications in Convulsive and Non-convulsive Seizure Activity. Open Neurol J. 2016 Sep 30;10:99-126. doi: 10.2174/1874205X01610010099. eCollection 2016.@@Kuzmiski JB, Barr W, Zamponi GW, MacVicar BA: Topiramate inhibits the initiation of plateau potentials in CA1 neurons by depressing R-type calcium channels. Epilepsia. 2005 Apr;46(4):481-9. doi: 10.1111/j.0013-9580.2005.35304.x.@@Maryanoff BE: Phenotypic Assessment and the Discovery of Topiramate. ACS Med Chem Lett. 2016 Jun 13;7(7):662-5. doi: 10.1021/acsmedchemlett.6b00176. eCollection 2016 Jul 14." Approved Dioxolopyrans Organic compounds; Organoheterocyclic compounds; Dioxolopyrans "Ketoses; Carbohydrates; Centrally Acting Antiobesity Products; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Hexoses; Cytochrome P-450 CYP3A4 Inducers (weak); Central Nervous System Agents; Anti-Obesity Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Monosaccharides; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Neuroprotective Agents" [H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2 11384 46508334 D00537 PA451728 DAP000137 Topiramate CHEMBL220492 38404 DB00276 Amsacrine BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 10691026; 11006484; 11473732; 1311390; 1322791; 11752352; 11716434 "Finlay GJ, Atwell GJ, Baguley BC: Inhibition of the action of the topoisomerase II poison amsacrine by simple aniline derivatives: evidence for drug-protein interactions. Oncol Res. 1999;11(6):249-54.@@Ferlin MG, Marzano C, Chiarelotto G, Baccichetti F, Bordin F: Synthesis and antiproliferative activity of some variously substituted acridine and azacridine derivatives. Eur J Med Chem. 2000 Sep;35(9):827-37.@@Matsumoto Y, Takano H, Kunishio K, Nagao S, Fojo T: Hypophosphorylation of topoisomerase IIalpha in etoposide (VP-16)-resistant human carcinoma cell lines associated with carboxy-terminal truncation. Jpn J Cancer Res. 2001 Jul;92(7):799-805.@@Lee MS, Wang JC, Beran M: Two independent amsacrine-resistant human myeloid leukemia cell lines share an identical point mutation in the 170 kDa form of human topoisomerase II. J Mol Biol. 1992 Feb 20;223(4):837-43.@@Nitiss JL, Liu YX, Harbury P, Jannatipour M, Wasserman R, Wang JC: Amsacrine and etoposide hypersensitivity of yeast cells overexpressing DNA topoisomerase II. Cancer Res. 1992 Aug 15;52(16):4467-72.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Arimondo P, Boukarim C, Bailly C, Dauzonne D, Monneret C: Design of two etoposide-amsacrine conjugates: topoisomerase II and tubuline polymerization inhibition and relation to cytotoxicity. Anticancer Drug Des. 2000 Dec;15(6):413-21." Approved; Investigational Acridines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines "Indicators and Reagents; P-glycoprotein inhibitors; Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Aminoacridines; Cardiotoxic antineoplastic agents; Intercalating Agents; Laboratory Chemicals; Narrow Therapeutic Index Drugs; Acridines; Antineoplastic Agents; Compounds used in a research, industrial, or household setting" COC1=C(NC2=C3C=CC=CC3=NC3=CC=CC=C23)C=CC(NS(C)(=O)=O)=C1 1930 46507539 D02321 PA10309 DAP000046 Amsacrine CHEMBL43 739 DB00277 Theophylline BE0000924 ADORA2A P29274 AA2AR_HUMAN antagonist 16357952; 3588607 "Pechlivanova DM, Georgiev VP: Effects of single and long-term theophylline treatment on the threshold of mechanical nociception: contribution of adenosine A1 and alpha2-adrenoceptors. Methods Find Exp Clin Pharmacol. 2005 Nov;27(9):659-64.@@Daly JW, Jacobson KA, Ukena D: Adenosine receptors: development of selective agonists and antagonists. Prog Clin Biol Res. 1987;230:41-63." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists" CN1C2=C(NC=N2)C(=O)N(C)C1=O Caffeine Metabolism metabolic 231 46505949 D00371 PA451647 DAP000002 Theophylline CHEMBL190 10438 DB00277 Theophylline BE0000241 ADORA2B P29275 AA2BR_HUMAN antagonist 11752352; 16545350; 16581066; 12954362; 15980878; 3588607 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Philipp S, Yang XM, Cui L, Davis AM, Downey JM, Cohen MV: Postconditioning protects rabbit hearts through a protein kinase C-adenosine A2b receptor cascade. Cardiovasc Res. 2006 May 1;70(2):308-14. Epub 2006 Feb 23.@@Phelps PT, Anthes JC, Correll CC: Characterization of adenosine receptors in the human bladder carcinoma T24 cell line. Eur J Pharmacol. 2006 Apr 24;536(1-2):28-37. Epub 2006 Mar 3.@@Fozard JR, Baur F, Wolber C: Antagonist pharmacology of adenosine A2B receptors from rat, guinea pig and dog. Eur J Pharmacol. 2003 Aug 15;475(1-3):79-84.@@Holgate ST: The Quintiles Prize Lecture 2004. The identification of the adenosine A2B receptor as a novel therapeutic target in asthma. Br J Pharmacol. 2005 Aug;145(8):1009-15.@@Daly JW, Jacobson KA, Ukena D: Adenosine receptors: development of selective agonists and antagonists. Prog Clin Biol Res. 1987;230:41-63." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists" CN1C2=C(NC=N2)C(=O)N(C)C1=O Caffeine Metabolism metabolic 231 46505949 D00371 PA451647 DAP000002 Theophylline CHEMBL190 10438 DB00277 Theophylline BE0000487 PDE4B Q07343 PDE4B_HUMAN inhibitor 15639300 Lipworth BJ: Phosphodiesterase-4 inhibitors for asthma and chronic obstructive pulmonary disease. Lancet. 2005 Jan 8-14;365(9454):167-75. Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists" CN1C2=C(NC=N2)C(=O)N(C)C1=O Caffeine Metabolism metabolic 231 46505949 D00371 PA451647 DAP000002 Theophylline CHEMBL190 10438 DB00277 Theophylline BE0000182 PDE5A O76074 PDE5A_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists" CN1C2=C(NC=N2)C(=O)N(C)C1=O Caffeine Metabolism metabolic 231 46505949 D00371 PA451647 DAP000002 Theophylline CHEMBL190 10438 DB00277 Theophylline BE0001133 PDE4A P27815 PDE4A_HUMAN inhibitor 12421478; 12547256; 12887610; 15253881; 15351234 "Wang K, Chen JQ, Chen Z, Chen JC: Inhibition of human phosphodiesterase 4A expressed in yeast cell GL62 by theophylline, rolipram, and acetamide-45. Acta Pharmacol Sin. 2002 Nov;23(11):1013-7.@@Haider S: Cyclic AMP level and phosphodiesterase activity during 17alpha,20beta-dihydroxy-4-pregnen-3-one induction and theophylline inhibition of oocyte maturation in the catfish, Clarias batrachus. Comp Biochem Physiol A Mol Integr Physiol. 2003 Feb;134(2):267-74.@@Rickards KJ, Andrews MJ, Waterworth TH, Alexander GB, Cunningham FM: Differential effects of phosphodiesterase inhibitors on platelet activating factor (PAF)- and adenosine diphosphate (ADP)-induced equine platelet aggregation. J Vet Pharmacol Ther. 2003 Aug;26(4):277-82.@@Usta C, Sadan G, Tuncel B: The effect of the indomethacin on phosphodiesterase inhibitors mediated responses in isolated trachea preparations. Prostaglandins Leukot Essent Fatty Acids. 2004 Sep;71(3):137-41.@@Lee JM, Zemans RL, Hejazi M, Chin BB, Ladenson PW, Caturegli P: Modulation of thyroidal radioiodine uptake by theophylline. Exp Mol Pathol. 2004 Oct;77(2):116-20." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists" CN1C2=C(NC=N2)C(=O)N(C)C1=O Caffeine Metabolism metabolic 231 46505949 D00371 PA451647 DAP000002 Theophylline CHEMBL190 10438 DB00277 Theophylline BE0000436 PDE3A Q14432 PDE3A_HUMAN inhibitor 12887610; 15237094; 16651698 "Rickards KJ, Andrews MJ, Waterworth TH, Alexander GB, Cunningham FM: Differential effects of phosphodiesterase inhibitors on platelet activating factor (PAF)- and adenosine diphosphate (ADP)-induced equine platelet aggregation. J Vet Pharmacol Ther. 2003 Aug;26(4):277-82.@@Wu BN, Lin RJ, Lo YC, Shen KP, Wang CC, Lin YT, Chen IJ: KMUP-1, a xanthine derivative, induces relaxation of guinea-pig isolated trachea: the role of the epithelium, cyclic nucleotides and K+ channels. Br J Pharmacol. 2004 Aug;142(7):1105-14. Epub 2004 Jul 5.@@Kajikawa S, Kigami D, Nakayama H, Doi K: Changes in submaxillary gland gene expression in F344 rats by multiple dosing of theophylline. Exp Anim. 2006 Apr;55(2):143-6." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists" CN1C2=C(NC=N2)C(=O)N(C)C1=O Caffeine Metabolism metabolic 231 46505949 D00371 PA451647 DAP000002 Theophylline CHEMBL190 10438 DB00277 Theophylline BE0002366 HDAC2 Q92769 HDAC2_HUMAN activator 12070353; 15337792 "Ito K, Lim S, Caramori G, Cosio B, Chung KF, Adcock IM, Barnes PJ: A molecular mechanism of action of theophylline: Induction of histone deacetylase activity to decrease inflammatory gene expression. Proc Natl Acad Sci U S A. 2002 Jun 25;99(13):8921-6. Epub 2002 Jun 17.@@Cosio BG, Tsaprouni L, Ito K, Jazrawi E, Adcock IM, Barnes PJ: Theophylline restores histone deacetylase activity and steroid responses in COPD macrophages. J Exp Med. 2004 Sep 6;200(5):689-95. Epub 2004 Aug 30." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists" CN1C2=C(NC=N2)C(=O)N(C)C1=O Caffeine Metabolism metabolic 231 46505949 D00371 PA451647 DAP000002 Theophylline CHEMBL190 10438 DB00277 Theophylline BE0009002 CPNE1 Q99829 CPNE1_HUMAN 18951874 "Marwick JA, Wallis G, Meja K, Kuster B, Bouwmeester T, Chakravarty P, Fletcher D, Whittaker PA, Barnes PJ, Ito K, Adcock IM, Kirkham PA: Oxidative stress modulates theophylline effects on steroid responsiveness. Biochem Biophys Res Commun. 2008 Dec 19;377(3):797-802. doi: 10.1016/j.bbrc.2008.10.065. Epub 2008 Oct 23." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists" CN1C2=C(NC=N2)C(=O)N(C)C1=O Caffeine Metabolism metabolic 231 46505949 D00371 PA451647 DAP000002 Theophylline CHEMBL190 10438 DB00277 Theophylline BE0001717 PARP1 P09874 PARP1_HUMAN 18951874 "Marwick JA, Wallis G, Meja K, Kuster B, Bouwmeester T, Chakravarty P, Fletcher D, Whittaker PA, Barnes PJ, Ito K, Adcock IM, Kirkham PA: Oxidative stress modulates theophylline effects on steroid responsiveness. Biochem Biophys Res Commun. 2008 Dec 19;377(3):797-802. doi: 10.1016/j.bbrc.2008.10.065. Epub 2008 Oct 23." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists" CN1C2=C(NC=N2)C(=O)N(C)C1=O Caffeine Metabolism metabolic 231 46505949 D00371 PA451647 DAP000002 Theophylline CHEMBL190 10438 DB00277 Theophylline BE0009006 TTLL3 Q9Y4R7 TTLL3_HUMAN 18951874 "Marwick JA, Wallis G, Meja K, Kuster B, Bouwmeester T, Chakravarty P, Fletcher D, Whittaker PA, Barnes PJ, Ito K, Adcock IM, Kirkham PA: Oxidative stress modulates theophylline effects on steroid responsiveness. Biochem Biophys Res Commun. 2008 Dec 19;377(3):797-802. doi: 10.1016/j.bbrc.2008.10.065. Epub 2008 Oct 23." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists" CN1C2=C(NC=N2)C(=O)N(C)C1=O Caffeine Metabolism metabolic 231 46505949 D00371 PA451647 DAP000002 Theophylline CHEMBL190 10438 DB00279 Liothyronine BE0000687 THRA P10827 THA_HUMAN agonist 15283690; 12955882; 15240882; 15235154; 14596673; 11752352 "Jiang W, Miyamoto T, Kakizawa T, Sakuma T, Nishio S, Takeda T, Suzuki S, Hashizume K: Expression of thyroid hormone receptor alpha in 3T3-L1 adipocytes; triiodothyronine increases the expression of lipogenic enzyme and triglyceride accumulation. J Endocrinol. 2004 Aug;182(2):295-302.@@Kariv R, Enden A, Zvibel I, Rosner G, Brill S, Shafritz DA, Halpern Z, Oren R: Triiodothyronine and interleukin-6 (IL-6) induce expression of HGF in an immortalized rat hepatic stellate cell line. Liver Int. 2003 Jun;23(3):187-93.@@Mai W, Janier MF, Allioli N, Quignodon L, Chuzel T, Flamant F, Samarut J: Thyroid hormone receptor alpha is a molecular switch of cardiac function between fetal and postnatal life. Proc Natl Acad Sci U S A. 2004 Jul 13;101(28):10332-7. Epub 2004 Jul 6.@@Sciaudone MP, Yao L, Schaller M, Zinn SA, Freake HC: Diethylenetriaminepentaacetic acid enhances thyroid hormone action by a transcriptional mechanism. Biol Trace Elem Res. 2004 Summer;99(1-3):219-31.@@Timmer DC, Bakker O, Wiersinga WM: Triiodothyronine affects the alternative splicing of thyroid hormone receptor alpha mRNA. J Endocrinol. 2003 Nov;179(2):217-25.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Vet_approved Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Thyroxine-binding globulin substrates; OAT3/SLC22A8 Inhibitors; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Triiodothyronine; OATP1B3 substrates; l-Triiodothyronine; Agents used to treat hypothyroidism; Thyroid Products; Thyronines; OATP1B1/SLCO1B1 Substrates; UGT1A1 Substrates; P-glycoprotein inducers; Drugs that are Mainly Renally Excreted; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O Thyroid Hormone Synthesis metabolic 9950 46506352 PA164778866 DAP000082 Liothyronine CHEMBL1544 10814 DB00279 Liothyronine BE0000315 THRB P10828 THB_HUMAN agonist 17315033; 12668276; 17016423; 17139284; 12776178; 10592235; 16099238; 11159893 "Bernal J: Thyroid hormone receptors in brain development and function. Nat Clin Pract Endocrinol Metab. 2007 Mar;3(3):249-59.@@Gonzalez-Sancho JM, Garcia V, Bonilla F, Munoz A: Thyroid hormone receptors/THR genes in human cancer. Cancer Lett. 2003 Mar 31;192(2):121-32.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Yen PM, Feng X, Flamant F, Chen Y, Walker RL, Weiss RE, Chassande O, Samarut J, Refetoff S, Meltzer PS: Effects of ligand and thyroid hormone receptor isoforms on hepatic gene expression profiles of thyroid hormone receptor knockout mice. EMBO Rep. 2003 Jun;4(6):581-7.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Wu SY, Sadow PM, Refetoff S, Weiss RE: Tissue responses to thyroid hormone in a kindred with resistance to thyroid hormone harboring a commonly occurring mutation in the thyroid hormone receptor beta gene (P453T). J Lab Clin Med. 2005 Aug;146(2):85-94.@@Kullak-Ublick GA, Ismair MG, Stieger B, Landmann L, Huber R, Pizzagalli F, Fattinger K, Meier PJ, Hagenbuch B: Organic anion-transporting polypeptide B (OATP-B) and its functional comparison with three other OATPs of human liver. Gastroenterology. 2001 Feb;120(2):525-33." Approved; Vet_approved Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Thyroxine-binding globulin substrates; OAT3/SLC22A8 Inhibitors; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Triiodothyronine; OATP1B3 substrates; l-Triiodothyronine; Agents used to treat hypothyroidism; Thyroid Products; Thyronines; OATP1B1/SLCO1B1 Substrates; UGT1A1 Substrates; P-glycoprotein inducers; Drugs that are Mainly Renally Excreted; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O Thyroid Hormone Synthesis metabolic 9950 46506352 PA164778866 DAP000082 Liothyronine CHEMBL1544 10814 DB00280 Disopyramide BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 10413067; 1690310 "Yamamoto N, Ozaki T, Keida Y, Ohtsuka M, Goto T: A comparison of the binding characteristics of class I antiarrhythmic agents for human muscarinic m1-m3 receptors. J Cardiovasc Pharmacol. 1999 Jul;34(1):53-9.@@Ishida Y, Mizukami M, Taniguchi T, Satake N, Fujiwara M, Shibata S: Anticholinergic action of disopyramide in intestinal smooth muscle of the guinea pig: inhibition of muscarinic receptors (M1 and M2). Jpn J Pharmacol. 1990 Feb;52(2):363-70." Approved Pheniramines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines "Sodium Channel Blockers; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Antiarrhythmics, Class Ia; Agents producing tachycardia; Blood Glucose Lowering Agents; Pyridines; Cardiovascular Agents; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Negative Inotrope; Membrane Transport Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Muscarinic Antagonists; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Antiarrhythmics, Class I; Cytochrome P-450 CYP1A2 Substrates" CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=NC=CC=C1)C(C)C Disopyramide Action Pathway drug_action 2191 46508226 D00303 PA449373 DAP000504 Disopyramide CHEMBL517 3541 DB00280 Disopyramide BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 10413067 "Yamamoto N, Ozaki T, Keida Y, Ohtsuka M, Goto T: A comparison of the binding characteristics of class I antiarrhythmic agents for human muscarinic m1-m3 receptors. J Cardiovasc Pharmacol. 1999 Jul;34(1):53-9." Approved Pheniramines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines "Sodium Channel Blockers; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Antiarrhythmics, Class Ia; Agents producing tachycardia; Blood Glucose Lowering Agents; Pyridines; Cardiovascular Agents; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Negative Inotrope; Membrane Transport Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Muscarinic Antagonists; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Antiarrhythmics, Class I; Cytochrome P-450 CYP1A2 Substrates" CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=NC=CC=C1)C(C)C Disopyramide Action Pathway drug_action 2191 46508226 D00303 PA449373 DAP000504 Disopyramide CHEMBL517 3541 DB00280 Disopyramide BE0003603 KCND2 Q9NZV8 KCND2_HUMAN inhibitor 9781919 "Casis O, Sanchez-Chapula JA: Disopyramide, imipramine, and amitriptyline bind to a common site on the transient outward K+ channel. J Cardiovasc Pharmacol. 1998 Oct;32(4):521-6." Approved Pheniramines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines "Sodium Channel Blockers; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Antiarrhythmics, Class Ia; Agents producing tachycardia; Blood Glucose Lowering Agents; Pyridines; Cardiovascular Agents; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Negative Inotrope; Membrane Transport Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Muscarinic Antagonists; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Antiarrhythmics, Class I; Cytochrome P-450 CYP1A2 Substrates" CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=NC=CC=C1)C(C)C Disopyramide Action Pathway drug_action 2191 46508226 D00303 PA449373 DAP000504 Disopyramide CHEMBL517 3541 DB00280 Disopyramide BE0003604 KCND3 Q9UK17 KCND3_HUMAN inhibitor 9781919 "Casis O, Sanchez-Chapula JA: Disopyramide, imipramine, and amitriptyline bind to a common site on the transient outward K+ channel. J Cardiovasc Pharmacol. 1998 Oct;32(4):521-6." Approved Pheniramines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines "Sodium Channel Blockers; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Antiarrhythmics, Class Ia; Agents producing tachycardia; Blood Glucose Lowering Agents; Pyridines; Cardiovascular Agents; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Negative Inotrope; Membrane Transport Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Muscarinic Antagonists; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Antiarrhythmics, Class I; Cytochrome P-450 CYP1A2 Substrates" CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=NC=CC=C1)C(C)C Disopyramide Action Pathway drug_action 2191 46508226 D00303 PA449373 DAP000504 Disopyramide CHEMBL517 3541 DB00281 Lidocaine BE0001143 SCN9A Q15858 SCN9A_HUMAN inhibitor 17430993; 19088384; 20585544 "Sheets PL, Jackson JO 2nd, Waxman SG, Dib-Hajj SD, Cummins TR: A Nav1.7 channel mutation associated with hereditary erythromelalgia contributes to neuronal hyperexcitability and displays reduced lidocaine sensitivity. J Physiol. 2007 Jun 15;581(Pt 3):1019-31. Epub 2007 Apr 12.@@Muroi Y, Chanda B: Local anesthetics disrupt energetic coupling between the voltage-sensing segments of a sodium channel. J Gen Physiol. 2009 Jan;133(1):1-15. doi: 10.1085/jgp.200810103. Epub 2008 Dec 15.@@Karoly R, Lenkey N, Juhasz AO, Vizi ES, Mike A: Fast- or slow-inactivated state preference of Na+ channel inhibitors: a simulation and experimental study. PLoS Comput Biol. 2010 Jun 17;6(6):e1000818. doi: 10.1371/journal.pcbi.1000818." Approved; Vet_approved m-Xylenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes "Sodium Channel Blockers; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Amines; Antiarrhythmics, Class Ib; Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Neuraxial Anesthetics; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Analgesics and Anesthetics; Antipruritics and Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Cytochrome P-450 CYP1A2 Inhibitors; Membrane Transport Modulators; Otologicals; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Local Anesthesia; Cytochrome P-450 CYP2D6 Substrates; Anesthetics, Local; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Throat Preparations; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Anilides; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Anesthetics for Topical Use; Local Anesthetics (Amide); Antiarrhythmic agents; Aniline Compounds; Voltage-Gated Sodium Channel Blockers; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Cytochrome P-450 CYP2C9 Substrates; Antiarrhythmics, Class I; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Vasoprotectives" CCN(CC)CC(=O)NC1=C(C)C=CC=C1C Lidocaine (Antiarrhythmic) Action Pathway; Lidocaine (Local Anaesthetic) Metabolism Pathway; Lidocaine (Local Anaesthetic) Action Pathway drug_metabolism; drug_action 9471 46505060 D00358 PA450226 DAP000121 Lidocaine CHEMBL79 6387 DB00281 Lidocaine BE0000767 EGFR P00533 EGFR_HUMAN antagonist 16551906 "Sakaguchi M, Kuroda Y, Hirose M: The antiproliferative effect of lidocaine on human tongue cancer cells with inhibition of the activity of epidermal growth factor receptor. Anesth Analg. 2006 Apr;102(4):1103-7." Approved; Vet_approved m-Xylenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes "Sodium Channel Blockers; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Amines; Antiarrhythmics, Class Ib; Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Neuraxial Anesthetics; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Analgesics and Anesthetics; Antipruritics and Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Cytochrome P-450 CYP1A2 Inhibitors; Membrane Transport Modulators; Otologicals; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Local Anesthesia; Cytochrome P-450 CYP2D6 Substrates; Anesthetics, Local; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Throat Preparations; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Anilides; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Anesthetics for Topical Use; Local Anesthetics (Amide); Antiarrhythmic agents; Aniline Compounds; Voltage-Gated Sodium Channel Blockers; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Cytochrome P-450 CYP2C9 Substrates; Antiarrhythmics, Class I; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Vasoprotectives" CCN(CC)CC(=O)NC1=C(C)C=CC=C1C Lidocaine (Antiarrhythmic) Action Pathway; Lidocaine (Local Anaesthetic) Metabolism Pathway; Lidocaine (Local Anaesthetic) Action Pathway drug_metabolism; drug_action 9471 46505060 D00358 PA450226 DAP000121 Lidocaine CHEMBL79 6387 DB00282 Pamidronic acid BE0000776 FDPS P14324 FPPS_HUMAN inhibitor 11752352; 10620343; 11160603; 15713990; 12177810; 15487700 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Bergstrom JD, Bostedor RG, Masarachia PJ, Reszka AA, Rodan G: Alendronate is a specific, nanomolar inhibitor of farnesyl diphosphate synthase. Arch Biochem Biophys. 2000 Jan 1;373(1):231-41.@@Dunford JE, Thompson K, Coxon FP, Luckman SP, Hahn FM, Poulter CD, Ebetino FH, Rogers MJ: Structure-activity relationships for inhibition of farnesyl diphosphate synthase in vitro and inhibition of bone resorption in vivo by nitrogen-containing bisphosphonates. J Pharmacol Exp Ther. 2001 Feb;296(2):235-42.@@Notarnicola M, Messa C, Cavallini A, Bifulco M, Tecce MF, Eletto D, Di Leo A, Montemurro S, Laezza C, Caruso MG: Higher farnesyl diphosphate synthase activity in human colorectal cancer inhibition of cellular apoptosis. Oncology. 2004;67(5-6):351-8.@@Riebeling C, Forsea AM, Raisova M, Orfanos CE, Geilen CC: The bisphosphonate pamidronate induces apoptosis in human melanoma cells in vitro. Br J Cancer. 2002 Jul 29;87(3):366-71.@@Zhang PL, Lun M, Siegelmann-Danieli N, Blasick TM, Brown RE: Pamidronate resistance and associated low ras levels in breast cancer cells: a role for combinatorial therapy. Ann Clin Lab Sci. 2004 Summer;34(3):263-70." Approved Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates Agents Causing Muscle Toxicity; Organophosphonates; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Nephrotoxic agents; Bisphosphonates; Drugs Affecting Bone Structure and Mineralization; Antineoplastic Agents; Drugs for Treatment of Bone Diseases NCCC(O)(P(O)(O)=O)P(O)(O)=O Pamidronate Action Pathway drug_action 896 46504823 D07281 PA450767 DAP001416 Pamidronic_acid CHEMBL834 11473 DB00282 Pamidronic acid BE0001162 CASP3 P42574 CASP3_HUMAN activator 16298452; 12177810 "Wada A, Fukui K, Sawai Y, Imanaka K, Kiso S, Tamura S, Shimomura I, Hayashi N: Pamidronate induced anti-proliferative, apoptotic, and anti-migratory effects in hepatocellular carcinoma. J Hepatol. 2006 Jan;44(1):142-50. doi: 10.1016/j.jhep.2005.09.022. Epub 2005 Nov 9.@@Riebeling C, Forsea AM, Raisova M, Orfanos CE, Geilen CC: The bisphosphonate pamidronate induces apoptosis in human melanoma cells in vitro. Br J Cancer. 2002 Jul 29;87(3):366-71." Approved Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates Agents Causing Muscle Toxicity; Organophosphonates; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Nephrotoxic agents; Bisphosphonates; Drugs Affecting Bone Structure and Mineralization; Antineoplastic Agents; Drugs for Treatment of Bone Diseases NCCC(O)(P(O)(O)=O)P(O)(O)=O Pamidronate Action Pathway drug_action 896 46504823 D07281 PA450767 DAP001416 Pamidronic_acid CHEMBL834 11473 DB00283 Clemastine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11752352; 2890562; 6701456; 6387510; 1678430; 7513381; 4074605; 6449094; 1266718; 8930778 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Taniguchi K, Urakami M, Takanaka K: [Effects of antiallergic agents on polymorphonuclear leukocytes. The inhibition of arachidonic acid release and superoxide production]. Nihon Yakurigaku Zasshi. 1987 Aug;90(2):97-103.@@Hallberg T, Dohlsten M, Baldetorp B: Demonstration of histamine receptors on human platelets by flow cytometry. Scand J Haematol. 1984 Feb;32(2):113-8.@@Dorsch W, Hintschich C, Neuhauser J, Weber J: Sequential histamine inhalations cause increased bronchial histamine reactivity in guinea pigs: role of platelets, thromboxanes and prostacyclin. Naunyn Schmiedebergs Arch Pharmacol. 1984 Sep;327(2):148-55.@@Taniguchi K, Masuda Y, Takanaka K: Inhibitory effects of histamine H1 receptor blocking drugs on metabolic activations of neutrophils. J Pharmacobiodyn. 1991 Feb;14(2):87-93.@@Oishi R, Shishido S, Yamori M, Saeki K: Comparison of the effects of eleven histamine H1-receptor antagonists on monoamine turnover in the mouse brain. Naunyn Schmiedebergs Arch Pharmacol. 1994 Feb;349(2):140-4.@@Thomas RH, Browne PD, Kirby JD: The influence of ranitidine, alone and in combination with clemastine, on histamine-mediated cutaneous weal and flare reactions in human skin. Br J Clin Pharmacol. 1985 Oct;20(4):377-82.@@Thomson NC, Kerr JW: Effect of inhaled H1 and H2 receptor antagonist in normal and asthmatic subjects. Thorax. 1980 Jun;35(6):428-34.@@Hayashi H, Okajima M, Yamada K: Atrial T (Ta) loop in dogs with or without atrial injury. Am Heart J. 1976 May;91(5):607-17.@@Schran HF, Petryk L, Chang CT, O'Connor R, Gelbert MB: The pharmacokinetics and bioavailability of clemastine and phenylpropanolamine in single-component and combination formulations. J Clin Pharmacol. 1996 Oct;36(10):911-22." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; QTc Prolonging Agents; Aminoalkyl Ethers; Histamine H1 Antagonists; Dermatologicals; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Pyrrolidines; Antipruritics; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use" CN1CCC[C@@H]1CCO[C@](C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1 Clemastine H1-Antihistamine Action drug_action 3981 46506492 D03535 PA164776997 DAP000322 Clemastine CHEMBL1626 2578 DB00284 Acarbose BE0000837 MGAM O43451 MGA_HUMAN inhibitor 16702880; 19275550; 8893066 "Zhang H, Kallwass H, Young SP, Carr C, Dai J, Kishnani PS, Millington DS, Keutzer J, Chen YT, Bali D: Comparison of maltose and acarbose as inhibitors of maltase-glucoamylase activity in assaying acid alpha-glucosidase activity in dried blood spots for the diagnosis of infantile Pompe disease. Genet Med. 2006 May;8(5):302-6.@@Yamagishi S, Matsui T, Ueda S, Fukami K, Okuda S: Clinical utility of acarbose, an alpha-glucosidase inhibitor in cardiometabolic disorders. Curr Drug Metab. 2009 Feb;10(2):159-63.@@Martin AE, Montgomery PA: Acarbose: an alpha-glucosidase inhibitor. Am J Health Syst Pharm. 1996 Oct 1;53(19):2277-90; quiz 2336-7. doi: 10.1093/ajhp/53.19.2277." Approved; Investigational Aminocyclitol glycosides Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Drugs Used in Diabetes; Glycoside Hydrolase Inhibitors; Oral Hypoglycemics; Enzyme Inhibitors; Hypoglycemia-Associated Agents; Oligosaccharides; Carbohydrates; Polysaccharides; Trisaccharides; Drugs that are Mainly Renally Excreted; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism [H]C(=O)[C@H](O)[C@@H](O)[C@]([H])(O[C@@]1([H])O[C@H](CO)[C@@]([H])(O[C@H]2O[C@H](C)[C@@H](N[C@@]3([H])C=C(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO 917 46508248 D00216 PA448010 DCL000309 Acarbose CHEMBL1566 16681 DB00284 Acarbose BE0001176 SI P14410 SUIS_HUMAN inhibitor 12864906; 2962844; 8893066 "Juretic D, Bernik S, Cop L, Hadzija M, Petlevski R, Lukac-Bajalo J: Short-term effect of acarbose on specific intestinal disaccharidase activities and hyperglycaemia in CBA diabetic mice. J Anim Physiol Anim Nutr (Berl). 2003 Aug;87(7-8):263-8.@@Samulitis BK, Goda T, Lee SM, Koldovsky O: Inhibitory mechanism of acarbose and 1-deoxynojirimycin derivatives on carbohydrases in rat small intestine. Drugs Exp Clin Res. 1987;13(8):517-24.@@Martin AE, Montgomery PA: Acarbose: an alpha-glucosidase inhibitor. Am J Health Syst Pharm. 1996 Oct 1;53(19):2277-90; quiz 2336-7. doi: 10.1093/ajhp/53.19.2277." Approved; Investigational Aminocyclitol glycosides Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Drugs Used in Diabetes; Glycoside Hydrolase Inhibitors; Oral Hypoglycemics; Enzyme Inhibitors; Hypoglycemia-Associated Agents; Oligosaccharides; Carbohydrates; Polysaccharides; Trisaccharides; Drugs that are Mainly Renally Excreted; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism [H]C(=O)[C@H](O)[C@@H](O)[C@]([H])(O[C@@]1([H])O[C@H](CO)[C@@]([H])(O[C@H]2O[C@H](C)[C@@H](N[C@@]3([H])C=C(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO 917 46508248 D00216 PA448010 DCL000309 Acarbose CHEMBL1566 16681 DB00284 Acarbose BE0000876 GAA P10253 LYAG_HUMAN inhibitor 11404235; 16702880; 16763908; 3539207; 2776140; 32672281 "Salehi A, Fan BG, Ekelund M, Nordin G, Lundquist I: TPN-evoked dysfunction of islet lysosomal activity mediates impairment of glucose-stimulated insulin release. Am J Physiol Endocrinol Metab. 2001 Jul;281(1):E171-9.@@Zhang H, Kallwass H, Young SP, Carr C, Dai J, Kishnani PS, Millington DS, Keutzer J, Chen YT, Bali D: Comparison of maltose and acarbose as inhibitors of maltase-glucoamylase activity in assaying acid alpha-glucosidase activity in dried blood spots for the diagnosis of infantile Pompe disease. Genet Med. 2006 May;8(5):302-6.@@Gelb MH, Turecek F, Scott CR, Chamoles NA: Direct multiplex assay of enzymes in dried blood spots by tandem mass spectrometry for the newborn screening of lysosomal storage disorders. J Inherit Metab Dis. 2006 Apr-Jun;29(2-3):397-404.@@Bourbon JR, Doucet E, Rieutort M: Role of alpha-glucosidase in fetal lung maturation. Biochim Biophys Acta. 1987 Jan 13;917(1):203-10.@@Calder PC, Geddes R: Acarbose is a competitive inhibitor of mammalian lysosomal acid alpha-D-glucosidases. Carbohydr Res. 1989 Aug 1;191(1):71-8. doi: 10.1016/0008-6215(89)85047-5.@@Wang M, Wang M, Zhang F, Su X: A ratiometric fluorescent biosensor for the sensitive determination of alpha-glucosidase activity and acarbose based on N-doped carbon dots. Analyst. 2020 Aug 24;145(17):5808-5815. doi: 10.1039/d0an01065k." Approved; Investigational Aminocyclitol glycosides Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Drugs Used in Diabetes; Glycoside Hydrolase Inhibitors; Oral Hypoglycemics; Enzyme Inhibitors; Hypoglycemia-Associated Agents; Oligosaccharides; Carbohydrates; Polysaccharides; Trisaccharides; Drugs that are Mainly Renally Excreted; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism [H]C(=O)[C@H](O)[C@@H](O)[C@]([H])(O[C@@]1([H])O[C@H](CO)[C@@]([H])(O[C@H]2O[C@H](C)[C@@H](N[C@@]3([H])C=C(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO 917 46508248 D00216 PA448010 DCL000309 Acarbose CHEMBL1566 16681 DB00286 Conjugated estrogens BE0000792 ESR2 Q92731 ESR2_HUMAN agonist 24715748; 16876190; 16884174; 16955786 "Cada DJ, Baker DE: Conjugated estrogens and bazedoxifene. Hosp Pharm. 2014 Mar;49(3):273-83. doi: 10.1310/hpj4903-273.@@Ropero AB, Eghbali M, Minosyan TY, Tang G, Toro L, Stefani E: Heart estrogen receptor alpha: distinct membrane and nuclear distribution patterns and regulation by estrogen. J Mol Cell Cardiol. 2006 Sep;41(3):496-510. Epub 2006 Jul 28.@@Stroud FC, Appt SE, Wilson ME, Franke AA, Adams MR, Kaplan JR: Concentrations of isoflavones in macaques consuming standard laboratory monkey diet. J Am Assoc Lab Anim Sci. 2006 Jul;45(4):20-3.@@Hou NN, Zhu YM, Huang HF: [The expression of estrogen receptor alpha and beta in the intervention of different estrogens in rat bone metabolism]. Fen Zi Xi Bao Sheng Wu Xue Bao. 2006 Aug;39(4):289-96." Approved "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OAT3/SLC22A8 Substrates; Agents causing angioedema; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Estradiol Congeners; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Estrogens, Conjugated (USP); Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Hormones; BCRP/ABCG2 Substrates; Gonadal Hormones; OATP2B1/SLCO2B1 substrates; COMT Substrates; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; OAT3/SLC22A8 Inhibitors; Gonadal Steroid Hormones; OATP1B3 substrates; Estrogens; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" 12708 46505680 D04070 PA164754789 DNC001150 Conjugated_estrogens CHEMBL2106240 4099 DB00286 Conjugated estrogens BE0000123 ESR1 P03372 ESR1_HUMAN agonist 16876190; 16884174; 16955786; 16982590; 16985877 "Ropero AB, Eghbali M, Minosyan TY, Tang G, Toro L, Stefani E: Heart estrogen receptor alpha: distinct membrane and nuclear distribution patterns and regulation by estrogen. J Mol Cell Cardiol. 2006 Sep;41(3):496-510. Epub 2006 Jul 28.@@Stroud FC, Appt SE, Wilson ME, Franke AA, Adams MR, Kaplan JR: Concentrations of isoflavones in macaques consuming standard laboratory monkey diet. J Am Assoc Lab Anim Sci. 2006 Jul;45(4):20-3.@@Hou NN, Zhu YM, Huang HF: [The expression of estrogen receptor alpha and beta in the intervention of different estrogens in rat bone metabolism]. Fen Zi Xi Bao Sheng Wu Xue Bao. 2006 Aug;39(4):289-96.@@Gouva L, Tsatsoulis A: The role of estrogens in cardiovascular disease in the aftermath of clinical trials. Hormones (Athens). 2004 Jul-Sep;3(3):171-83.@@Smith MR: Selective estrogen receptor modulators to prevent treatment-related osteoporosis. Rev Urol. 2005;7 Suppl 3:S30-5." Approved "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OAT3/SLC22A8 Substrates; Agents causing angioedema; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Estradiol Congeners; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Estrogens, Conjugated (USP); Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Hormones; BCRP/ABCG2 Substrates; Gonadal Hormones; OATP2B1/SLCO2B1 substrates; COMT Substrates; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; OAT3/SLC22A8 Inhibitors; Gonadal Steroid Hormones; OATP1B3 substrates; Estrogens; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" 12708 46505680 D04070 PA164754789 DNC001150 Conjugated_estrogens CHEMBL2106240 4099 DB00288 Amcinonide BE0000794 NR3C1 P04150 GCR_HUMAN agonist 17139284; 17016423; 16891588; 16895953; 16980198; 17038445; 17086345 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404." Approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@H]3OC4(CCCC4)O[C@@]3(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7508 46506705 D01387 PA164746074 DAP001044 Amcinonide CHEMBL1200732 17652 DB00288 Amcinonide BE0000422 ANXA1 P04083 ANXA1_HUMAN agonist 17139284; 17016423; 7981624 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Serres M, Comera C, Schmitt D: Annexin 1 regulation in human epidermal cells. Cell Mol Biol (Noisy-le-grand). 1994 Jul;40(5):701-6." Approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@H]3OC4(CCCC4)O[C@@]3(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7508 46506705 D01387 PA164746074 DAP001044 Amcinonide CHEMBL1200732 17652 DB00289 Atomoxetine BE0001028 KCNJ3 P48549 KCNJ3_HUMAN inhibitor 20393461 "Kobayashi T, Washiyama K, Ikeda K: Inhibition of G-protein-activated inwardly rectifying K+ channels by the selective norepinephrine reuptake inhibitors atomoxetine and reboxetine. Neuropsychopharmacology. 2010 Jun;35(7):1560-9. doi: 10.1038/npp.2010.27. Epub 2010 Mar 10." Approved Phenol ethers Organic compounds; Benzenoids; Phenol ethers "QTc Prolonging Agents; Amines; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Norepinephrine Uptake Inhibitors; Agents that produce hypertension; Norepinephrine Reuptake Inhibitor; Neurotransmitter Agents; Nervous System; Adrenergic Agents; Propylamines; Miscellaneous Central Nervous System Agents" CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1 13584 46506160 D07473 PA134688071 DAP000721 Atomoxetine CHEMBL641 38400 DB00290 Bleomycin BE0000199 LIG1 P18858 DNLI1_HUMAN inhibitor 17202402 "Rose JL, Reeves KC, Likhotvorik RI, Hoyt DG: Base excision repair proteins are required for integrin-mediated suppression of bleomycin-induced DNA breakage in murine lung endothelial cells. J Pharmacol Exp Ther. 2007 Apr;321(1):318-26. Epub 2007 Jan 3." Approved; Investigational Hybrid glycopeptides Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides "Cytotoxic Antibiotics and Related Substances; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Glycoconjugates; Cardiotoxic antineoplastic agents; Carbohydrates; Peptides; Glycopeptides; Antibiotics, Antineoplastic; Narrow Therapeutic Index Drugs; Cytoprotective Agent; Drugs that are Mainly Renally Excreted; Amino Acids, Peptides, and Proteins; Antineoplastic Agents" [H][C@](C)(NC(=O)[C@@]([H])(NC(=O)C1=NC(=NC(N)=C1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@]([H])(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CNC=N1)[C@@H](O)[C@H](C)C(=O)N[C@]([H])(C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCC[S+](C)C)[C@@]([H])(C)O 8453 46509116 PA448645 DAP000531 Bleomycin CHEMBL403664 1622 DB00292 Etomidate BE0000795 GABRA1 P14867 GBRA1_HUMAN agonist 17139284; 17016423; 19809285; 19741491; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Martin LJ, Oh GH, Orser BA: Etomidate targets alpha5 gamma-aminobutyric acid subtype A receptors to regulate synaptic plasticity and memory blockade. Anesthesiology. 2009 Nov;111(5):1025-35. doi: 10.1097/ALN.0b013e3181bbc961.@@Desai R, Ruesch D, Forman SA: Gamma-amino butyric acid type A receptor mutations at beta2N265 alter etomidate efficacy while preserving basal and agonist-dependent activity. Anesthesiology. 2009 Oct;111(4):774-84. doi: 10.1097/ALN.0b013e3181b55fae.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Carbonylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles "Adrenergic Agonists; Anesthetics, General; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Adrenergic alpha-Agonists; Anesthetics, Intravenous; Anesthetics; Imidazoles; Nervous System; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Agents that produce hypertension; Drugs that are Mainly Renally Excreted" CCOC(=O)C1=CN=CN1[C@H](C)C1=CC=CC=C1 23454 46507012 D00548 PA164743987 DAP000669 Etomidate CHEMBL681 4177 DB00293 Raltitrexed BE0000700 FPGS Q05932 FOLC_HUMAN antagonist 11916544 "Innocenti F, Ratain MJ: Update on pharmacogenetics in cancer chemotherapy. Eur J Cancer. 2002 Mar;38(5):639-44." Approved; Investigational Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Thymidylate Synthase, antagonists & inhibitors; Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Folic Acid Analogues; Enzyme Inhibitors; Antimetabolites; Folic Acid Antagonists; Sulfur Compounds; Narrow Therapeutic Index Drugs; Toxic Actions; Noxae; Antineoplastic Agents" CN(CC1=CC2=C(NC(C)=NC2=O)C=C1)C1=CC=C(S1)C(=O)N[C@@H](CCC(O)=O)C(O)=O 11098 46504880 D01064 PA131625240 DAP000759 Raltitrexed CHEMBL225071 196239 DB00294 Etonogestrel BE0000557 PGR P06401 PRGR_HUMAN agonist 10601100; 11041225; 15063480; 11752352 "Macpherson AM, Archer DF, Leslie S, Charnock-Jones DS, Makkink WK, Smith SK: The effect of etonogestrel on VEGF, oestrogen and progesterone receptor immunoreactivity and endothelial cell number in human endometrium. Hum Reprod. 1999 Dec;14(12):3080-7.@@Charnock-Jones DS, Macpherson AM, Archer DF, Leslie S, Makkink WK, Sharkey AM, Smith SK: The effect of progestins on vascular endothelial growth factor, oestrogen receptor and progesterone receptor immunoreactivity and endothelial cell density in human endometrium. Hum Reprod. 2000 Aug;15 Suppl 3:85-95.@@Sitruk-Ware R: Pharmacological profile of progestins. Maturitas. 2004 Apr 15;47(4):277-83.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Progesterone Congeners; Intravaginal Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Combination Contraceptives (with Estrogen and derivatives); Contraceptive Agents, Female; Reproductive Control Agents" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] 13323 46505321 PA164771231 DAP000855 Etonogestrel CHEMBL1531 14584 DB00295 Morphine BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 16530171; 16580639; 16580848; 16682505; 11752352; 8764759 "Yamada H, Shimoyama N, Sora I, Uhl GR, Fukuda Y, Moriya H, Shimoyama M: Morphine can produce analgesia via spinal kappa opioid receptors in the absence of mu opioid receptors. Brain Res. 2006 Apr 14;1083(1):61-9. Epub 2006 Mar 10.@@Choi HS, Kim CS, Hwang CK, Song KY, Wang W, Qiu Y, Law PY, Wei LN, Loh HH: The opioid ligand binding of human mu-opioid receptor is modulated by novel splice variants of the receptor. Biochem Biophys Res Commun. 2006 May 19;343(4):1132-40. Epub 2006 Mar 23.@@Castro RR, Cunha FQ, Silva FS Jr, Rocha FA: A quantitative approach to measure joint pain in experimental osteoarthritis--evidence of a role for nitric oxide. Osteoarthritis Cartilage. 2006 Aug;14(8):769-76. Epub 2006 Mar 31.@@Johnson EA, Oldfield S, Braksator E, Gonzalez-Cuello A, Couch D, Hall KJ, Mundell SJ, Bailey CP, Kelly E, Henderson G: Agonist-selective mechanisms of mu-opioid receptor desensitization in human embryonic kidney 293 cells. Mol Pharmacol. 2006 Aug;70(2):676-85. Epub 2006 May 8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Raffa RB: A novel approach to the pharmacology of analgesics. Am J Med. 1996 Jul 31;101(1A):40S-46S. doi: 10.1016/s0002-9343(96)00137-4." Approved; Investigational Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Sensory System Agents; UGT2B7 substrates; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neuraxial Anesthetics; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Natural Opium Alkaloids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Anesthetics; P-glycoprotein substrates; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Central Nervous System Agents; UGT1A1 Substrates; Nervous System; Opiate Alkaloids; Opioids" [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O Heroin Metabolism Pathway; Codeine Metabolism Pathway; Morphine Action Pathway; Heroin Action Pathway; Codeine Action Pathway; Morphine Metabolism Pathway drug_metabolism; drug_action 10094 46505161 D08233 PA450550 DAP000071 Morphine CHEMBL70 7052 DB00295 Morphine BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 16530171; 16534251; 16539674; 16650582; 16678156; 11752352; 12015197 "Yamada H, Shimoyama N, Sora I, Uhl GR, Fukuda Y, Moriya H, Shimoyama M: Morphine can produce analgesia via spinal kappa opioid receptors in the absence of mu opioid receptors. Brain Res. 2006 Apr 14;1083(1):61-9. Epub 2006 Mar 10.@@Dortch-Carnes J, Russell KR: Morphine-induced reduction of intraocular pressure and pupil diameter: role of nitric oxide. Pharmacology. 2006;77(1):17-24. Epub 2006 Mar 13.@@Koch T, Wu DF, Yang LQ, Brandenburg LO, Hollt V: Role of phospholipase D2 in the agonist-induced and constitutive endocytosis of G-protein coupled receptors. J Neurochem. 2006 Apr;97(2):365-72. Epub 2006 Mar 15.@@Galeotti N, Stefano GB, Guarna M, Bianchi E, Ghelardini C: Signaling pathway of morphine induced acute thermal hyperalgesia in mice. Pain. 2006 Aug;123(3):294-305. Epub 2006 May 2.@@Asensio VJ, Miralles A, Garcia-Sevilla JA: Stimulation of mitogen-activated protein kinase kinases (MEK1/2) by mu-, delta- and kappa-opioid receptor agonists in the rat brain: regulation by chronic morphine and opioid withdrawal. Eur J Pharmacol. 2006 Jun 6;539(1-2):49-56. Epub 2006 Apr 6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kieffer BL, Gaveriaux-Ruff C: Exploring the opioid system by gene knockout. Prog Neurobiol. 2002 Apr;66(5):285-306." Approved; Investigational Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Sensory System Agents; UGT2B7 substrates; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neuraxial Anesthetics; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Natural Opium Alkaloids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Anesthetics; P-glycoprotein substrates; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Central Nervous System Agents; UGT1A1 Substrates; Nervous System; Opiate Alkaloids; Opioids" [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O Heroin Metabolism Pathway; Codeine Metabolism Pathway; Morphine Action Pathway; Heroin Action Pathway; Codeine Action Pathway; Morphine Metabolism Pathway drug_metabolism; drug_action 10094 46505161 D08233 PA450550 DAP000071 Morphine CHEMBL70 7052 DB00298 Dapiprazole BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 1972008; 9401944 "Allinson RW, Gerber DS, Bieber S, Hodes BL: Reversal of mydriasis by dapiprazole. Ann Ophthalmol. 1990 Apr;22(4):131-3, 138.@@Eltze M: Affinity of the miotic drug, dapiprazole, at alpha 1-adrenoceptor subtypes A, B and D. J Pharm Pharmacol. 1997 Nov;49(11):1091-5." Approved Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Antipsychotic Agents; Ophthalmologicals; Central Nervous System Agents; Central Nervous System Depressants; Tranquilizing Agents; Adrenergic Antagonists; Sensory Organs; Adrenergic alpha-1 Receptor Antagonists; Neurotransmitter Agents; Antiglaucoma Preparations and Miotics; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents; Neurotoxic agents; Ophthalmics CC1=CC=CC=C1N1CCN(CCC2=NN=C3CCCCN23)CC1 46508859 D07775 PA164749109 DAP000298 Dapiprazole CHEMBL1201216 22298 DB00304 Desogestrel BE0000557 PGR P06401 PRGR_HUMAN agonist 6645495; 7750284; 3139361; 10601100; 11041225; 11752352 "Bergink EW, van Meel F, Turpijn EW, van der Vies J: Binding of progestagens to receptor proteins in MCF-7 cells. J Steroid Biochem. 1983 Nov;19(5):1563-70.@@Fuhrmann U, Slater EP, Fritzemeier KH: Characterization of the novel progestin gestodene by receptor binding studies and transactivation assays. Contraception. 1995 Jan;51(1):45-52.@@Kloosterboer HJ, Vonk-Noordegraaf CA, Turpijn EW: Selectivity in progesterone and androgen receptor binding of progestagens used in oral contraceptives. Contraception. 1988 Sep;38(3):325-32.@@Macpherson AM, Archer DF, Leslie S, Charnock-Jones DS, Makkink WK, Smith SK: The effect of etonogestrel on VEGF, oestrogen and progesterone receptor immunoreactivity and endothelial cell number in human endometrium. Hum Reprod. 1999 Dec;14(12):3080-7.@@Charnock-Jones DS, Macpherson AM, Archer DF, Leslie S, Makkink WK, Sharkey AM, Smith SK: The effect of progestins on vascular endothelial growth factor, oestrogen receptor and progesterone receptor immunoreactivity and endothelial cell density in human endometrium. Hum Reprod. 2000 Aug;15 Suppl 3:85-95.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; UGT1A1 Inducers; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Cytochrome P-450 CYP2C9 Substrates; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H] 660 46505739 D02367 PA449238 DAP001209 Desogestrel CHEMBL1533 22656 DB00304 Desogestrel BE0000123 ESR1 P03372 ESR1_HUMAN agonist 7750284; 10836199; 2175153 "Fuhrmann U, Slater EP, Fritzemeier KH: Characterization of the novel progestin gestodene by receptor binding studies and transactivation assays. Contraception. 1995 Jan;51(1):45-52.@@Rabe T, Bohlmann MK, Rehberger-Schneider S, Prifti S: Induction of estrogen receptor-alpha and -beta activities by synthetic progestins. Gynecol Endocrinol. 2000 Apr;14(2):118-26.@@Juchem M, Pollow K: Binding of oral contraceptive progestogens to serum proteins and cytoplasmic receptor. Am J Obstet Gynecol. 1990 Dec;163(6 Pt 2):2171-83. doi: 10.1016/0002-9378(90)90559-p." Approved Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; UGT1A1 Inducers; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Cytochrome P-450 CYP2C9 Substrates; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H] 660 46505739 D02367 PA449238 DAP001209 Desogestrel CHEMBL1533 22656 DB00306 Talbutal BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 11264449; 10209232 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics" CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O 46507821 D06887 PA164779051 DAP000670 Talbutal CHEMBL1200802 89810 DB00306 Talbutal BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 14579514; 10209232; 10487207; 11264449; 11752352; 17139284; 17016423 "Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics" CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O 46507821 D06887 PA164779051 DAP000670 Talbutal CHEMBL1200802 89810 DB00306 Talbutal BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 11264449; 16248797; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics" CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O 46507821 D06887 PA164779051 DAP000670 Talbutal CHEMBL1200802 89810 DB00306 Talbutal BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics" CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O 46507821 D06887 PA164779051 DAP000670 Talbutal CHEMBL1200802 89810 DB00306 Talbutal BE0000826 GRIK2 Q13002 GRIK2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics" CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O 46507821 D06887 PA164779051 DAP000670 Talbutal CHEMBL1200802 89810 DB00307 Bexarotene BE0000412 RXRA P19793 RXRA_HUMAN agonist 11702369; 18765556; 17483357; 17008586; 15897247; 16495926; 14700480; 15632250; 15056048 "Lowe MN, Plosker GL: Bexarotene. Am J Clin Dermatol. 2000 Jul-Aug;1(4):245-50; discussion 251-2.@@Tsai DE, Luger SM, Andreadis C, Vogl DT, Kemner A, Potuzak M, Goradia A, Loren AW, Perl AE, Schuster SJ, Porter DL, Stadtmauer EA, Goldstein SC, Thompson JE, Swider C, Bagg A, Mato AR, Carroll M: A phase I study of bexarotene, a retinoic X receptor agonist, in non-M3 acute myeloid leukemia. Clin Cancer Res. 2008 Sep 1;14(17):5619-25. doi: 10.1158/1078-0432.CCR-07-5185.@@Tooker P, Yen WC, Ng SC, Negro-Vilar A, Hermann TW: Bexarotene (LGD1069, Targretin), a selective retinoid X receptor agonist, prevents and reverses gemcitabine resistance in NSCLC cells by modulating gene amplification. Cancer Res. 2007 May 1;67(9):4425-33.@@Lalloyer F, Fievet C, Lestavel S, Torpier G, van der Veen J, Touche V, Bultel S, Yous S, Kuipers F, Paumelle R, Fruchart JC, Staels B, Tailleux A: The RXR agonist bexarotene improves cholesterol homeostasis and inhibits atherosclerosis progression in a mouse model of mixed dyslipidemia. Arterioscler Thromb Vasc Biol. 2006 Dec;26(12):2731-7. Epub 2006 Sep 28.@@Yen WC, Lamph WW: The selective retinoid X receptor agonist bexarotene (LGD1069, Targretin) prevents and overcomes multidrug resistance in advanced breast carcinoma. Mol Cancer Ther. 2005 May;4(5):824-34.@@Yen WC, Prudente RY, Corpuz MR, Negro-Vilar A, Lamph WW: A selective retinoid X receptor agonist bexarotene (LGD1069, targretin) inhibits angiogenesis and metastasis in solid tumours. Br J Cancer. 2006 Mar 13;94(5):654-60.@@Rizvi N, Hawkins MJ, Eisenberg PD, Yocum RC, Reich SD: Placebo-controlled trial of bexarotene, a retinoid x receptor agonist, as maintenance therapy for patients treated with chemotherapy for advanced non-small-cell lung cancer. Clin Lung Cancer. 2001 Feb;2(3):210-5.@@Rigas JR, Dragnev KH: Emerging role of rexinoids in non-small cell lung cancer: focus on bexarotene. Oncologist. 2005 Jan;10(1):22-33.@@Farol LT, Hymes KB: Bexarotene: a clinical review. Expert Rev Anticancer Ther. 2004 Apr;4(2):180-8." Approved; Investigational Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Myelosuppressive Agents; Retinoids for cancer treatment; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (moderate); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A4 Inducers; Cyclohexanes; Antineoplastic Agents; Cytochrome P-450 CYP3A4 Substrates; Retinoids; Compounds used in a research, industrial, or household setting; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Naphthalenes; Cytochrome P-450 CYP3A Inducers" CC1=CC2=C(C=C1C(=C)C1=CC=C(C=C1)C(O)=O)C(C)(C)CCC2(C)C 46509119 D03106 PA164752250 DAP000276 Bexarotene CHEMBL1023 233272 DB00307 Bexarotene BE0000707 RXRG P48443 RXRG_HUMAN agonist 11702369; 18765556; 17483357; 17008586; 15897247; 16495926; 14700480; 15632250; 15056048 "Lowe MN, Plosker GL: Bexarotene. Am J Clin Dermatol. 2000 Jul-Aug;1(4):245-50; discussion 251-2.@@Tsai DE, Luger SM, Andreadis C, Vogl DT, Kemner A, Potuzak M, Goradia A, Loren AW, Perl AE, Schuster SJ, Porter DL, Stadtmauer EA, Goldstein SC, Thompson JE, Swider C, Bagg A, Mato AR, Carroll M: A phase I study of bexarotene, a retinoic X receptor agonist, in non-M3 acute myeloid leukemia. Clin Cancer Res. 2008 Sep 1;14(17):5619-25. doi: 10.1158/1078-0432.CCR-07-5185.@@Tooker P, Yen WC, Ng SC, Negro-Vilar A, Hermann TW: Bexarotene (LGD1069, Targretin), a selective retinoid X receptor agonist, prevents and reverses gemcitabine resistance in NSCLC cells by modulating gene amplification. Cancer Res. 2007 May 1;67(9):4425-33.@@Lalloyer F, Fievet C, Lestavel S, Torpier G, van der Veen J, Touche V, Bultel S, Yous S, Kuipers F, Paumelle R, Fruchart JC, Staels B, Tailleux A: The RXR agonist bexarotene improves cholesterol homeostasis and inhibits atherosclerosis progression in a mouse model of mixed dyslipidemia. Arterioscler Thromb Vasc Biol. 2006 Dec;26(12):2731-7. Epub 2006 Sep 28.@@Yen WC, Lamph WW: The selective retinoid X receptor agonist bexarotene (LGD1069, Targretin) prevents and overcomes multidrug resistance in advanced breast carcinoma. Mol Cancer Ther. 2005 May;4(5):824-34.@@Yen WC, Prudente RY, Corpuz MR, Negro-Vilar A, Lamph WW: A selective retinoid X receptor agonist bexarotene (LGD1069, targretin) inhibits angiogenesis and metastasis in solid tumours. Br J Cancer. 2006 Mar 13;94(5):654-60.@@Rizvi N, Hawkins MJ, Eisenberg PD, Yocum RC, Reich SD: Placebo-controlled trial of bexarotene, a retinoid x receptor agonist, as maintenance therapy for patients treated with chemotherapy for advanced non-small-cell lung cancer. Clin Lung Cancer. 2001 Feb;2(3):210-5.@@Rigas JR, Dragnev KH: Emerging role of rexinoids in non-small cell lung cancer: focus on bexarotene. Oncologist. 2005 Jan;10(1):22-33.@@Farol LT, Hymes KB: Bexarotene: a clinical review. Expert Rev Anticancer Ther. 2004 Apr;4(2):180-8." Approved; Investigational Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Myelosuppressive Agents; Retinoids for cancer treatment; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (moderate); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A4 Inducers; Cyclohexanes; Antineoplastic Agents; Cytochrome P-450 CYP3A4 Substrates; Retinoids; Compounds used in a research, industrial, or household setting; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Naphthalenes; Cytochrome P-450 CYP3A Inducers" CC1=CC2=C(C=C1C(=C)C1=CC=C(C=C1)C(O)=O)C(C)(C)CCC2(C)C 46509119 D03106 PA164752250 DAP000276 Bexarotene CHEMBL1023 233272 DB00308 Ibutilide BE0000430 CACNA1C Q13936 CAC1C_HUMAN activator 15926871; 9257085; 11752352 "Doggrell SA, Hancox JC: Ibutilide--recent molecular insights and accumulating evidence for use in atrial flutter and fibrillation. Expert Opin Investig Drugs. 2005 May;14(5):655-69.@@Foster RH, Wilde MI, Markham A: Ibutilide. A review of its pharmacological properties and clinical potential in the acute management of atrial flutter and fibrillation. Drugs. 1997 Aug;54(2):312-30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines "Antiarrhythmic agents; Cardiovascular Agents; QTc Prolonging Agents; Sulfones; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Antiarrhythmics, Class III" CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1 Ibutilide Action Pathway drug_action 12005 46507904 D00648 PA449958 DAP000279 Ibutilide CHEMBL533 41289 DB00308 Ibutilide BE0000691 CACNA2D1 P54289 CA2D1_HUMAN activator 15926871; 9257085 "Doggrell SA, Hancox JC: Ibutilide--recent molecular insights and accumulating evidence for use in atrial flutter and fibrillation. Expert Opin Investig Drugs. 2005 May;14(5):655-69.@@Foster RH, Wilde MI, Markham A: Ibutilide. A review of its pharmacological properties and clinical potential in the acute management of atrial flutter and fibrillation. Drugs. 1997 Aug;54(2):312-30." Approved Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines "Antiarrhythmic agents; Cardiovascular Agents; QTc Prolonging Agents; Sulfones; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Antiarrhythmics, Class III" CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1 Ibutilide Action Pathway drug_action 12005 46507904 D00648 PA449958 DAP000279 Ibutilide CHEMBL533 41289 DB00308 Ibutilide BE0000679 CACNG1 Q06432 CCG1_HUMAN activator 15926871; 9257085 "Doggrell SA, Hancox JC: Ibutilide--recent molecular insights and accumulating evidence for use in atrial flutter and fibrillation. Expert Opin Investig Drugs. 2005 May;14(5):655-69.@@Foster RH, Wilde MI, Markham A: Ibutilide. A review of its pharmacological properties and clinical potential in the acute management of atrial flutter and fibrillation. Drugs. 1997 Aug;54(2):312-30." Approved Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines "Antiarrhythmic agents; Cardiovascular Agents; QTc Prolonging Agents; Sulfones; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Antiarrhythmics, Class III" CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1 Ibutilide Action Pathway drug_action 12005 46507904 D00648 PA449958 DAP000279 Ibutilide CHEMBL533 41289 DB00308 Ibutilide BE0000154 KCNK1 O00180 KCNK1_HUMAN inhibitor 15926871; 9257085 "Doggrell SA, Hancox JC: Ibutilide--recent molecular insights and accumulating evidence for use in atrial flutter and fibrillation. Expert Opin Investig Drugs. 2005 May;14(5):655-69.@@Foster RH, Wilde MI, Markham A: Ibutilide. A review of its pharmacological properties and clinical potential in the acute management of atrial flutter and fibrillation. Drugs. 1997 Aug;54(2):312-30." Approved Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines "Antiarrhythmic agents; Cardiovascular Agents; QTc Prolonging Agents; Sulfones; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Antiarrhythmics, Class III" CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1 Ibutilide Action Pathway drug_action 12005 46507904 D00648 PA449958 DAP000279 Ibutilide CHEMBL533 41289 DB00308 Ibutilide BE0000699 KCNH7 Q9NS40 KCNH7_HUMAN inhibitor 15926871; 9257085 "Doggrell SA, Hancox JC: Ibutilide--recent molecular insights and accumulating evidence for use in atrial flutter and fibrillation. Expert Opin Investig Drugs. 2005 May;14(5):655-69.@@Foster RH, Wilde MI, Markham A: Ibutilide. A review of its pharmacological properties and clinical potential in the acute management of atrial flutter and fibrillation. Drugs. 1997 Aug;54(2):312-30." Approved Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines "Antiarrhythmic agents; Cardiovascular Agents; QTc Prolonging Agents; Sulfones; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Antiarrhythmics, Class III" CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1 Ibutilide Action Pathway drug_action 12005 46507904 D00648 PA449958 DAP000279 Ibutilide CHEMBL533 41289 DB00309 Vindesine BE0000026 TUBB1 Q9H4B7 TBB1_HUMAN inhibitor 17139284; 17016423; 10920282; 17465195; 17878523 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Natsume T, Watanabe J, Tamaoki S, Fujio N, Miyasaka K, Kobayashi M: Characterization of the interaction of TZT-1027, a potent antitumor agent, with tubulin. Jpn J Cancer Res. 2000 Jul;91(7):737-47.@@Yoshida M, Matsui Y, Ikarashi Y, Usui T, Osada H, Wakasugi H: Antiproliferating activity of the mitotic inhibitor pironetin against vindesine- and paclitaxel-resistant human small cell lung cancer H69 cells. Anticancer Res. 2007 Mar-Apr;27(2):729-36.@@Fiebig HH, Schuler J, Bausch N, Hofmann M, Metz T, Korrat A: Gene signatures developed from patient tumor explants grown in nude mice to predict tumor response to 11 cytotoxic drugs. Cancer Genomics Proteomics. 2007 May-Jun;4(3):197-209." Approved; Investigational "Tubulin Modulators; Myelosuppressive Agents; Antimitotic Agents; Indolizidines; Cytochrome P-450 CYP3A Substrates; Indoles; Vinca Alkaloids; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Alkaloids; Antineoplastic Agents; Secologanin Tryptamine Alkaloids; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Antineoplastic Agents, Phytogenic; Cytochrome P-450 CYP3A4 Substrates; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs; Indolizines" [H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(N)=O)[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=C2C=CC=C1)C(=O)OC Vindesine Action Pathway drug_action 1758 46504548 D01769 PA10232 DAP000949 Vindesine CHEMBL238071 11204 DB00311 Ethoxzolamide BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 18336310 "Mincione F, Scozzafava A, Supuran CT: The development of topically acting carbonic anhydrase inhibitors as antiglaucoma agents. Curr Pharm Des. 2008;14(7):649-54." Withdrawn Benzothiazoles Organic compounds; Organoheterocyclic compounds; Benzothiazoles "Natriuretic Agents; Heterocyclic Compounds, Fused-Ring; Thiazoles; Sulfones; Enzyme Inhibitors; Diuretics; OAT1/SLC22A6 inhibitors; Sulfur Compounds; Amides; Benzothiazoles; Sulfonamides; Carbonic Anhydrase Inhibitors" CCOC1=CC2=C(C=C1)N=C(S2)S(N)(=O)=O 46509023 D02441 PA164754743 DAP000598 Ethoxzolamide CHEMBL18 DB00311 Ethoxzolamide BE0003625 CA3 P07451 CAH3_HUMAN inhibitor 17826101 "Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25." Withdrawn Benzothiazoles Organic compounds; Organoheterocyclic compounds; Benzothiazoles "Natriuretic Agents; Heterocyclic Compounds, Fused-Ring; Thiazoles; Sulfones; Enzyme Inhibitors; Diuretics; OAT1/SLC22A6 inhibitors; Sulfur Compounds; Amides; Benzothiazoles; Sulfonamides; Carbonic Anhydrase Inhibitors" CCOC1=CC2=C(C=C1)N=C(S2)S(N)(=O)=O 46509023 D02441 PA164754743 DAP000598 Ethoxzolamide CHEMBL18 DB00312 Pentobarbital BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 11744750; 14579514; 10209232; 10487207; 11264449; 11605100; 16866778; 15240758; 11752352; 17139284; 17016423 "Steinbach JH, Akk G: Modulation of GABA(A) receptor channel gating by pentobarbital. J Physiol. 2001 Dec 15;537(Pt 3):715-33.@@Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Davies DL, McCauley LD, Bolger MB, Alkana RL: Pressure-sensitive and -insensitive coupling in gamma-aminobutyric acid(A) receptors. Psychopharmacology (Berl). 2001 Oct;157(4):401-10.@@Rahman M, Zhu D, Lindblad C, Johansson IM, Holmberg E, Isaksson M, Taube M, Backstrom T, Wang MD: GABA-site antagonism and pentobarbital actions do not depend on the alpha-subunit type in the recombinant rat GABA receptor. Acta Physiol (Oxf). 2006 Aug;187(4):479-88.@@Feigenspan A, Weiler R: Electrophysiological properties of mouse horizontal cell GABAA receptors. J Neurophysiol. 2004 Nov;92(5):2789-801. Epub 2004 Jul 7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Investigational; Vet_approved Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2A6 Inducers (strong); Anticonvulsants" CCCC(C)C1(CC)C(=O)NC(=O)NC1=O 8230 46508399 D00499 PA450859 DAP000671 Pentobarbital CHEMBL448 8004 DB00312 Pentobarbital BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 11264449; 10209232 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217." Approved; Investigational; Vet_approved Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2A6 Inducers (strong); Anticonvulsants" CCCC(C)C1(CC)C(=O)NC(=O)NC1=O 8230 46508399 D00499 PA450859 DAP000671 Pentobarbital CHEMBL448 8004 DB00312 Pentobarbital BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 11264449; 16248797; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Investigational; Vet_approved Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2A6 Inducers (strong); Anticonvulsants" CCCC(C)C1(CC)C(=O)NC(=O)NC1=O 8230 46508399 D00499 PA450859 DAP000671 Pentobarbital CHEMBL448 8004 DB00312 Pentobarbital BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Investigational; Vet_approved Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2A6 Inducers (strong); Anticonvulsants" CCCC(C)C1(CC)C(=O)NC(=O)NC1=O 8230 46508399 D00499 PA450859 DAP000671 Pentobarbital CHEMBL448 8004 DB00312 Pentobarbital BE0000826 GRIK2 Q13002 GRIK2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Investigational; Vet_approved Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2A6 Inducers (strong); Anticonvulsants" CCCC(C)C1(CC)C(=O)NC(=O)NC1=O 8230 46508399 D00499 PA450859 DAP000671 Pentobarbital CHEMBL448 8004 DB00313 Valproic acid BE0000881 HDAC9 Q9UKV0 HDAC9_HUMAN inhibitor 15166525; 15242819; 15289798; 15685243; 15850602; 17514356; 20811699 "Ylisastigui L, Archin NM, Lehrman G, Bosch RJ, Margolis DM: Coaxing HIV-1 from resting CD4 T cells: histone deacetylase inhibition allows latent viral expression. AIDS. 2004 May 21;18(8):1101-8.@@Michaelis M, Kohler N, Reinisch A, Eikel D, Gravemann U, Doerr HW, Nau H, Cinatl J Jr: Increased human cytomegalovirus replication in fibroblasts after treatment with therapeutical plasma concentrations of valproic acid. Biochem Pharmacol. 2004 Aug 1;68(3):531-8.@@Kanai H, Sawa A, Chen RW, Leeds P, Chuang DM: Valproic acid inhibits histone deacetylase activity and suppresses excitotoxicity-induced GAPDH nuclear accumulation and apoptotic death in neurons. Pharmacogenomics J. 2004;4(5):336-44.@@Stockhausen MT, Sjolund J, Manetopoulos C, Axelson H: Effects of the histone deacetylase inhibitor valproic acid on Notch signalling in human neuroblastoma cells. Br J Cancer. 2005 Feb 28;92(4):751-9.@@Beutler AS, Li S, Nicol R, Walsh MJ: Carbamazepine is an inhibitor of histone deacetylases. Life Sci. 2005 May 13;76(26):3107-15.@@Rosenberg G: The mechanisms of action of valproate in neuropsychiatric disorders: can we see the forest for the trees? Cell Mol Life Sci. 2007 Aug;64(16):2090-103.@@Kawano T, Akiyama M, Agawa-Ohta M, Mikami-Terao Y, Iwase S, Yanagisawa T, Ida H, Agata N, Yamada H: Histone deacetylase inhibitors valproic acid and depsipeptide sensitize retinoblastoma cells to radiotherapy by increasing H2AX phosphorylation and p53 acetylation-phosphorylation. Int J Oncol. 2010 Oct;37(4):787-95." Approved; Investigational Methyl-branched fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCC(CCC)C(O)=O Valproic Acid Metabolism Pathway drug_metabolism 2115 46505925 D00399 PA451846 DNC001659 Valproate CHEMBL109 11118 DB00313 Valproic acid BE0000573 ACADSB P45954 ACDSB_HUMAN inhibitor 2112956; 16344985 "Ito M, Ikeda Y, Arnez JG, Finocchiaro G, Tanaka K: The enzymatic basis for the metabolism and inhibitory effects of valproic acid: dehydrogenation of valproyl-CoA by 2-methyl-branched-chain acyl-CoA dehydrogenase. Biochim Biophys Acta. 1990 May 16;1034(2):213-8.@@Bazinet RP, Weis MT, Rapoport SI, Rosenberger TA: Valproic acid selectively inhibits conversion of arachidonic acid to arachidonoyl-CoA by brain microsomal long-chain fatty acyl-CoA synthetases: relevance to bipolar disorder. Psychopharmacology (Berl). 2006 Jan;184(1):122-9. Epub 2005 Dec 13." Approved; Investigational Methyl-branched fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCC(CCC)C(O)=O Valproic Acid Metabolism Pathway drug_metabolism 2115 46505925 D00399 PA451846 DNC001659 Valproate CHEMBL109 11118 DB00313 Valproic acid BE0000162 OGDH Q02218 ODO1_HUMAN inhibitor 12847559 "Johannessen CU, Johannessen SI: Valproate: past, present, and future. CNS Drug Rev. 2003 Summer;9(2):199-216." Approved; Investigational Methyl-branched fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCC(CCC)C(O)=O Valproic Acid Metabolism Pathway drug_metabolism 2115 46505925 D00399 PA451846 DNC001659 Valproate CHEMBL109 11118 DB00313 Valproic acid BE0000152 ALDH5A1 P51649 SSDH_HUMAN inhibitor 12847559 "Johannessen CU, Johannessen SI: Valproate: past, present, and future. CNS Drug Rev. 2003 Summer;9(2):199-216." Approved; Investigational Methyl-branched fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCC(CCC)C(O)=O Valproic Acid Metabolism Pathway drug_metabolism 2115 46505925 D00399 PA451846 DNC001659 Valproate CHEMBL109 11118 DB00313 Valproic acid BE0002366 HDAC2 Q92769 HDAC2_HUMAN inhibitor 12840003; 15124690 "Kramer OH, Zhu P, Ostendorff HP, Golebiewski M, Tiefenbach J, Peters MA, Brill B, Groner B, Bach I, Heinzel T, Gottlicher M: The histone deacetylase inhibitor valproic acid selectively induces proteasomal degradation of HDAC2. EMBO J. 2003 Jul 1;22(13):3411-20.@@Gottlicher M: Valproic acid: an old drug newly discovered as inhibitor of histone deacetylases. Ann Hematol. 2004;83 Suppl 1:S91-2." Approved; Investigational Methyl-branched fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCC(CCC)C(O)=O Valproic Acid Metabolism Pathway drug_metabolism 2115 46505925 D00399 PA451846 DNC001659 Valproate CHEMBL109 11118 DB00313 Valproic acid BE0000071 PPARA Q07869 PPARA_HUMAN 24489787 "Szalowska E, van der Burg B, Man HY, Hendriksen PJ, Peijnenburg AA: Model steatogenic compounds (amiodarone, valproic acid, and tetracycline) alter lipid metabolism by different mechanisms in mouse liver slices. PLoS One. 2014 Jan 29;9(1):e86795. doi: 10.1371/journal.pone.0086795. eCollection 2014." Approved; Investigational Methyl-branched fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCC(CCC)C(O)=O Valproic Acid Metabolism Pathway drug_metabolism 2115 46505925 D00399 PA451846 DNC001659 Valproate CHEMBL109 11118 DB00313 Valproic acid BE0001007 PPARD Q03181 PPARD_HUMAN 24489787 "Szalowska E, van der Burg B, Man HY, Hendriksen PJ, Peijnenburg AA: Model steatogenic compounds (amiodarone, valproic acid, and tetracycline) alter lipid metabolism by different mechanisms in mouse liver slices. PLoS One. 2014 Jan 29;9(1):e86795. doi: 10.1371/journal.pone.0086795. eCollection 2014." Approved; Investigational Methyl-branched fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCC(CCC)C(O)=O Valproic Acid Metabolism Pathway drug_metabolism 2115 46505925 D00399 PA451846 DNC001659 Valproate CHEMBL109 11118 DB00313 Valproic acid BE0000215 PPARG P37231 PPARG_HUMAN 24489787 "Szalowska E, van der Burg B, Man HY, Hendriksen PJ, Peijnenburg AA: Model steatogenic compounds (amiodarone, valproic acid, and tetracycline) alter lipid metabolism by different mechanisms in mouse liver slices. PLoS One. 2014 Jan 29;9(1):e86795. doi: 10.1371/journal.pone.0086795. eCollection 2014." Approved; Investigational Methyl-branched fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCC(CCC)C(O)=O Valproic Acid Metabolism Pathway drug_metabolism 2115 46505925 D00399 PA451846 DNC001659 Valproate CHEMBL109 11118 DB00313 Valproic acid BE0008667 HDAC1 Q9UKV0 HDAC9_HUMAN inhibitor 28812434; 14576182; 19115247; 15870934; 12678732; 30562925; 18053801 "Booth L, Roberts JL, Poklepovic A, Dent P: [pemetrexed + sildenafil], via autophagy-dependent HDAC downregulation, enhances the immunotherapy response of NSCLC cells. Cancer Biol Ther. 2017 Sep 2;18(9):705-714. doi: 10.1080/15384047.2017.1362511.@@Nelson-DeGrave VL, Wickenheisser JK, Cockrell JE, Wood JR, Legro RS, Strauss JF 3rd, McAllister JM: Valproate potentiates androgen biosynthesis in human ovarian theca cells. Endocrinology. 2004 Feb;145(2):799-808. Epub 2003 Oct 23.@@Chabane N, Li X, Fahmi H: HDAC4 contributes to IL-1-induced mPGES-1 expression in human synovial fibroblasts through up-regulation of Egr-1 transcriptional activity. J Cell Biochem. 2009 Feb 15;106(3):453-63. doi: 10.1002/jcb.22027.@@Rocchi P, Tonelli R, Camerin C, Purgato S, Fronza R, Bianucci F, Guerra F, Pession A, Ferreri AM: p21Waf1/Cip1 is a common target induced by short-chain fatty acid HDAC inhibitors (valproic acid, tributyrin and sodium butyrate) in neuroblastoma cells. Oncol Rep. 2005 Jun;13(6):1139-44.@@Kouraklis G, Theocharis S: Histone deacetylase inhibitors and anticancer therapy. Curr Med Chem Anticancer Agents. 2002 Jul;2(4):477-84. doi: 10.2174/1568011023353921.@@Chang MC, Chen YJ, Lian YC, Chang BE, Huang CC, Huang WL, Pan YH, Jeng JH: Butyrate Stimulates Histone H3 Acetylation, 8-Isoprostane Production, RANKL Expression, and Regulated Osteoprotegerin Expression/Secretion in MG-63 Osteoblastic Cells. Int J Mol Sci. 2018 Dec 17;19(12). pii: ijms19124071. doi: 10.3390/ijms19124071.@@Matsumoto Y, Motoki T, Kubota S, Takigawa M, Tsubouchi H, Gohda E: Inhibition of tumor-stromal interaction through HGF/Met signaling by valproic acid. Biochem Biophys Res Commun. 2008 Feb 1;366(1):110-6. doi: 10.1016/j.bbrc.2007.11.089. Epub 2007 Nov 29." Approved; Investigational Methyl-branched fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCC(CCC)C(O)=O Valproic Acid Metabolism Pathway drug_metabolism 2115 46505925 D00399 PA451846 DNC001659 Valproate CHEMBL109 11118 DB00313 Valproic acid BE0000404 ODC1 P11926 DCOR_HUMAN downregulator 28812434 "Booth L, Roberts JL, Poklepovic A, Dent P: [pemetrexed + sildenafil], via autophagy-dependent HDAC downregulation, enhances the immunotherapy response of NSCLC cells. Cancer Biol Ther. 2017 Sep 2;18(9):705-714. doi: 10.1080/15384047.2017.1362511." Approved; Investigational Methyl-branched fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCC(CCC)C(O)=O Valproic Acid Metabolism Pathway drug_metabolism 2115 46505925 D00399 PA451846 DNC001659 Valproate CHEMBL109 11118 DB00313 Valproic acid BE0003441 CD274 Q9NZQ7 PD1L1_HUMAN downregulator 28812434 "Booth L, Roberts JL, Poklepovic A, Dent P: [pemetrexed + sildenafil], via autophagy-dependent HDAC downregulation, enhances the immunotherapy response of NSCLC cells. Cancer Biol Ther. 2017 Sep 2;18(9):705-714. doi: 10.1080/15384047.2017.1362511." Approved; Investigational Methyl-branched fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCC(CCC)C(O)=O Valproic Acid Metabolism Pathway drug_metabolism 2115 46505925 D00399 PA451846 DNC001659 Valproate CHEMBL109 11118 DB00315 Zolmitriptan BE0000476 HTR1E P28566 5HT1E_HUMAN agonist 29352859; 9399012 "Rubio-Beltran E, Labastida-Ramirez A, Villalon CM, MaassenVanDenBrink A: Is selective 5-HT1F receptor agonism an entity apart from that of the triptans in antimigraine therapy? Pharmacol Ther. 2018 Jun;186:88-97. doi: 10.1016/j.pharmthera.2018.01.005. Epub 2018 Jan 17.@@Martin GR: Pre-clinical pharmacology of zolmitriptan (Zomig; formerly 311C90), a centrally and peripherally acting 5HT1B/1D agonist for migraine. Cephalalgia. 1997 Oct;17 Suppl 18:4-14." Approved; Investigational Tryptamines and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives "Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Selective Serotonin Agonists; Triptans; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Analgesics; Oxazoles; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCC1=CNC2=CC=C(C[C@H]3COC(=O)N3)C=C12 11793 46506452 D00415 PA451975 DAP000077 Zolmitriptan CHEMBL1185 135775 DB00315 Zolmitriptan BE0000650 HTR7 P34969 5HT7R_HUMAN agonist 29352859 "Rubio-Beltran E, Labastida-Ramirez A, Villalon CM, MaassenVanDenBrink A: Is selective 5-HT1F receptor agonism an entity apart from that of the triptans in antimigraine therapy? Pharmacol Ther. 2018 Jun;186:88-97. doi: 10.1016/j.pharmthera.2018.01.005. Epub 2018 Jan 17." Approved; Investigational Tryptamines and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives "Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Selective Serotonin Agonists; Triptans; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Analgesics; Oxazoles; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCC1=CNC2=CC=C(C[C@H]3COC(=O)N3)C=C12 11793 46506452 D00415 PA451975 DAP000077 Zolmitriptan CHEMBL1185 135775 DB00315 Zolmitriptan BE0000393 HTR2B P41595 5HT2B_HUMAN agonist 29352859 "Rubio-Beltran E, Labastida-Ramirez A, Villalon CM, MaassenVanDenBrink A: Is selective 5-HT1F receptor agonism an entity apart from that of the triptans in antimigraine therapy? Pharmacol Ther. 2018 Jun;186:88-97. doi: 10.1016/j.pharmthera.2018.01.005. Epub 2018 Jan 17." Approved; Investigational Tryptamines and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives "Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Selective Serotonin Agonists; Triptans; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Analgesics; Oxazoles; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCC1=CNC2=CC=C(C[C@H]3COC(=O)N3)C=C12 11793 46506452 D00415 PA451975 DAP000077 Zolmitriptan CHEMBL1185 135775 DB00316 Acetaminophen BE0002480 PTGES3 Q15185 TEBP_HUMAN inhibitor 15626590; 12242329 "Botting R, Ayoub SS: COX-3 and the mechanism of action of paracetamol/acetaminophen. Prostaglandins Leukot Essent Fatty Acids. 2005 Feb;72(2):85-7.@@Chandrasekharan NV, Dai H, Roos KL, Evanson NK, Tomsik J, Elton TS, Simmons DL: COX-3, a cyclooxygenase-1 variant inhibited by acetaminophen and other analgesic/antipyretic drugs: cloning, structure, and expression. Proc Natl Acad Sci U S A. 2002 Oct 15;99(21):13926-31. Epub 2002 Sep 19." Approved 1-hydroxy-2-unsubstituted benzenoids Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids "Sensory System Agents; Amines; Acetaminophen and Prodrugs; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Antipyretics; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Analgesics, Non-Narcotic; Anilides; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Methemoglobinemia Associated Agents; Aniline Compounds; Central Nervous System Agents; UGT1A9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Miscellaneous Analgesics and Antipyretics; Nervous System; Cytochrome P-450 CYP1A2 Substrates; UGT1A6 substrate" CC(=O)NC1=CC=C(O)C=C1 Acetaminophen Metabolism Pathway; Acetaminophen Action Pathway drug_metabolism; drug_action 270 46506142 D00217 PA448015 DAP001436 Paracetamol CHEMBL112 161 DB00317 Gefitinib BE0000767 EGFR P00533 EGFR_HUMAN antagonist 10815932; 11522647; 11566608; 11585753; 11673690; 11752352 "Ciardiello F, Caputo R, Bianco R, Damiano V, Pomatico G, De Placido S, Bianco AR, Tortora G: Antitumor effect and potentiation of cytotoxic drugs activity in human cancer cells by ZD-1839 (Iressa), an epidermal growth factor receptor-selective tyrosine kinase inhibitor. Clin Cancer Res. 2000 May;6(5):2053-63.@@Albanell J, Codony-Servat J, Rojo F, Del Campo JM, Sauleda S, Anido J, Raspall G, Giralt J, Rosello J, Nicholson RI, Mendelsohn J, Baselga J: Activated extracellular signal-regulated kinases: association with epidermal growth factor receptor/transforming growth factor alpha expression in head and neck squamous carcinoma and inhibition by anti-epidermal growth factor receptor treatments. Cancer Res. 2001 Sep 1;61(17):6500-10.@@Nicholson RI, Hutcheson IR, Harper ME, Knowlden JM, Barrow D, McClelland RA, Jones HE, Wakeling AE, Gee JM: Modulation of epidermal growth factor receptor in endocrine-resistant, oestrogen receptor-positive breast cancer. Endocr Relat Cancer. 2001 Sep;8(3):175-82.@@Moasser MM, Basso A, Averbuch SD, Rosen N: The tyrosine kinase inhibitor ZD1839 (""Iressa"") inhibits HER2-driven signaling and suppresses the growth of HER2-overexpressing tumor cells. Cancer Res. 2001 Oct 1;61(19):7184-8.@@Arteaga CL, Johnson DH: Tyrosine kinase inhibitors-ZD1839 (Iressa). Curr Opin Oncol. 2001 Nov;13(6):491-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Quinazolines" COC1=C(OCCCN2CCOCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1 Gefitinib Action Pathway drug_action 13090 46508649 D01977 PA131301952 DAP000657 Gefitinib CHEMBL939 328134 DB00318 Codeine BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 17620111; 8764759 "Takahama K, Shirasaki T: Central and peripheral mechanisms of narcotic antitussives: codeine-sensitive and -resistant coughs. Cough. 2007 Jul 9;3:8.@@Raffa RB: A novel approach to the pharmacology of analgesics. Am J Med. 1996 Jul 31;101(1A):40S-46S. doi: 10.1016/s0002-9343(96)00137-4." Approved; Illicit Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Sensory System Agents; UGT2B7 substrates; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; OAT1/SLC22A6 inhibitors; OCT1 substrates; Natural Opium Alkaloids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Morphine Derivatives; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opiate Agonists; Opium Alkaloids and Derivatives; Opioid Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; OCT1 inhibitors; Cough and Cold Preparations; Nervous System; Opiate Alkaloids; Opioids" [H][C@]12C=C[C@H](O)[C@@H]3OC4=C5C(C[C@H]1N(C)CC[C@@]235)=CC=C4OC Codeine Metabolism Pathway; Codeine Action Pathway drug_metabolism; drug_action 6750 46507764 D03580 PA449088 DAP000213 Codeine CHEMBL485 1545976 DB00318 Codeine BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 7885194; 12420793 "Mignat C, Wille U, Ziegler A: Affinity profiles of morphine, codeine, dihydrocodeine and their glucuronides at opioid receptor subtypes. Life Sci. 1995;56(10):793-9.@@Schmidt H, Vormfelde Sv, Klinder K, Gundert-Remy U, Gleiter CH, Skopp G, Aderjan R, Fuhr U: Affinities of dihydrocodeine and its metabolites to opioid receptors. Pharmacol Toxicol. 2002 Aug;91(2):57-63." Approved; Illicit Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Sensory System Agents; UGT2B7 substrates; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; OAT1/SLC22A6 inhibitors; OCT1 substrates; Natural Opium Alkaloids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Morphine Derivatives; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opiate Agonists; Opium Alkaloids and Derivatives; Opioid Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; OCT1 inhibitors; Cough and Cold Preparations; Nervous System; Opiate Alkaloids; Opioids" [H][C@]12C=C[C@H](O)[C@@H]3OC4=C5C(C[C@H]1N(C)CC[C@@]235)=CC=C4OC Codeine Metabolism Pathway; Codeine Action Pathway drug_metabolism; drug_action 6750 46507764 D03580 PA449088 DAP000213 Codeine CHEMBL485 1545976 DB00320 Dihydroergotamine BE0000476 HTR1E P28566 5HT1E_HUMAN agonist 22444161; 23815106 "Dahlof C, Maassen Van Den Brink A: Dihydroergotamine, ergotamine, methysergide and sumatriptan - basic science in relation to migraine treatment. Headache. 2012 Apr;52(4):707-14. doi: 10.1111/j.1526-4610.2012.02124.x. Epub 2012 Mar 22.@@Ramirez Rosas MB, Labruijere S, Villalon CM, Maassen Vandenbrink A: Activation of 5-hydroxytryptamine1B/1D/1F receptors as a mechanism of action of antimigraine drugs. Expert Opin Pharmacother. 2013 Aug;14(12):1599-610. doi: 10.1517/14656566.2013.806487. Epub 2013 Jul 2." Approved; Investigational "Ergotamines, dihydroergotamines, and derivatives" Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Sensory System Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Peripheral Nervous System Agents; Analgesics; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Dopamine Agents" [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O 3359 46507711 D07837 PA164743028 DAP000078 Dihydroergotamine CHEMBL1732 3418 DB00320 Dihydroergotamine BE0000393 HTR2B P41595 5HT2B_HUMAN agonist 11752352; 12970106; 22444161; 23815106 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Schaerlinger B, Hickel P, Etienne N, Guesnier L, Maroteaux L: Agonist actions of dihydroergotamine at 5-HT2B and 5-HT2C receptors and their possible relevance to antimigraine efficacy. Br J Pharmacol. 2003 Sep;140(2):277-84. Epub 2003 Aug 11.@@Dahlof C, Maassen Van Den Brink A: Dihydroergotamine, ergotamine, methysergide and sumatriptan - basic science in relation to migraine treatment. Headache. 2012 Apr;52(4):707-14. doi: 10.1111/j.1526-4610.2012.02124.x. Epub 2012 Mar 22.@@Ramirez Rosas MB, Labruijere S, Villalon CM, Maassen Vandenbrink A: Activation of 5-hydroxytryptamine1B/1D/1F receptors as a mechanism of action of antimigraine drugs. Expert Opin Pharmacother. 2013 Aug;14(12):1599-610. doi: 10.1517/14656566.2013.806487. Epub 2013 Jul 2." Approved; Investigational "Ergotamines, dihydroergotamines, and derivatives" Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Sensory System Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Peripheral Nervous System Agents; Analgesics; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Dopamine Agents" [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O 3359 46507711 D07837 PA164743028 DAP000078 Dihydroergotamine CHEMBL1732 3418 DB00320 Dihydroergotamine BE0000533 HTR2C P28335 5HT2C_HUMAN agonist 22444161; 23815106 "Dahlof C, Maassen Van Den Brink A: Dihydroergotamine, ergotamine, methysergide and sumatriptan - basic science in relation to migraine treatment. Headache. 2012 Apr;52(4):707-14. doi: 10.1111/j.1526-4610.2012.02124.x. Epub 2012 Mar 22.@@Ramirez Rosas MB, Labruijere S, Villalon CM, Maassen Vandenbrink A: Activation of 5-hydroxytryptamine1B/1D/1F receptors as a mechanism of action of antimigraine drugs. Expert Opin Pharmacother. 2013 Aug;14(12):1599-610. doi: 10.1517/14656566.2013.806487. Epub 2013 Jul 2." Approved; Investigational "Ergotamines, dihydroergotamines, and derivatives" Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Sensory System Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Peripheral Nervous System Agents; Analgesics; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Dopamine Agents" [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O 3359 46507711 D07837 PA164743028 DAP000078 Dihydroergotamine CHEMBL1732 3418 DB00320 Dihydroergotamine BE0004863 ADRA1A P25100 ADA1D_HUMAN agonist 22444161; 23815106 "Dahlof C, Maassen Van Den Brink A: Dihydroergotamine, ergotamine, methysergide and sumatriptan - basic science in relation to migraine treatment. Headache. 2012 Apr;52(4):707-14. doi: 10.1111/j.1526-4610.2012.02124.x. Epub 2012 Mar 22.@@Ramirez Rosas MB, Labruijere S, Villalon CM, Maassen Vandenbrink A: Activation of 5-hydroxytryptamine1B/1D/1F receptors as a mechanism of action of antimigraine drugs. Expert Opin Pharmacother. 2013 Aug;14(12):1599-610. doi: 10.1517/14656566.2013.806487. Epub 2013 Jul 2." Approved; Investigational "Ergotamines, dihydroergotamines, and derivatives" Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Sensory System Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Peripheral Nervous System Agents; Analgesics; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Dopamine Agents" [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O 3359 46507711 D07837 PA164743028 DAP000078 Dihydroergotamine CHEMBL1732 3418 DB00320 Dihydroergotamine BE0000581 DRD3 P35462 DRD3_HUMAN agonist 22444161; 23815106 "Dahlof C, Maassen Van Den Brink A: Dihydroergotamine, ergotamine, methysergide and sumatriptan - basic science in relation to migraine treatment. Headache. 2012 Apr;52(4):707-14. doi: 10.1111/j.1526-4610.2012.02124.x. Epub 2012 Mar 22.@@Ramirez Rosas MB, Labruijere S, Villalon CM, Maassen Vandenbrink A: Activation of 5-hydroxytryptamine1B/1D/1F receptors as a mechanism of action of antimigraine drugs. Expert Opin Pharmacother. 2013 Aug;14(12):1599-610. doi: 10.1517/14656566.2013.806487. Epub 2013 Jul 2." Approved; Investigational "Ergotamines, dihydroergotamines, and derivatives" Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Sensory System Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Peripheral Nervous System Agents; Analgesics; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Dopamine Agents" [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O 3359 46507711 D07837 PA164743028 DAP000078 Dihydroergotamine CHEMBL1732 3418 DB00320 Dihydroergotamine BE0000084 HTR4 Q13639 5HT4R_HUMAN agonist 22444161 "Dahlof C, Maassen Van Den Brink A: Dihydroergotamine, ergotamine, methysergide and sumatriptan - basic science in relation to migraine treatment. Headache. 2012 Apr;52(4):707-14. doi: 10.1111/j.1526-4610.2012.02124.x. Epub 2012 Mar 22." Approved; Investigational "Ergotamines, dihydroergotamines, and derivatives" Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Sensory System Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Peripheral Nervous System Agents; Analgesics; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Dopamine Agents" [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O 3359 46507711 D07837 PA164743028 DAP000078 Dihydroergotamine CHEMBL1732 3418 DB00320 Dihydroergotamine BE0001012 ADRB3 P13945 ADRB3_HUMAN agonist 22444161 "Dahlof C, Maassen Van Den Brink A: Dihydroergotamine, ergotamine, methysergide and sumatriptan - basic science in relation to migraine treatment. Headache. 2012 Apr;52(4):707-14. doi: 10.1111/j.1526-4610.2012.02124.x. Epub 2012 Mar 22." Approved; Investigational "Ergotamines, dihydroergotamines, and derivatives" Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Sensory System Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Peripheral Nervous System Agents; Analgesics; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Dopamine Agents" [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O 3359 46507711 D07837 PA164743028 DAP000078 Dihydroergotamine CHEMBL1732 3418 DB00321 Amitriptyline BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 19828880; 17693391 "Onali P, Dedoni S, Olianas MC: Direct agonist activity of tricyclic antidepressants at distinct opioid receptor subtypes. J Pharmacol Exp Ther. 2010 Jan;332(1):255-65. doi: 10.1124/jpet.109.159939. Epub 2009 Oct 14.@@Benbouzid M, Gaveriaux-Ruff C, Yalcin I, Waltisperger E, Tessier LH, Muller A, Kieffer BL, Freund-Mercier MJ, Barrot M: Delta-opioid receptors are critical for tricyclic antidepressant treatment of neuropathic allodynia. Biol Psychiatry. 2008 Mar 15;63(6):633-6. doi: 10.1016/j.biopsych.2007.06.016. Epub 2007 Aug 13." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 5979 46508798 D07448 PA448385 DNC001466 Amitriptyline CHEMBL629 704 DB00321 Amitriptyline BE0001039 NTRK1 P04629 NTRK1_HUMAN agonist 19549602; 27149473; 21666748 "Jang SW, Liu X, Chan CB, Weinshenker D, Hall RA, Xiao G, Ye K: Amitriptyline is a TrkA and TrkB receptor agonist that promotes TrkA/TrkB heterodimerization and has potent neurotrophic activity. Chem Biol. 2009 Jun 26;16(6):644-56. doi: 10.1016/j.chembiol.2009.05.010.@@Zheng X, Chen F, Zheng T, Huang F, Chen J, Tu W: Amitriptyline Activates TrkA to Aid Neuronal Growth and Attenuate Anesthesia-Induced Neurodegeneration in Rat Dorsal Root Ganglion Neurons. Medicine (Baltimore). 2016 May;95(18):e3559. doi: 10.1097/MD.0000000000003559.@@Rantamaki T, Vesa L, Antila H, Di Lieto A, Tammela P, Schmitt A, Lesch KP, Rios M, Castren E: Antidepressant drugs transactivate TrkB neurotrophin receptors in the adult rodent brain independently of BDNF and monoamine transporter blockade. PLoS One. 2011;6(6):e20567. doi: 10.1371/journal.pone.0020567. Epub 2011 Jun 7." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 5979 46508798 D07448 PA448385 DNC001466 Amitriptyline CHEMBL629 704 DB00321 Amitriptyline BE0003605 NTRK2 Q16620 NTRK2_HUMAN agonist 19549602; 24818146; 27069625 "Jang SW, Liu X, Chan CB, Weinshenker D, Hall RA, Xiao G, Ye K: Amitriptyline is a TrkA and TrkB receptor agonist that promotes TrkA/TrkB heterodimerization and has potent neurotrophic activity. Chem Biol. 2009 Jun 26;16(6):644-56. doi: 10.1016/j.chembiol.2009.05.010.@@Cai J, Hua F, Yuan L, Tang W, Lu J, Yu S, Wang X, Hu Y: Potential therapeutic effects of neurotrophins for acute and chronic neurological diseases. Biomed Res Int. 2014;2014:601084. doi: 10.1155/2014/601084. Epub 2014 Apr 9.@@O'Neill E, Kwok B, Day JS, Connor TJ, Harkin A: Amitriptyline protects against TNF-alpha-induced atrophy and reduction in synaptic markers via a Trk-dependent mechanism. Pharmacol Res Perspect. 2016 Mar 8;4(2):e00195. doi: 10.1002/prp2.195. eCollection 2016 Apr." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 5979 46508798 D07448 PA448385 DNC001466 Amitriptyline CHEMBL629 704 DB00321 Amitriptyline BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 20363235 "Nojimoto FD, Mueller A, Hebeler-Barbosa F, Akinaga J, Lima V, Kiguti LR, Pupo AS: The tricyclic antidepressants amitriptyline, nortriptyline and imipramine are weak antagonists of human and rat alpha1B-adrenoceptors. Neuropharmacology. 2010 Jul-Aug;59(1-2):49-57. doi: 10.1016/j.neuropharm.2010.03.015. Epub 2010 Apr 2." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 5979 46508798 D07448 PA448385 DNC001466 Amitriptyline CHEMBL629 704 DB00321 Amitriptyline BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 7855217; 39202; 2896792 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Richelson E: Tricyclic antidepressants and histamine H1 receptors. Mayo Clin Proc. 1979 Oct;54(10):669-74.@@Kachur JF, Allbee WE, Gaginella TS: Antihistaminic and antimuscarinic effects of amitriptyline on guinea pig ileal electrolyte transport and muscle contractility in vitro. J Pharmacol Exp Ther. 1988 May;245(2):455-9." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 5979 46508798 D07448 PA448385 DNC001466 Amitriptyline CHEMBL629 704 DB00321 Amitriptyline BE0000897 KCNQ2 O43526 KCNQ2_HUMAN inhibitor 17456683 "Punke MA, Friederich P: Amitriptyline is a potent blocker of human Kv1.1 and Kv7.2/7.3 channels. Anesth Analg. 2007 May;104(5):1256-64, tables of contents." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 5979 46508798 D07448 PA448385 DNC001466 Amitriptyline CHEMBL629 704 DB00321 Amitriptyline BE0000112 HRH2 P25021 HRH2_HUMAN blocker 6103762; 1351926 "Angus JA, Black JW: Pharmacological assay of cardiac H2-receptor blockade by amitriptyline and lysergic acid diethylamide. Circ Res. 1980 Jun;46(6 Pt 2):I64-9.@@Traiffort E, Pollard H, Moreau J, Ruat M, Schwartz JC, Martinez-Mir MI, Palacios JM: Pharmacological characterization and autoradiographic localization of histamine H2 receptors in human brain identified with [125I]iodoaminopotentidine. J Neurochem. 1992 Jul;59(1):290-9." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 5979 46508798 D07448 PA448385 DNC001466 Amitriptyline CHEMBL629 704 DB00321 Amitriptyline BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 11339973; 8876023 "Di Matteo V, De Blasi A, Di Giulio C, Esposito E: Role of 5-HT(2C) receptors in the control of central dopamine function. Trends Pharmacol Sci. 2001 May;22(5):229-32.@@Palvimaki EP, Roth BL, Majasuo H, Laakso A, Kuoppamaki M, Syvalahti E, Hietala J: Interactions of selective serotonin reuptake inhibitors with the serotonin 5-HT2c receptor. Psychopharmacology (Berl). 1996 Aug;126(3):234-40." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 5979 46508798 D07448 PA448385 DNC001466 Amitriptyline CHEMBL629 704 DB00321 Amitriptyline BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 10997731; 23142373 "Lucchelli A, Santagostino-Barbone MG, D'Agostino G, Masoero E, Tonini M: The interaction of antidepressant drugs with enteric 5-HT7 receptors. Naunyn Schmiedebergs Arch Pharmacol. 2000 Sep;362(3):284-9.@@Liu J, Reid AR, Sawynok J: Spinal serotonin 5-HT7 and adenosine A1 receptors, as well as peripheral adenosine A1 receptors, are involved in antinociception by systemically administered amitriptyline. Eur J Pharmacol. 2013 Jan 5;698(1-3):213-9. doi: 10.1016/j.ejphar.2012.10.042. Epub 2012 Nov 6." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 5979 46508798 D07448 PA448385 DNC001466 Amitriptyline CHEMBL629 704 DB00321 Amitriptyline BE0000770 OPRM1 P35372 OPRM_HUMAN binder 3037421 "Hamon M, Gozlan H, Bourgoin S, Benoliel JJ, Mauborgne A, Taquet H, Cesselin F, Mico JA: Opioid receptors and neuropeptides in the CNS in rats treated chronically with amoxapine or amitriptyline. Neuropharmacology. 1987 Jun;26(6):531-9." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 5979 46508798 D07448 PA448385 DNC001466 Amitriptyline CHEMBL629 704 DB00321 Amitriptyline BE0002398 KCNQ3 O43525 KCNQ3_HUMAN inhibitor 17456683; 26627826 "Punke MA, Friederich P: Amitriptyline is a potent blocker of human Kv1.1 and Kv7.2/7.3 channels. Anesth Analg. 2007 May;104(5):1256-64, tables of contents.@@Syeda R, Santos JS, Montal M: The Sensorless Pore Module of Voltage-gated K+ Channel Family 7 Embodies the Target Site for the Anticonvulsant Retigabine. J Biol Chem. 2016 Feb 5;291(6):2931-7. doi: 10.1074/jbc.M115.683185. Epub 2015 Dec 1." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 5979 46508798 D07448 PA448385 DNC001466 Amitriptyline CHEMBL629 704 DB00321 Amitriptyline BE0004890 CHRM1 P08912 ACM5_HUMAN ligand 20504448; 3567263; 14603; 7855217 "Goldman P, Scranton T, Messer WS Jr: Interaction of amitriptyline with muscarinic receptor subtypes in the rat brain. Neurochem Int. 1989;14(4):447-54.@@Dilsaver SC, Snider RM, Alessi NE: Amitriptyline supersensitizes a central cholinergic mechanism. Biol Psychiatry. 1987 Apr;22(4):495-507.@@Snyder SH, Yamamura HI: Antidepressants and the muscarinic acetylcholine receptor. Arch Gen Psychiatry. 1977 Feb;34(2):236-9.@@Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 5979 46508798 D07448 PA448385 DNC001466 Amitriptyline CHEMBL629 704 DB00321 Amitriptyline BE0009629 KCNH2 Q9NS40 KCNH7_HUMAN blocker 10742304; 10510461 "Jo SH, Youm JB, Lee CO, Earm YE, Ho WK: Blockade of the HERG human cardiac K(+) channel by the antidepressant drug amitriptyline. Br J Pharmacol. 2000 Apr;129(7):1474-80. doi: 10.1038/sj.bjp.0703222.@@Teschemacher AG, Seward EP, Hancox JC, Witchel HJ: Inhibition of the current of heterologously expressed HERG potassium channels by imipramine and amitriptyline. Br J Pharmacol. 1999 Sep;128(2):479-85." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 5979 46508798 D07448 PA448385 DNC001466 Amitriptyline CHEMBL629 704 DB00323 Tolcapone BE0002089 COMT P21964 COMT_HUMAN inhibitor 11752352; 20502133; 9917075; 15697329; 19503773; 17063156; 18046910; 12538800; 11873938; 10882160; 9808337 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ries V, Selzer R, Eichhorn T, Oertel WH, Eggert K: Replacing a dopamine agonist by the COMT-inhibitor tolcapone as an adjunct to L-dopa in the treatment of Parkinson's disease: a randomized, multicenter, open-label, parallel-group study. Clin Neuropharmacol. 2010 May;33(3):142-50. doi: 10.1097/WNF.0b013e3181d99d6f.@@Guay DR: Tolcapone, a selective catechol-O-methyltransferase inhibitor for treatment of Parkinson's disease. Pharmacotherapy. 1999 Jan;19(1):6-20.@@Keating GM, Lyseng-Williamson KA: Tolcapone: a review of its use in the management of Parkinson's disease. CNS Drugs. 2005;19(2):165-84.@@Truong DD: Tolcapone: review of its pharmacology and use as adjunctive therapy in patients with Parkinson's disease. Clin Interv Aging. 2009;4:109-13. Epub 2009 May 14.@@Apud JA, Mattay V, Chen J, Kolachana BS, Callicott JH, Rasetti R, Alce G, Iudicello JE, Akbar N, Egan MF, Goldberg TE, Weinberger DR: Tolcapone improves cognition and cortical information processing in normal human subjects. Neuropsychopharmacology. 2007 May;32(5):1011-20. Epub 2006 Oct 25.@@Stocchi F, De Pandis MF: Utility of tolcapone in fluctuating Parkinson's disease. Clin Interv Aging. 2006;1(4):317-25.@@Forsberg M, Lehtonen M, Heikkinen M, Savolainen J, Jarvinen T, Mannisto PT: Pharmacokinetics and pharmacodynamics of entacapone and tolcapone after acute and repeated administration: a comparative study in the rat. J Pharmacol Exp Ther. 2003 Feb;304(2):498-506.@@Tai CH, Wu RM: Catechol-O-methyltransferase and Parkinson's disease. Acta Med Okayama. 2002 Feb;56(1):1-6.@@Kaakkola S: Clinical pharmacology, therapeutic use and potential of COMT inhibitors in Parkinson's disease. Drugs. 2000 Jun;59(6):1233-50.@@Ruottinen HM, Rinne UK: COMT inhibition in the treatment of Parkinson's disease. J Neurol. 1998 Nov;245(11 Suppl 3):P25-34." Approved; Withdrawn Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones Enzyme Inhibitors; Benzene Derivatives; COMT Inhibitors; Benzophenones; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Phenols; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Nitro Compounds; Ketones; Anti-Parkinson Drugs; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Nitrophenols; Central Nervous System Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents CC1=CC=C(C=C1)C(=O)C1=CC(=C(O)C(O)=C1)[N+]([O-])=O 11615 46504932 D00786 PA451720 DAP000607 Tolcapone CHEMBL1324 72937 DB00324 Fluorometholone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 15684812; 16891588; 16895953; 16980198; 17038445; 17086345 "Samudre SS, Lattanzio FA Jr, Williams PB, Sheppard JD Jr: Comparison of topical steroids for acute anterior uveitis. J Ocul Pharmacol Ther. 2004 Dec;20(6):533-47.@@Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404." Approved; Investigational "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Acne Preparations for Topical Use; Anti-Allergic Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Thyroxine-binding globulin inhibitors; Anti-Acne Preparations; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A4 Inducers; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Pregnadienediols; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C 7577 46505984 D01367 PA164781355 DAP001047 Fluorometholone CHEMBL1200600 4491 DB00327 Hydromorphone BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 11869661; 12479250; 11305075; 18789923 "Quigley C: Hydromorphone for acute and chronic pain. Cochrane Database Syst Rev. 2002;(1):CD003447.@@Inturrisi CE: Clinical pharmacology of opioids for pain. Clin J Pain. 2002 Jul-Aug;18(4 Suppl):S3-13.@@Sarhill N, Walsh D, Nelson KA: Hydromorphone: pharmacology and clinical applications in cancer patients. Support Care Cancer. 2001 Mar;9(2):84-96.@@Kumar P, Sunkaraneni S, Sirohi S, Dighe SV, Walker EA, Yoburn BC: Hydromorphone efficacy and treatment protocol impact on tolerance and mu-opioid receptor regulation. Eur J Pharmacol. 2008 Nov 12;597(1-3):39-45. doi: 10.1016/j.ejphar.2008.08.025. Epub 2008 Aug 30." Approved; Illicit Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Sensory System Agents; UGT2B7 substrates; Semi-synthetic Opioids; Narcotics; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Natural Opium Alkaloids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Drugs that are Mainly Renally Excreted; Morphine Derivatives; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Opiate Agonists; High-risk opioids; Opioid Agonist; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Nervous System; Opiate Alkaloids; Opioids" [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O Hydromorphone Action Pathway drug_action 20280 46508700 PA449918 DAP000472 Hydromorphone CHEMBL398707 3423 DB00327 Hydromorphone BE0000420 OPRD1 P41143 OPRD_HUMAN partial agonist 9301669; 2849950; 7511163; 17658959; 2478994; 11752352 "Fang X, Larson DL, Portoghese PS: 7-spirobenzocyclohexyl derivatives of naltrexone, oxymorphone, and hydromorphone as selective opioid receptor ligands. J Med Chem. 1997 Sep 12;40(19):3064-70.@@Hennies HH, Friderichs E, Schneider J: Receptor binding, analgesic and antitussive potency of tramadol and other selected opioids. Arzneimittelforschung. 1988 Jul;38(7):877-80.@@Jiang Q, Sebastian A, Archer S, Bidlack JM: 5 beta-Methyl-14 beta-(p-nitrocinnamoylamino)-7,8-dihydromorphinone and its corresponding N-cyclopropylmethyl analog, N-cyclopropylmethylnor-5 beta-methyl-14 beta-(p-nitrocinnamoylamino)- 7,8-dihydromorphinone: mu-selective irreversible opioid antagonists. J Pharmacol Exp Ther. 1994 Mar;268(3):1107-13.@@Guay DR: Use of oral oxymorphone in the elderly. Consult Pharm. 2007 May;22(5):417-30.@@Hartvig P, Neil A, Terenius L, Antoni G, Rimland A, Ulin J, Langstrom B: Brain and plasma kinetics of the opioid 11C-hydromorphone in two macaque species. Pharmacol Toxicol. 1989 Sep;65(3):214-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Illicit Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Sensory System Agents; UGT2B7 substrates; Semi-synthetic Opioids; Narcotics; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Natural Opium Alkaloids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Drugs that are Mainly Renally Excreted; Morphine Derivatives; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Opiate Agonists; High-risk opioids; Opioid Agonist; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Nervous System; Opiate Alkaloids; Opioids" [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O Hydromorphone Action Pathway drug_action 20280 46508700 PA449918 DAP000472 Hydromorphone CHEMBL398707 3423 DB00328 Indomethacin BE0003560 PTGR2 Q8N8N7 PTGR2_HUMAN inhibitor 19000823 "Wu YH, Ko TP, Guo RT, Hu SM, Chuang LM, Wang AH: Structural basis for catalytic and inhibitory mechanisms of human prostaglandin reductase PTGR2. Structure. 2008 Nov 12;16(11):1714-23. doi: 10.1016/j.str.2008.09.007." Approved; Investigational Benzoylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles "Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; Sensory System Agents; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Nephrotoxic agents; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Indoles; Tocolytic Agents; Acetic Acid Derivatives and Related Substances; Cardiovascular Agents; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; UGT2B7 Inhibitors; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OAT1/SLC22A6 Substrates; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; BSEP/ABCB11 Substrates; Antigout Preparations; Cyclooxygenase Inhibitors; Immunosuppressive Agents; OAT3/SLC22A8 Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; UGT1A1 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Antirheumatic Agents; Sensory Organs" COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O Indomethacin Action Pathway drug_action 10126 46508291 D00141 PA449982 DAP000617 Indometacin CHEMBL6 5781 DB00328 Indomethacin BE0000215 PPARG P37231 PPARG_HUMAN activator 12689521; 9013583 "Cho MC, Lee HS, Kim JH, Choe YK, Hong JT, Paik SG, Yoon DY: A simple ELISA for screening ligands of peroxisome proliferator-activated receptor-gamma. J Biochem Mol Biol. 2003 Mar 31;36(2):207-13.@@Lehmann JM, Lenhard JM, Oliver BB, Ringold GM, Kliewer SA: Peroxisome proliferator-activated receptors alpha and gamma are activated by indomethacin and other non-steroidal anti-inflammatory drugs. J Biol Chem. 1997 Feb 7;272(6):3406-10." Approved; Investigational Benzoylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles "Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; Sensory System Agents; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Nephrotoxic agents; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Indoles; Tocolytic Agents; Acetic Acid Derivatives and Related Substances; Cardiovascular Agents; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; UGT2B7 Inhibitors; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OAT1/SLC22A6 Substrates; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; BSEP/ABCB11 Substrates; Antigout Preparations; Cyclooxygenase Inhibitors; Immunosuppressive Agents; OAT3/SLC22A8 Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; UGT1A1 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Antirheumatic Agents; Sensory Organs" COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O Indomethacin Action Pathway drug_action 10126 46508291 D00141 PA449982 DAP000617 Indometacin CHEMBL6 5781 DB00328 Indomethacin BE0000071 PPARA Q07869 PPARA_HUMAN agonist 9013583 "Lehmann JM, Lenhard JM, Oliver BB, Ringold GM, Kliewer SA: Peroxisome proliferator-activated receptors alpha and gamma are activated by indomethacin and other non-steroidal anti-inflammatory drugs. J Biol Chem. 1997 Feb 7;272(6):3406-10." Approved; Investigational Benzoylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles "Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; Sensory System Agents; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Nephrotoxic agents; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Indoles; Tocolytic Agents; Acetic Acid Derivatives and Related Substances; Cardiovascular Agents; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; UGT2B7 Inhibitors; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OAT1/SLC22A6 Substrates; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; BSEP/ABCB11 Substrates; Antigout Preparations; Cyclooxygenase Inhibitors; Immunosuppressive Agents; OAT3/SLC22A8 Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; UGT1A1 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Antirheumatic Agents; Sensory Organs" COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O Indomethacin Action Pathway drug_action 10126 46508291 D00141 PA449982 DAP000617 Indometacin CHEMBL6 5781 DB00328 Indomethacin BE0000592 AKR1C3 P42330 AK1C3_HUMAN inhibitor 14996743; 27486833 "Lovering AL, Ride JP, Bunce CM, Desmond JC, Cummings SM, White SA: Crystal structures of prostaglandin D(2) 11-ketoreductase (AKR1C3) in complex with the nonsteroidal anti-inflammatory drugs flufenamic acid and indomethacin. Cancer Res. 2004 Mar 1;64(5):1802-10.@@Adeniji A, Uddin MJ, Zang T, Tamae D, Wangtrakuldee P, Marnett LJ, Penning TM: Discovery of (R)-2-(6-Methoxynaphthalen-2-yl)butanoic Acid as a Potent and Selective Aldo-keto Reductase 1C3 Inhibitor. J Med Chem. 2016 Aug 25;59(16):7431-44. doi: 10.1021/acs.jmedchem.6b00160. Epub 2016 Aug 12." Approved; Investigational Benzoylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles "Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; Sensory System Agents; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Nephrotoxic agents; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Indoles; Tocolytic Agents; Acetic Acid Derivatives and Related Substances; Cardiovascular Agents; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; UGT2B7 Inhibitors; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OAT1/SLC22A6 Substrates; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; BSEP/ABCB11 Substrates; Antigout Preparations; Cyclooxygenase Inhibitors; Immunosuppressive Agents; OAT3/SLC22A8 Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; UGT1A1 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Antirheumatic Agents; Sensory Organs" COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O Indomethacin Action Pathway drug_action 10126 46508291 D00141 PA449982 DAP000617 Indometacin CHEMBL6 5781 DB00328 Indomethacin BE0009434 EIF2AK2 P19525 E2AK2_HUMAN inducer 22268531; 25856684 "Brunelli C, Amici C, Angelini M, Fracassi C, Belardo G, Santoro MG: The non-steroidal anti-inflammatory drug indomethacin activates the eIF2alpha kinase PKR, causing a translational block in human colorectal cancer cells. Biochem J. 2012 Apr 15;443(2):379-86. doi: 10.1042/BJ20111236.@@Amici C, La Frazia S, Brunelli C, Balsamo M, Angelini M, Santoro MG: Inhibition of viral protein translation by indomethacin in vesicular stomatitis virus infection: role of eIF2alpha kinase PKR. Cell Microbiol. 2015 Sep;17(9):1391-404. doi: 10.1111/cmi.12446. Epub 2015 May 13." Approved; Investigational Benzoylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles "Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; Sensory System Agents; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Nephrotoxic agents; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Indoles; Tocolytic Agents; Acetic Acid Derivatives and Related Substances; Cardiovascular Agents; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; UGT2B7 Inhibitors; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OAT1/SLC22A6 Substrates; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; BSEP/ABCB11 Substrates; Antigout Preparations; Cyclooxygenase Inhibitors; Immunosuppressive Agents; OAT3/SLC22A8 Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; UGT1A1 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Antirheumatic Agents; Sensory Organs" COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O Indomethacin Action Pathway drug_action 10126 46508291 D00141 PA449982 DAP000617 Indometacin CHEMBL6 5781 DB00331 Metformin BE0003887 ETFDH Q16134 ETFD_HUMAN inhibitor 22117616; 30619086 "Viollet B, Guigas B, Sanz Garcia N, Leclerc J, Foretz M, Andreelli F: Cellular and molecular mechanisms of metformin: an overview. Clin Sci (Lond). 2012 Mar;122(6):253-70. doi: 10.1042/CS20110386.@@Fontaine E: Metformin-Induced Mitochondrial Complex I Inhibition: Facts, Uncertainties, and Consequences. Front Endocrinol (Lausanne). 2018 Dec 17;9:753. doi: 10.3389/fendo.2018.00753. eCollection 2018." Approved Biguanides Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines Drugs Used in Diabetes; MATE 1 Substrates; OCT1 substrates; MATE 2 Substrates; Oral Hypoglycemics; OCT2 Inhibitors; Amidines; Biguanides; Guanidines; Drugs that are Mainly Renally Excreted; MATE substrates; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; OCT2 Substrates CN(C)C(=N)NC(N)=N 10147 46507752 D04966 PA450395 DAP000205 Metformin CHEMBL1431 6809 DB00332 Ipratropium BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 15987237; 28546381; 30085570 "Wellington K: Ipratropium bromide HFA. Treat Respir Med. 2005;4(3):215-20; discussion 221-2.@@Rehder KJ: Adjunct Therapies for Refractory Status Asthmaticus in Children. Respir Care. 2017 Jun;62(6):849-865. doi: 10.4187/respcare.05174.@@Almadhoun K, Sharma S: Bronchodilators ." Approved; Experimental Tropane alkaloids Organic compounds; Alkaloids and derivatives; Tropane alkaloids "Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Agents to Treat Airway Disease; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Nasal Preparations; Tropanes; Anticholinergic Agents; Adrenergics, Inhalants; Respiratory System Agents; Atropine Derivatives; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; Muscarinic Antagonists; Neurotransmitter Agents" [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)C1=CC=CC=C1)[N+]2(C)C(C)C 1945 46506138 PA450082 DNC000806 Ipratropium_bromide CHEMBL1621597 7213 DB00332 Ipratropium BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 15987237; 28546381; 30085570 "Wellington K: Ipratropium bromide HFA. Treat Respir Med. 2005;4(3):215-20; discussion 221-2.@@Rehder KJ: Adjunct Therapies for Refractory Status Asthmaticus in Children. Respir Care. 2017 Jun;62(6):849-865. doi: 10.4187/respcare.05174.@@Almadhoun K, Sharma S: Bronchodilators ." Approved; Experimental Tropane alkaloids Organic compounds; Alkaloids and derivatives; Tropane alkaloids "Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Agents to Treat Airway Disease; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Nasal Preparations; Tropanes; Anticholinergic Agents; Adrenergics, Inhalants; Respiratory System Agents; Atropine Derivatives; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; Muscarinic Antagonists; Neurotransmitter Agents" [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)C1=CC=CC=C1)[N+]2(C)C(C)C 1945 46506138 PA450082 DNC000806 Ipratropium_bromide CHEMBL1621597 7213 DB00333 Methadone BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 17139284; 17016423; 11933204; 17850768; 14991152; 12405865; 19717013 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Shi J, Hui L, Xu Y, Wang F, Huang W, Hu G: Sequence variations in the mu-opioid receptor gene (OPRM1) associated with human addiction to heroin. Hum Mutat. 2002 Apr;19(4):459-60.@@Kakko J, von Wachenfeldt J, Svanborg KD, Lidstrom J, Barr CS, Heilig M: Mood and neuroendocrine response to a chemical stressor, metyrapone, in buprenorphine-maintained heroin dependence. Biol Psychiatry. 2008 Jan 15;63(2):172-7. Epub 2007 Sep 11.@@Kvam TM, Baar C, Rakvag TT, Kaasa S, Krokan HE, Skorpen F: Genetic analysis of the murine mu opioid receptor: increased complexity of Oprm gene splicing. J Mol Med (Berl). 2004 Apr;82(4):250-5. Epub 2004 Jan 9.@@Eap CB, Buclin T, Baumann P: Interindividual variability of the clinical pharmacokinetics of methadone: implications for the treatment of opioid dependence. Clin Pharmacokinet. 2002;41(14):1153-93. doi: 10.2165/00003088-200241140-00003.@@Sotgiu ML, Valente M, Storchi R, Caramenti G, Biella GE: Cooperative N-methyl-D-aspartate (NMDA) receptor antagonism and mu-opioid receptor agonism mediate the methadone inhibition of the spinal neuron pain-related hyperactivity in a rat model of neuropathic pain. Pharmacol Res. 2009 Oct;60(4):284-90. doi: 10.1016/j.phrs.2009.04.002. Epub 2009 Apr 11." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Nicotinic Antagonists; QTc Prolonging Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Drugs Used in Opioid Dependence; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Ketones; Opiate Agonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); High-risk opioids; Opioid Agonist; Thyroxine-binding globulin inducers; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Diphenylpropylamine Derivatives; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Opioids CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 Methadone Metabolism Pathway; Methadone Action Pathway drug_metabolism; drug_action 6417 46505722 D08195 PA450401 DAP000267 Methadone CHEMBL651 6813 DB00333 Methadone BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 19843777; 12405865 "Gross ER, Hsu AK, Gross GJ: Acute methadone treatment reduces myocardial infarct size via the delta-opioid receptor in rats during reperfusion. Anesth Analg. 2009 Nov;109(5):1395-402. doi: 10.1213/ANE.0b013e3181b92201.@@Eap CB, Buclin T, Baumann P: Interindividual variability of the clinical pharmacokinetics of methadone: implications for the treatment of opioid dependence. Clin Pharmacokinet. 2002;41(14):1153-93. doi: 10.2165/00003088-200241140-00003." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Nicotinic Antagonists; QTc Prolonging Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Drugs Used in Opioid Dependence; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Ketones; Opiate Agonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); High-risk opioids; Opioid Agonist; Thyroxine-binding globulin inducers; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Diphenylpropylamine Derivatives; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Opioids CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 Methadone Metabolism Pathway; Methadone Action Pathway drug_metabolism; drug_action 6417 46505722 D08195 PA450401 DAP000267 Methadone CHEMBL651 6813 DB00333 Methadone BE0003585 CHRNA3 P32297 ACHA3_HUMAN antagonist 26231941; 25196810 "Talka R, Tuominen RK, Salminen O: Methadone's effect on nAChRs--a link between methadone use and smoking? Biochem Pharmacol. 2015 Oct 15;97(4):542-549. doi: 10.1016/j.bcp.2015.07.031. Epub 2015 Jul 29.@@Talka R, Salminen O, Tuominen RK: Methadone is a non-competitive antagonist at the alpha4beta2 and alpha3* nicotinic acetylcholine receptors and an agonist at the alpha7 nicotinic acetylcholine receptor. Basic Clin Pharmacol Toxicol. 2015 Apr;116(4):321-8. doi: 10.1111/bcpt.12317. Epub 2014 Oct 7." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Nicotinic Antagonists; QTc Prolonging Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Drugs Used in Opioid Dependence; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Ketones; Opiate Agonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); High-risk opioids; Opioid Agonist; Thyroxine-binding globulin inducers; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Diphenylpropylamine Derivatives; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Opioids CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 Methadone Metabolism Pathway; Methadone Action Pathway drug_metabolism; drug_action 6417 46505722 D08195 PA450401 DAP000267 Methadone CHEMBL651 6813 DB00333 Methadone BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 26231941; 25196810 "Talka R, Tuominen RK, Salminen O: Methadone's effect on nAChRs--a link between methadone use and smoking? Biochem Pharmacol. 2015 Oct 15;97(4):542-549. doi: 10.1016/j.bcp.2015.07.031. Epub 2015 Jul 29.@@Talka R, Salminen O, Tuominen RK: Methadone is a non-competitive antagonist at the alpha4beta2 and alpha3* nicotinic acetylcholine receptors and an agonist at the alpha7 nicotinic acetylcholine receptor. Basic Clin Pharmacol Toxicol. 2015 Apr;116(4):321-8. doi: 10.1111/bcpt.12317. Epub 2014 Oct 7." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Nicotinic Antagonists; QTc Prolonging Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Drugs Used in Opioid Dependence; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Ketones; Opiate Agonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); High-risk opioids; Opioid Agonist; Thyroxine-binding globulin inducers; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Diphenylpropylamine Derivatives; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Opioids CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 Methadone Metabolism Pathway; Methadone Action Pathway drug_metabolism; drug_action 6417 46505722 D08195 PA450401 DAP000267 Methadone CHEMBL651 6813 DB00334 Olanzapine BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 11752352; 17848919; 25032030 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Brafford MV, Glode A: Olanzapine: an antiemetic option for chemotherapy-induced nausea and vomiting. J Adv Pract Oncol. 2014 Jan;5(1):24-9." Approved; Investigational Benzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Hypotensive Agents; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Benzazepines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antiemetics; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2 1 46507666 D00454 PA450688 DAP000022 Olanzapine CHEMBL715 61381 DB00334 Olanzapine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 11752352; 16336943; 17624999; 16983399; 16918396; 16952163; 10227113; 25032030 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Zhang JY, Kowal DM, Nawoschik SP, Lou Z, Dunlop J: Distinct functional profiles of aripiprazole and olanzapine at RNA edited human 5-HT2C receptor isoforms. Biochem Pharmacol. 2006 Feb 14;71(4):521-9. Epub 2005 Dec 5.@@Overstreet DH, Knapp DJ, Breese GR: Drug challenges reveal differences in mediation of stress facilitation of voluntary alcohol drinking and withdrawal-induced anxiety in alcohol-preferring P rats. Alcohol Clin Exp Res. 2007 Sep;31(9):1473-81. Epub 2007 Jul 11.@@Theisen FM, Haberhausen M, Firnges MA, Gregory P, Reinders JH, Remschmidt H, Hebebrand J, Antel J: No evidence for binding of clozapine, olanzapine and/or haloperidol to selected receptors involved in body weight regulation. Pharmacogenomics J. 2007 Aug;7(4):275-81. Epub 2006 Sep 19.@@Wood MD, Scott C, Clarke K, Cato KJ, Patel N, Heath J, Worby A, Gordon L, Campbell L, Riley G, Davies CH, Gribble A, Jones DN: Pharmacological profile of antipsychotics at monoamine receptors: atypicality beyond 5-HT2A receptor blockade. CNS Neurol Disord Drug Targets. 2006 Aug;5(4):445-52.@@Hertel P: Comparing sertindole to other new generation antipsychotics on preferential dopamine output in limbic versus striatal projection regions: mechanism of action. Synapse. 2006 Dec 1;60(7):543-52.@@Bymaster FP, Nelson DL, DeLapp NW, Falcone JF, Eckols K, Truex LL, Foreman MM, Lucaites VL, Calligaro DO: Antagonism by olanzapine of dopamine D1, serotonin2, muscarinic, histamine H1 and alpha 1-adrenergic receptors in vitro. Schizophr Res. 1999 May 4;37(1):107-22.@@Brafford MV, Glode A: Olanzapine: an antiemetic option for chemotherapy-induced nausea and vomiting. J Adv Pract Oncol. 2014 Jan;5(1):24-9." Approved; Investigational Benzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Hypotensive Agents; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Benzazepines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antiemetics; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2 1 46507666 D00454 PA450688 DAP000022 Olanzapine CHEMBL715 61381 DB00334 Olanzapine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11752352; 15729086; 16141369; 15893120; 17316700; 10227113; 25032030 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Poyurovsky M, Pashinian A, Levi A, Weizman R, Weizman A: The effect of betahistine, a histamine H1 receptor agonist/H3 antagonist, on olanzapine-induced weight gain in first-episode schizophrenia patients. Int Clin Psychopharmacol. 2005 Mar;20(2):101-3.@@Rasmussen K, Benvenga MJ, Bymaster FP, Calligaro DO, Cohen IR, Falcone JF, Hemrick-Luecke SK, Martin FM, Moore NA, Nisenbaum LK, Schaus JM, Sundquist SJ, Tupper DE, Wiernicki TR, Nelson DL: Preclinical pharmacology of FMPD [6-fluoro-10-[3-(2-methoxyethyl)-4-methyl-piperazin-1-yl]-2-methyl-4H-3-thia-4,9- diaza-benzo[f]azulene]: a potential novel antipsychotic with lower histamine H1 receptor affinity than olanzapine. J Pharmacol Exp Ther. 2005 Dec;315(3):1265-77. Epub 2005 Sep 1.@@Altschuler EL, Kast RE: Using histamine (H1) antagonists, in particular atypical antipsychotics, to treat anemia of chronic disease via interleukin-6 suppression. Med Hypotheses. 2005;65(1):65-7.@@Uchida S, Kato Y, Hirano K, Kagawa Y, Yamada S: Brain neurotransmitter receptor-binding characteristics in rats after oral administration of haloperidol, risperidone and olanzapine. Life Sci. 2007 Apr 3;80(17):1635-40. Epub 2007 Jan 27.@@Bymaster FP, Nelson DL, DeLapp NW, Falcone JF, Eckols K, Truex LL, Foreman MM, Lucaites VL, Calligaro DO: Antagonism by olanzapine of dopamine D1, serotonin2, muscarinic, histamine H1 and alpha 1-adrenergic receptors in vitro. Schizophr Res. 1999 May 4;37(1):107-22.@@Brafford MV, Glode A: Olanzapine: an antiemetic option for chemotherapy-induced nausea and vomiting. J Adv Pract Oncol. 2014 Jan;5(1):24-9." Approved; Investigational Benzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Hypotensive Agents; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Benzazepines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antiemetics; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2 1 46507666 D00454 PA450688 DAP000022 Olanzapine CHEMBL715 61381 DB00334 Olanzapine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 17848919; 10227113; 25032030 "Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Bymaster FP, Nelson DL, DeLapp NW, Falcone JF, Eckols K, Truex LL, Foreman MM, Lucaites VL, Calligaro DO: Antagonism by olanzapine of dopamine D1, serotonin2, muscarinic, histamine H1 and alpha 1-adrenergic receptors in vitro. Schizophr Res. 1999 May 4;37(1):107-22.@@Brafford MV, Glode A: Olanzapine: an antiemetic option for chemotherapy-induced nausea and vomiting. J Adv Pract Oncol. 2014 Jan;5(1):24-9." Approved; Investigational Benzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Hypotensive Agents; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Benzazepines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antiemetics; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2 1 46507666 D00454 PA450688 DAP000022 Olanzapine CHEMBL715 61381 DB00334 Olanzapine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 17848919; 10227113; 25032030 "Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Bymaster FP, Nelson DL, DeLapp NW, Falcone JF, Eckols K, Truex LL, Foreman MM, Lucaites VL, Calligaro DO: Antagonism by olanzapine of dopamine D1, serotonin2, muscarinic, histamine H1 and alpha 1-adrenergic receptors in vitro. Schizophr Res. 1999 May 4;37(1):107-22.@@Brafford MV, Glode A: Olanzapine: an antiemetic option for chemotherapy-induced nausea and vomiting. J Adv Pract Oncol. 2014 Jan;5(1):24-9." Approved; Investigational Benzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Hypotensive Agents; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Benzazepines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antiemetics; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2 1 46507666 D00454 PA450688 DAP000022 Olanzapine CHEMBL715 61381 DB00334 Olanzapine BE0004872 ADRB1 P13945 ADRB3_HUMAN inhibitor 8822531 "Bymaster FP, Calligaro DO, Falcone JF, Marsh RD, Moore NA, Tye NC, Seeman P, Wong DT: Radioreceptor binding profile of the atypical antipsychotic olanzapine. Neuropsychopharmacology. 1996 Feb;14(2):87-96." Approved; Investigational Benzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Hypotensive Agents; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Benzazepines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antiemetics; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2 1 46507666 D00454 PA450688 DAP000022 Olanzapine CHEMBL715 61381 DB00334 Olanzapine BE0008668 GABRA1 Q99928 GBRG3_HUMAN inhibitor 25032030 "Brafford MV, Glode A: Olanzapine: an antiemetic option for chemotherapy-induced nausea and vomiting. J Adv Pract Oncol. 2014 Jan;5(1):24-9." Approved; Investigational Benzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Hypotensive Agents; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Benzazepines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antiemetics; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2 1 46507666 D00454 PA450688 DAP000022 Olanzapine CHEMBL715 61381 DB00337 Pimecrolimus BE0002386 MTOR P42345 MTOR_HUMAN potentiator 12113647 "Reitamo S, Remitz A, Kyllonen H, Saarikko J: Topical noncorticosteroid immunomodulation in the treatment of atopic dermatitis. Am J Clin Dermatol. 2002;3(6):381-8." Approved; Investigational Macrolide lactams Organic compounds; Phenylpropanoids and polyketides; Macrolide lactams "Calcineurin Inhibitor Immunosuppressant; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Peptidylprolyl Isomerase, antagonists & inhibitors; Dermatologicals; Cytochrome P-450 Substrates; Immunologic Factors; Misc. Skin and Mucous Membrane Agents; Analgesics, Non-Narcotic; Lactones; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Immunosuppressive Agents; Agents for Dermatitis, Excluding Corticosteroids; Calcineurin Inhibitors" [H][C@]1(CC[C@H](Cl)[C@@H](C1)OC)\C=C(/C)[C@@]1([H])OC(=O)[C@]2([H])CCCCN2C(=O)C(=O)[C@]2(O)O[C@@]([H])([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC)C(=O)C[C@H](O)[C@H]1C)OC 12077 46505748 PA164783790 DAP000594 Pimecrolimus CHEMBL1200686 321952 DB00337 Pimecrolimus BE0000695 FKBP1A P62942 FKB1A_HUMAN potentiator 12113647 "Reitamo S, Remitz A, Kyllonen H, Saarikko J: Topical noncorticosteroid immunomodulation in the treatment of atopic dermatitis. Am J Clin Dermatol. 2002;3(6):381-8." Approved; Investigational Macrolide lactams Organic compounds; Phenylpropanoids and polyketides; Macrolide lactams "Calcineurin Inhibitor Immunosuppressant; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Peptidylprolyl Isomerase, antagonists & inhibitors; Dermatologicals; Cytochrome P-450 Substrates; Immunologic Factors; Misc. Skin and Mucous Membrane Agents; Analgesics, Non-Narcotic; Lactones; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Immunosuppressive Agents; Agents for Dermatitis, Excluding Corticosteroids; Calcineurin Inhibitors" [H][C@]1(CC[C@H](Cl)[C@@H](C1)OC)\C=C(/C)[C@@]1([H])OC(=O)[C@]2([H])CCCCN2C(=O)C(=O)[C@]2(O)O[C@@]([H])([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC)C(=O)C[C@H](O)[C@H]1C)OC 12077 46505748 PA164783790 DAP000594 Pimecrolimus CHEMBL1200686 321952 DB00338 Omeprazole BE0003721 AHR P35869 AHR_HUMAN agonist 9139728 "Dzeletovic N, McGuire J, Daujat M, Tholander J, Ema M, Fujii-Kuriyama Y, Bergman J, Maurel P, Poellinger L: Regulation of dioxin receptor function by omeprazole. J Biol Chem. 1997 May 9;272(19):12705-13." Approved; Investigational; Vet_approved Sulfinylbenzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Sulfinylbenzimidazoles "Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Drugs for Acid Related Disorders; Gastrointestinal Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; 2-Pyridinylmethylsulfinylbenzimidazoles; Anti-Ulcer Agents; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Sulfoxides; Heterocyclic Compounds, Fused-Ring; Gastric Acid Lowering Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Proton Pump Inhibitors; Acid Reducers; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Benzimidazoles; Proton-pump Inhibitors" COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1C Omeprazole Metabolism Pathway; Omeprazole Action Pathway drug_metabolism; drug_action 1250 46509065 D00455 PA10075 DAP000180 Omeprazole CHEMBL1503 7646 DB00340 Metixene BE0004890 CHRM1 P08912 ACM5_HUMAN antagonist 12608172; 14315148; 5330346; 4866169 "Authors unspecified: Evaluation of an antispasmodic agent. Methixene hydrochloride (Trest). JAMA. 1966 Mar 7;195(10):851. doi: 10.1001/jama.1966.03100100103030.@@ABRUZZI W: THE USE OF METHIXENE HYDROCHLORIDE TO RELIEVE FUNCTIONAL GASTROINTESTINAL DISORDERS. J New Drugs. 1965 Mar-Apr;5(2):109-13. doi: 10.1002/j.1552-4604.1965.tb00233.x.@@Clarke S, Hay GA, Vas CJ: Therapeutic action of methixene hydrochloride on Parkinsonian tremor and a description of a new tremor-recording transducer. Br J Pharmacol Chemother. 1966 Feb;26(2):345-50. doi: 10.1111/j.1476-5381.1966.tb01913.x.@@Norris JW, Vas CJ: Mehixene hydrochloride and parkinsonian tremor. Acta Neurol Scand. 1967;43(4):535-8. doi: 10.1111/j.1600-0404.1967.tb05760.x." Approved Thioxanthenes Organic compounds; Organoheterocyclic compounds; Benzothiopyrans; 1-benzothiopyrans "Anticholinergic Agents; Muscarinic Antagonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Nervous System; Sulfur Compounds; Tertiary Amines; Agents producing tachycardia; Xanthenes" CN1CCCC(CC2C3=CC=CC=C3SC3=CC=CC=C23)C1 46508970 D01871 PA164783811 DAP000346 Metixene CHEMBL1201342 29682 DB00341 Cetirizine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 12787835; 15286093; 14505791; 10597865; 15942272; 14680442; 23867423 "Christophe B, Carlier B, Gillard M, Chatelain P, Peck M, Massingham R: Histamine H1 receptor antagonism by cetirizine in isolated guinea pig tissues: influence of receptor reserve and dissociation kinetics. Eur J Pharmacol. 2003 May 30;470(1-2):87-94.@@Tashiro M, Sakurada Y, Iwabuchi K, Mochizuki H, Kato M, Aoki M, Funaki Y, Itoh M, Iwata R, Wong DF, Yanai K: Central effects of fexofenadine and cetirizine: measurement of psychomotor performance, subjective sleepiness, and brain histamine H1-receptor occupancy using 11C-doxepin positron emission tomography. J Clin Pharmacol. 2004 Aug;44(8):890-900.@@Tillement JP, Testa B, Bree F: Compared pharmacological characteristics in humans of racemic cetirizine and levocetirizine, two histamine H1-receptor antagonists. Biochem Pharmacol. 2003 Oct 1;66(7):1123-6.@@Cavero I, Mestre M, Guillon JM, Heuillet E, Roach AG: Preclinical in vitro cardiac electrophysiology: a method of predicting arrhythmogenic potential of antihistamines in humans? Drug Saf. 1999;21 Suppl 1:19-31; discussion 81-7.@@Tamura T, Masaki S, Ohmori K, Karasawa A: Effect of olopatadine and other histamine H1 receptor antagonists on the skin inflammation induced by repeated topical application of oxazolone in mice. Pharmacology. 2005 Dec;75(1):45-52. Epub 2005 Jun 7.@@Portnoy JM, Dinakar C: Review of cetirizine hydrochloride for the treatment of allergic disorders. Expert Opin Pharmacother. 2004 Jan;5(1):125-35. doi: 10.1517/14656566.5.1.125 .@@Zhang L, Cheng L, Hong J: The clinical use of cetirizine in the treatment of allergic rhinitis. Pharmacology. 2013;92(1-2):14-25. doi: 10.1159/000351843. Epub 2013 Jul 18." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anti-Allergic Agents; Ophthalmologicals; Decongestants and Antiallergics; Central Nervous System Depressants; Piperazine Derivatives; Histamine Antagonists; Piperazines; QTc Prolonging Agents; Histamine H1 Antagonists; Histamine H1 Antagonists, Non-Sedating; Antihistamines for Systemic Use; Histamine Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Sensory Organs" OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1 Cetirizine H1-Antihistamine Action drug_action 7942 46508368 PA448905 DAP000323 Cetirizine CHEMBL1000 20610 DB00342 Terfenadine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11752352; 9485522; 8001268; 7654486; 2569356; 2879489 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kishimoto W, Hiroi T, Sakai K, Funae Y, Igarashi T: Metabolism of epinastine, a histamine H1 receptor antagonist, in human liver microsomes in comparison with that of terfenadine. Res Commun Mol Pathol Pharmacol. 1997 Dec;98(3):273-92.@@Salata JJ, Jurkiewicz NK, Wallace AA, Stupienski RF 3rd, Guinosso PJ Jr, Lynch JJ Jr: Cardiac electrophysiological actions of the histamine H1-receptor antagonists astemizole and terfenadine compared with chlorpheniramine and pyrilamine. Circ Res. 1995 Jan;76(1):110-9.@@Wood-Baker R, Smith R, Holgate ST: A double-blind, placebo controlled study of the effect of the specific histamine H1-receptor antagonist, terfenadine, in chronic severe asthma. Br J Clin Pharmacol. 1995 Jun;39(6):671-5.@@Phillips GD, Polosa R, Holgate ST: The effect of histamine-H1 receptor antagonism with terfenadine on concentration-related AMP-induced bronchoconstriction in asthma. Clin Exp Allergy. 1989 Jul;19(4):405-9.@@Rafferty P, Holgate ST: Terfenadine (Seldane) is a potent and selective histamine H1 receptor antagonist in asthmatic airways. Am Rev Respir Dis. 1987 Jan;135(1):181-4." Approved; Withdrawn Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Benzene Derivatives; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Muscarinic Antagonists; Piperidines; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Benzhydryl Compounds; Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 Terfenadine H1-Antihistamine Action drug_action 1918 46507007 D00521 PA451619 DAP000102 Terfenadine CHEMBL17157 42330 DB00342 Terfenadine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 10212017 "Yasuda SU, Yasuda RP: Affinities of brompheniramine, chlorpheniramine, and terfenadine at the five human muscarinic cholinergic receptor subtypes. Pharmacotherapy. 1999 Apr;19(4):447-51." Approved; Withdrawn Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Benzene Derivatives; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Muscarinic Antagonists; Piperidines; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Benzhydryl Compounds; Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 Terfenadine H1-Antihistamine Action drug_action 1918 46507007 D00521 PA451619 DAP000102 Terfenadine CHEMBL17157 42330 DB00342 Terfenadine BE0000247 CHRM5 P08912 ACM5_HUMAN binder 10212017 "Yasuda SU, Yasuda RP: Affinities of brompheniramine, chlorpheniramine, and terfenadine at the five human muscarinic cholinergic receptor subtypes. Pharmacotherapy. 1999 Apr;19(4):447-51." Approved; Withdrawn Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Benzene Derivatives; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Muscarinic Antagonists; Piperidines; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Benzhydryl Compounds; Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 Terfenadine H1-Antihistamine Action drug_action 1918 46507007 D00521 PA451619 DAP000102 Terfenadine CHEMBL17157 42330 DB00342 Terfenadine BE0000560 CHRM2 P08172 ACM2_HUMAN binder 10212017 "Yasuda SU, Yasuda RP: Affinities of brompheniramine, chlorpheniramine, and terfenadine at the five human muscarinic cholinergic receptor subtypes. Pharmacotherapy. 1999 Apr;19(4):447-51." Approved; Withdrawn Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Benzene Derivatives; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Muscarinic Antagonists; Piperidines; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Benzhydryl Compounds; Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 Terfenadine H1-Antihistamine Action drug_action 1918 46507007 D00521 PA451619 DAP000102 Terfenadine CHEMBL17157 42330 DB00343 Diltiazem BE0000430 CACNA1C Q13936 CAC1C_HUMAN blocker 10226758 "O'Connor SE, Grosset A, Janiak P: The pharmacological basis and pathophysiological significance of the heart rate-lowering property of diltiazem. Fundam Clin Pharmacol. 1999;13(2):145-53." Approved; Investigational Benzothiazepines Organic compounds; Organoheterocyclic compounds; Benzothiazepines "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Benzothiazepine Derivatives; QTc Prolonging Agents; Miscellaneous Calcium-channel Blocking Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (moderate); Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP3A7 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A Inhibitors; Negative Inotrope; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Benzazepines; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A7 Substrates; Selective Calcium Channel Blockers With Direct Cardiac Effects; Vasoprotectives" COC1=CC=C(C=C1)[C@@H]1SC2=C(C=CC=C2)N(CCN(C)C)C(=O)[C@@H]1OC(C)=O Diltiazem Action Pathway drug_action 1926 46505667 D07845 PA449334 DAP001262 Diltiazem CHEMBL23 3443 DB00343 Diltiazem BE0000679 CACNG1 Q06432 CCG1_HUMAN blocker 19929811; 15320693 "Budriesi R, Ioan P, Carosati E, Cruciani G, Zhorov BS, Chiarini A: Ligands of diltiazem binding site: an overview of some chemotypes. Mini Rev Med Chem. 2009 Oct;9(12):1379-88.@@Romero M, Sanchez I, Pujol MD: New advances in the field of calcium channel antagonists: cardiovascular effects and structure-activity relationships. Curr Med Chem Cardiovasc Hematol Agents. 2003 Jun;1(2):113-41." Approved; Investigational Benzothiazepines Organic compounds; Organoheterocyclic compounds; Benzothiazepines "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Benzothiazepine Derivatives; QTc Prolonging Agents; Miscellaneous Calcium-channel Blocking Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (moderate); Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP3A7 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A Inhibitors; Negative Inotrope; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Benzazepines; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A7 Substrates; Selective Calcium Channel Blockers With Direct Cardiac Effects; Vasoprotectives" COC1=CC=C(C=C1)[C@@H]1SC2=C(C=CC=C2)N(CCN(C)C)C(=O)[C@@H]1OC(C)=O Diltiazem Action Pathway drug_action 1926 46505667 D07845 PA449334 DAP001262 Diltiazem CHEMBL23 3443 DB00346 Alfuzosin BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist 11893233; 15639685 "McKeage K, Plosker GL: Alfuzosin: a review of the therapeutic use of the prolonged-release formulation given once daily in the management of benign prostatic hyperplasia. Drugs. 2002;62(4):633-53.@@Lowe FC: Role of the newer alpha, -adrenergic-receptor antagonists in the treatment of benign prostatic hyperplasia-related lower urinary tract symptoms. Clin Ther. 2004 Nov;26(11):1701-13." Approved; Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Prostatic Hyperplasia; QTc Prolonging Agents; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Urological Agents; Cytochrome P-450 Substrates; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Selective Alfa-1-adrenergic Blocking Agents; Neurotransmitter Agents; Adrenergic Agents; Drugs Used in Benign Prostatic Hypertrophy" COC1=CC2=C(C=C1OC)C(N)=NC(=N2)N(C)CCCNC(=O)C1CCCO1 12699 46508512 D07124 PA164774795 DCL000664 Alfuzosin CHEMBL709 17300 DB00346 Alfuzosin BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 8799556; 9122046; 15639685; 8196478; 16613526; 16553574; 11750253 "Kenny BA, Miller AM, Williamson IJ, O'Connell J, Chalmers DH, Naylor AM: Evaluation of the pharmacological selectivity profile of alpha 1 adrenoceptor antagonists at prostatic alpha 1 adrenoceptors: binding, functional and in vivo studies. Br J Pharmacol. 1996 Jun;118(4):871-8.@@Andersson KE, Lepor H, Wyllie MG: Prostatic alpha 1-adrenoceptors and uroselectivity. Prostate. 1997 Feb 15;30(3):202-15.@@Lowe FC: Role of the newer alpha, -adrenergic-receptor antagonists in the treatment of benign prostatic hyperplasia-related lower urinary tract symptoms. Clin Ther. 2004 Nov;26(11):1701-13.@@Faure C, Pimoule C, Vallancien G, Langer SZ, Graham D: Identification of alpha 1-adrenoceptor subtypes present in the human prostate. Life Sci. 1994;54(21):1595-605.@@McVary KT: BPH: epidemiology and comorbidities. Am J Manag Care. 2006 Apr;12(5 Suppl):S122-8.@@Elhilali MM: Alfuzosin: an alpha1-receptor blocker for the treatment of lower urinary tract symptoms associated with benign prostatic hyperplasia. Expert Opin Pharmacother. 2006 Apr;7(5):583-96.@@Roehrborn CG: Alfuzosin: overview of pharmacokinetics, safety, and efficacy of a clinically uroselective alpha-blocker. Urology. 2001 Dec;58(6 Suppl 1):55-63; discussion 63-4." Approved; Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Prostatic Hyperplasia; QTc Prolonging Agents; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Urological Agents; Cytochrome P-450 Substrates; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Selective Alfa-1-adrenergic Blocking Agents; Neurotransmitter Agents; Adrenergic Agents; Drugs Used in Benign Prostatic Hypertrophy" COC1=CC2=C(C=C1OC)C(N)=NC(=N2)N(C)CCCNC(=O)C1CCCO1 12699 46508512 D07124 PA164774795 DCL000664 Alfuzosin CHEMBL709 17300 DB00348 Nitisinone BE0000455 HPD P32754 HPPD_HUMAN inhibitor 11752352; 15931360; 14668946; 12142814; 15931605; 18422479 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Fisher AA, Davis MW: Alkaptonuric ochronosis with aortic valve and joint replacements and femoral fracture: a case report and literature review. Clin Med Res. 2004 Nov;2(4):209-15.@@Yang DY: 4-Hydroxyphenylpyruvate dioxygenase as a drug discovery target. Drug News Perspect. 2003 Oct;16(8):493-6.@@Hanauske-Abel HM, Popowicz A, Remotti H, Newfield RS, Levy J: Tyrosinemia I, a model for human diseases mediated by 2-oxoacid-utilizing dioxygenases: hepatotoxin suppression by NTBC does not normalize hepatic collagen metabolism. J Pediatr Gastroenterol Nutr. 2002 Jul;35(1):73-8.@@Suwannarat P, O'Brien K, Perry MB, Sebring N, Bernardini I, Kaiser-Kupfer MI, Rubin BI, Tsilou E, Gerber LH, Gahl WA: Use of nitisinone in patients with alkaptonuria. Metabolism. 2005 Jun;54(6):719-28.@@Santra S, Baumann U: Experience of nitisinone for the pharmacological treatment of hereditary tyrosinaemia type 1. Expert Opin Pharmacother. 2008 May;9(7):1229-36. doi: 10.1517/14656566.9.7.1229." Approved; Investigational "Benzoylcyclohexane-1,3-diones" Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Ketones; Cycloparaffins; Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Cytochrome P-450 Enzyme Inhibitors; Hydroxyphenylpyruvate Dioxygenase Inhibitors; 4-Hydroxyphenylpyruvate Dioxygenase, antagonists & inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Other Miscellaneous Therapeutic Agents; 4-Hydroxyphenyl-Pyruvate Dioxygenase Inhibitor; Benzene Derivatives; Cyclohexanes; Alimentary Tract and Metabolism; Various Alimentary Tract and Metabolism Products" [O-][N+](=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1C(=O)CCCC1=O 22811 46507380 PA164777037 DAP000774 Nitisinone CHEMBL1337 61805 DB00349 Clobazam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved; Illicit Benzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; UGT1A6 Inhibitors; GABA Agonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; GABA Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; UGT1A4 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; GABA-A Receptor Agonists; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants" CN1C2=C(C=C(Cl)C=C2)N(C2=CC=CC=C2)C(=O)CC1=O 1995 46506115 D01253 PA10888 DAP000672 Clobazam CHEMBL70418 21241 DB00350 Minoxidil BE0000270 REN P00797 RENI_HUMAN 790007 Werning C: The effect of minoxidil on blood pressure and plasma renin activity in patients with essential and renal hypertension. Klin Wochenschr. 1976 Aug 1;54(15):727-34. Approved; Investigational Dialkylarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Piperidines; Arteriolar Vasodilator; Direct Vasodilators; UGT1A1 Substrates; Potassium Channel Opener; Antihypertensive Agents; Pyrimidine Derivatives; Pyrimidines; Arteriolar Smooth Muscle, Agents Acting On; Vasodilating Agents; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Arteriolar Vasodilation" NC1=CC(=NC(N)=[N+]1[O-])N1CCCCC1 2011 46508344 D00418 PA450521 DAP000143 Minoxidil CHEMBL802 6984 DB00351 Megestrol acetate BE0000557 PGR P06401 PRGR_HUMAN agonist 19731987; 14687437; 16343217; 15086241; 19434889; 15595341; 9744490; 2982481; 11752352 "Vadivelu S, Sharer L, Schulder M: Regression of multiple intracranial meningiomas after cessation of long-term progesterone agonist therapy. J Neurosurg. 2010 May;112(5):920-4. doi: 10.3171/2009.8.JNS09201.@@Mokbel K: Focus on anastrozole and breast cancer. Curr Med Res Opin. 2003;19(8):683-8.@@Wentling GK, Sevin BU, Geiger XJ, Bridges MD: Benign metastasizing leiomyoma responsive to megestrol: case report and review of the literature. Int J Gynecol Cancer. 2005 Nov-Dec;15(6):1213-7.@@Gruber T, Dare AO, Balos LL, Lele S, Fenstermaker RA: Multiple meningiomas arising during long-term therapy with the progesterone agonist megestrol acetate. Case report. J Neurosurg. 2004 Feb;100(2):328-31.@@Schindler AE, Campagnoli C, Druckmann R, Huber J, Pasqualini JR, Schweppe KW, Thijssen JH: Classification and pharmacology of progestins. Maturitas. 2008 Sep-Oct;61(1-2):171-80.@@Wermers RA, Hurley DL, Kearns AE: Osteoporosis associated with megestrol acetate. Mayo Clin Proc. 2004 Dec;79(12):1557-61.@@Wiedemann K, Hirschmann M, Knaudt K, Rupprecht R, Seier FE, Holsboer F: Sleep endocrine effects of megestrol acetate in healthy men. J Neuroendocrinol. 1998 Sep;10(9):719-27.@@Lamberts SW, Uitterlinden P, Bons EG, Verleun T: Comparison of the actions of RU 38486 and megestrol acetate in the model of a transplantable adrenocorticotropin- and prolactin-secreting rat pituitary tumor. Cancer Res. 1985 Mar;45(3):1015-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Central Nervous System Stimulants; Progestins; Cytochrome P-450 Substrates; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Steroids; Antineoplastic Agents; P-glycoprotein inhibitors; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Megestrol; Contraceptive Agents, Hormonal; Appetite Stimulants; Contraceptives, Oral, Hormonal; Antineoplastic and Immunomodulating Agents; Contraceptives, Oral; Endocrine Therapy; Central Nervous System Agents; Hormones and Related Agents; Pregnadien Derivatives; Antineoplastic Agents, Hormonal; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Pregnadienes; Pregnanes" [H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C 7534 46505827 D00952 PA450351 DAP000861 Megestrol CHEMBL1201139 29451 DB00351 Megestrol acetate BE0000794 NR3C1 P04150 GCR_HUMAN agonist 15595341; 18411198; 9744490; 9195366; 2982481; 6222739 "Wermers RA, Hurley DL, Kearns AE: Osteoporosis associated with megestrol acetate. Mayo Clin Proc. 2004 Dec;79(12):1557-61.@@Gonzalez Villarroel P, Fernandez Perez I, Paramo C, Gentil Gonzalez M, Carnero Lopez B, Vazquez Tunas ML, Carrasco Alvarez JA: Megestrol acetate-induced adrenal insufficiency. Clin Transl Oncol. 2008 Apr;10(4):235-7.@@Wiedemann K, Hirschmann M, Knaudt K, Rupprecht R, Seier FE, Holsboer F: Sleep endocrine effects of megestrol acetate in healthy men. J Neuroendocrinol. 1998 Sep;10(9):719-27.@@Chao Y, Chan WK, Wang SS, Lai KH, Chi CW, Lin CY, Chan A, Whang-Peng J, Lui WY, Lee SD: Phase II study of megestrol acetate in the treatment of hepatocellular carcinoma. J Gastroenterol Hepatol. 1997 Apr;12(4):277-81.@@Lamberts SW, Uitterlinden P, Bons EG, Verleun T: Comparison of the actions of RU 38486 and megestrol acetate in the model of a transplantable adrenocorticotropin- and prolactin-secreting rat pituitary tumor. Cancer Res. 1985 Mar;45(3):1015-9.@@Kontula K, Paavonen T, Luukkainen T, Andersson LC: Binding of progestins to the glucocorticoid receptor. Correlation to their glucocorticoid-like effects on in vitro functions of human mononuclear leukocytes. Biochem Pharmacol. 1983 May 1;32(9):1511-8." Approved; Investigational; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Central Nervous System Stimulants; Progestins; Cytochrome P-450 Substrates; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Steroids; Antineoplastic Agents; P-glycoprotein inhibitors; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Megestrol; Contraceptive Agents, Hormonal; Appetite Stimulants; Contraceptives, Oral, Hormonal; Antineoplastic and Immunomodulating Agents; Contraceptives, Oral; Endocrine Therapy; Central Nervous System Agents; Hormones and Related Agents; Pregnadien Derivatives; Antineoplastic Agents, Hormonal; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Pregnadienes; Pregnanes" [H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C 7534 46505827 D00952 PA450351 DAP000861 Megestrol CHEMBL1201139 29451 DB00353 Methylergometrine BE0000393 HTR2B P41595 5HT2B_HUMAN 11104741 "Rothman RB, Baumann MH, Savage JE, Rauser L, McBride A, Hufeisen SJ, Roth BL: Evidence for possible involvement of 5-HT(2B) receptors in the cardiac valvulopathy associated with fenfluramine and other serotonergic medications. Circulation. 2000 Dec 5;102(23):2836-41." Approved Lysergamides Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Reproductive Control Agents; Heterocyclic Compounds, Fused-Ring; Uterotonic agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inhibitors; Alkaloids; Agents that produce hypertension; Ergot Alkaloids and Derivatives; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Substrates; Genito Urinary System and Sex Hormones; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergonovine" [H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N[C@@H](CC)CO 46507746 D00680 PA450461 DAP000978 Methylergometrine CHEMBL1201356 6883 DB00354 Buclizine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Potential QTc-Prolonging Agents; Anticholinergic Agents; Muscarinic Antagonists; Piperazine Derivatives; QTc Prolonging Agents; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Histamine Agents; Antihistamines for Systemic Use; Agents producing tachycardia CC(C)(C)C1=CC=C(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1 Buclizine H1-Antihistamine Action drug_action 46507608 D07547 PA164748223 DAP001076 Buclizine CHEMBL1201271 59636 DB00356 Chlorzoxazone BE0000553 KCNMA1 Q12791 KCMA1_HUMAN 16859676; 20505091; 10712246 "Dong DL, Luan Y, Feng TM, Fan CL, Yue P, Sun ZJ, Gu RM, Yang BF: Chlorzoxazone inhibits contraction of rat thoracic aorta. Eur J Pharmacol. 2006 Sep 18;545(2-3):161-6. Epub 2006 Jun 29.@@Alvina K, Khodakhah K: KCa channels as therapeutic targets in episodic ataxia type-2. J Neurosci. 2010 May 26;30(21):7249-57. doi: 10.1523/JNEUROSCI.6341-09.2010.@@Syme CA, Gerlach AC, Singh AK, Devor DC: Pharmacological activation of cloned intermediate- and small-conductance Ca(2+)-activated K(+) channels. Am J Physiol Cell Physiol. 2000 Mar;278(3):C570-81." Approved Benzoxazolones Organic compounds; Organoheterocyclic compounds; Benzoxazoles; Benzoxazolones "Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Oxazol, Thiazine, and Triazine Derivatives; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Muscle Relaxants; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Musculo-Skeletal System; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2E1 Inhibitors; Central Nervous System Agents; Cytochrome P-450 CYP1A2 Substrates; Centrally-mediated Muscle Relaxation; Benzoxazoles and derivatives" ClC1=CC2=C(OC(=O)N2)C=C1 5883 46507755 D00771 PA448971 DAP000952 Chlorzoxazone CHEMBL1371 2410 DB00357 Aminoglutethimide BE0002090 CYP19A1 P11511 CP19A_HUMAN inhibitor 17139284; 17016423; 16332571; 16244789; 16474421; 17602675; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Greco F, Vicent MJ, Penning NA, Nicholson RI, Duncan R: HPMA copolymer-aminoglutethimide conjugates inhibit aromatase in MCF-7 cell lines. J Drug Target. 2005 Sep-Nov;13(8-9):459-70.@@Martinez-Campa C, Gonzalez A, Mediavilla MD, Alonso-Gonzalez C, Sanchez-Barcelo EJ, Cos S: Melatonin enhances the inhibitory effect of aminoglutethimide on aromatase activity in MCF-7 human breast cancer cells. Breast Cancer Res Treat. 2005 Dec;94(3):249-54. Epub 2005 Oct 22.@@Shirakawa H, Katsuki H, Kume T, Kaneko S, Akaike A: Aminoglutethimide prevents excitotoxic and ischemic injuries in cortical neurons. Br J Pharmacol. 2006 Apr;147(7):729-36.@@Siraki AG, Bonini MG, Jiang J, Ehrenshaft M, Mason RP: Aminoglutethimide-induced protein free radical formation on myeloperoxidase: a potential mechanism of agranulocytosis. Chem Res Toxicol. 2007 Jul;20(7):1038-45. Epub 2007 Jun 30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Aniline and substituted anilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines "Enzyme Inhibitors; Hormone Antagonists; Cytochrome P-450 Enzyme Inducers; Piperidones; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Estrogen Antagonists; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Aromatase Inhibitors; Steroid Synthesis Inhibitors; Antineoplastic and Immunomodulating Agents; Piperidines; Cytochrome P-450 CYP2C19 Inducers; Endocrine Therapy; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs; Hormone Antagonists and Related Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1 1927 46506066 D00574 PA448375 DAP000842 Aminoglutethimide CHEMBL488 677 DB00358 Mefloquine BE0000924 ADORA2A P29274 AA2AR_HUMAN antagonist 18406614 "Gillespie RJ, Adams DR, Bebbington D, Benwell K, Cliffe IA, Dawson CE, Dourish CT, Fletcher A, Gaur S, Giles PR, Jordan AM, Knight AR, Knutsen LJ, Lawrence A, Lerpiniere J, Misra A, Porter RH, Pratt RM, Shepherd R, Upton R, Ward SE, Weiss SM, Williamson DS: Antagonists of the human adenosine A2A receptor. Part 1: Discovery and synthesis of thieno[3,2-d]pyrimidine-4-methanone derivatives. Bioorg Med Chem Lett. 2008 May 1;18(9):2916-9. doi: 10.1016/j.bmcl.2008.03.075. Epub 2008 Mar 30." Approved; Investigational 4-quinolinemethanols Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; 4-quinolinemethanols "QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Cytochrome P-450 CYP3A Inhibitors; Antiprotozoals; Antimalarials; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Aminoquinolines; Agents Causing Muscle Toxicity; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Antiparasitic Agents; Anti-Infective Agents; Antimalarial methanolquinolines; Cholinesterase Inhibitors; Quinolines" OC(C1CCCCN1)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F 11386 46505610 D04895 PA450348 DAP001310 Mefloquine CHEMBL416956 6694 DB00360 Sapropterin BE0000121 TPH1 P17752 TPH1_HUMAN cofactor 10381000; 11472242; 12414107; 15223360; 2665179 "Chamas F, Serova L, Sabban EL: Tryptophan hydroxylase mRNA levels are elevated by repeated immobilization stress in rat raphe nuclei but not in pineal gland. Neurosci Lett. 1999 Jun 4;267(3):157-60.@@Martinez A, Knappskog PM, Haavik J: A structural approach into human tryptophan hydroxylase and its implications for the regulation of serotonin biosynthesis. Curr Med Chem. 2001 Jul;8(9):1077-91.@@Ikemoto K, Suzuki T, Ichinose H, Ohye T, Nishimura A, Nishi K, Nagatsu I, Nagatsu T: Localization of sepiapterin reductase in the human brain. Brain Res. 2002 Nov 8;954(2):237-46.@@Serova LI, Maharjan S, Huang A, Sun D, Kaley G, Sabban EL: Response of tyrosine hydroxylase and GTP cyclohydrolase I gene expression to estrogen in brain catecholaminergic regions varies with mode of administration. Brain Res. 2004 Jul 23;1015(1-2):1-8.@@Haavik J: [From butterflies to neurobiology and the diagnosis of AIDS. The 100th anniversary of the discovery of pteridines]. Tidsskr Nor Laegeforen. 1989 Jun 30;109(19-21):1986-9." Approved; Investigational Biopterins and derivatives Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives "Supplements; Amines; Enzymes and Coenzymes; Phenylalanine Hydroxylase Activator; Dietary Supplements; BCRP/ABCG2 Inhibitors; Pterins; Nitric Oxide Synthase; Alimentary Tract and Metabolism; P-glycoprotein inhibitors; Phenylalanine Hydroxylase Activators; Heterocyclic Compounds, Fused-Ring; Coenzymes; Phenethylamines; Various Alimentary Tract and Metabolism Products; Pteridines; Ethylamines; Other Miscellaneous Therapeutic Agents" [H][C@@]1(CNC2=C(N1)C(=O)NC(N)=N2)[C@@H](O)[C@H](C)O "Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Hyperornithinemia with Gyrate Atrophy (HOGA); Sepiapterin Reductase Deficiency; DOPA-Responsive Dystonia; Alkaptonuria; Tyrosine Metabolism; Pterine Biosynthesis; Disulfiram Action Pathway; Hyperprolinemia Type II; Hyperphenylalaninemia Due to DHPR-Deficiency; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency; L-Arginine:Glycine Amidinotransferase Deficiency; Tyrosinemia Type I; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Tryptophan Metabolism; Doxorubicin Metabolism Pathway; Segawa Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Prolinemia Type II" signaling; drug_action; metabolic; drug_metabolism; disease 20591 46508597 D08505 PA161990676 DNC000425 Tetrahydrobiopterin CHEMBL1201774 753340 DB00363 Clozapine BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved Dibenzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12 1196 46506474 D00283 PA449061 DAP000029 Clozapine CHEMBL42 2626 DB00363 Clozapine BE0000476 HTR1E P28566 5HT1E_HUMAN antagonist 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved Dibenzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12 1196 46506474 D00283 PA449061 DAP000029 Clozapine CHEMBL42 2626 DB00363 Clozapine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 15917433; 16182256 "Sodhi MS, Airey DC, Lambert W, Burnet PW, Harrison PJ, Sanders-Bush E: A rapid new assay to detect RNA editing reveals antipsychotic-induced changes in serotonin-2C transcripts. Mol Pharmacol. 2005 Sep;68(3):711-9. Epub 2005 May 25.@@Navailles S, De Deurwaerdere P, Spampinato U: Clozapine and haloperidol differentially alter the constitutive activity of central serotonin2C receptors in vivo. Biol Psychiatry. 2006 Mar 15;59(6):568-75. Epub 2005 Sep 22." Approved Dibenzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12 1196 46506474 D00283 PA449061 DAP000029 Clozapine CHEMBL42 2626 DB00363 Clozapine BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved Dibenzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12 1196 46506474 D00283 PA449061 DAP000029 Clozapine CHEMBL42 2626 DB00363 Clozapine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11752352; 17382376; 7520908 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Roegge CS, Perraut C, Hao X, Levin ED: Histamine H1 receptor involvement in prepulse inhibition and memory function: relevance for the antipsychotic actions of clozapine. Pharmacol Biochem Behav. 2007 Apr;86(4):686-92. Epub 2007 Feb 22.@@Leysen JE, Janssen PM, Megens AA, Schotte A: Risperidone: a novel antipsychotic with balanced serotonin-dopamine antagonism, receptor occupancy profile, and pharmacologic activity. J Clin Psychiatry. 1994 May;55 Suppl:5-12." Approved Dibenzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12 1196 46506474 D00283 PA449061 DAP000029 Clozapine CHEMBL42 2626 DB00363 Clozapine BE0000560 CHRM2 P08172 ACM2_HUMAN partial agonist 17848919; 33647377 "Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Foster DJ, Bryant ZK, Conn PJ: Targeting muscarinic receptors to treat schizophrenia. Behav Brain Res. 2021 May 7;405:113201. doi: 10.1016/j.bbr.2021.113201. Epub 2021 Feb 26." Approved Dibenzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12 1196 46506474 D00283 PA449061 DAP000029 Clozapine CHEMBL42 2626 DB00363 Clozapine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 17848919; 33647377 "Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Foster DJ, Bryant ZK, Conn PJ: Targeting muscarinic receptors to treat schizophrenia. Behav Brain Res. 2021 May 7;405:113201. doi: 10.1016/j.bbr.2021.113201. Epub 2021 Feb 26." Approved Dibenzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12 1196 46506474 D00283 PA449061 DAP000029 Clozapine CHEMBL42 2626 DB00363 Clozapine BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 17848919; 33647377 "Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Foster DJ, Bryant ZK, Conn PJ: Targeting muscarinic receptors to treat schizophrenia. Behav Brain Res. 2021 May 7;405:113201. doi: 10.1016/j.bbr.2021.113201. Epub 2021 Feb 26." Approved Dibenzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12 1196 46506474 D00283 PA449061 DAP000029 Clozapine CHEMBL42 2626 DB00363 Clozapine BE0000666 CALY Q9NYX4 CALY_HUMAN unknown 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Dibenzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12 1196 46506474 D00283 PA449061 DAP000029 Clozapine CHEMBL42 2626 DB00363 Clozapine BE0002340 GABBR2 O75899 GABR2_HUMAN positive modulator 32203158 "Nair PC, McKinnon RA, Miners JO, Bastiampillai T: Binding of clozapine to the GABA(B) receptor: clinical and structural insights. Mol Psychiatry. 2020 Sep;25(9):1910-1919. doi: 10.1038/s41380-020-0709-5. Epub 2020 Mar 13." Approved Dibenzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12 1196 46506474 D00283 PA449061 DAP000029 Clozapine CHEMBL42 2626 DB00363 Clozapine BE0000795 GABRA1 P14867 GBRA1_HUMAN antagonist 8532064; 9016840 "Korpi ER, Wong G, Luddens H: Subtype specificity of gamma-aminobutyric acid type A receptor antagonism by clozapine. Naunyn Schmiedebergs Arch Pharmacol. 1995 Oct;352(4):365-73. doi: 10.1007/BF00172773.@@Squires RF, Saederup E: Clozapine and some other antipsychotic drugs may preferentially block the same subset of GABA(A) receptors. Neurochem Res. 1997 Feb;22(2):151-62. doi: 10.1023/a:1027359422433." Approved Dibenzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12 1196 46506474 D00283 PA449061 DAP000029 Clozapine CHEMBL42 2626 DB00363 Clozapine BE0002344 GABRB1 P18505 GBRB1_HUMAN antagonist 8532064; 9016840 "Korpi ER, Wong G, Luddens H: Subtype specificity of gamma-aminobutyric acid type A receptor antagonism by clozapine. Naunyn Schmiedebergs Arch Pharmacol. 1995 Oct;352(4):365-73. doi: 10.1007/BF00172773.@@Squires RF, Saederup E: Clozapine and some other antipsychotic drugs may preferentially block the same subset of GABA(A) receptors. Neurochem Res. 1997 Feb;22(2):151-62. doi: 10.1023/a:1027359422433." Approved Dibenzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12 1196 46506474 D00283 PA449061 DAP000029 Clozapine CHEMBL42 2626 DB00364 Sucralfate BE0001015 FGF2 P09038 FGF2_HUMAN agonist 1957124; 8578218; 8578198; 7948825 "Szabo S: The mode of action of sucralfate: the 1 x 1 x 1 mechanism of action. Scand J Gastroenterol Suppl. 1991;185:7-12.@@Tarnawski A, Tanoue K, Santos AM, Sarfeh IJ: Cellular and molecular mechanisms of gastric ulcer healing. Is the quality of mucosal scar affected by treatment? Scand J Gastroenterol Suppl. 1995;210:9-14.@@Szabo S, Kusstatscher S, Sakoulas G, Sandor Z, Vincze A, Jadus M: Growth factors: new 'endogenous drugs' for ulcer healing. Scand J Gastroenterol Suppl. 1995;210:15-8.@@Korman MG, Bolin TD, Szabo S, Hunt RH, Marks IN, Glise H: Sucralfate: the Bangkok review. J Gastroenterol Hepatol. 1994 Jul-Aug;9(4):412-5." Approved Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Anti-Ulcer Agents; Organometallic Compounds; Thioglycosides; Aluminum Complex; Glycosides; Protectants; Metal divalent cations; Carbohydrates; Drugs for Acid Related Disorders; Sulfur Compounds; Drugs that are Mainly Renally Excreted; Gastric Cytoprotectants; Gastrointestinal Agents; Metal cations; Aluminium Compounds; Alimentary Tract and Metabolism O.O[Al](O)O.O[Al](O)OS(=O)(=O)OC[C@H]1O[C@@](COS(=O)(=O)O[Al](O)O)(O[C@H]2O[C@H](COS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@H]2OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O 2023 46508862 PA451524 Sucralfate CHEMBL2029132 10156 DB00364 Sucralfate BE0000953 EGF P01133 EGF_HUMAN inducer 8578218; 1957124; 1970337 "Tarnawski A, Tanoue K, Santos AM, Sarfeh IJ: Cellular and molecular mechanisms of gastric ulcer healing. Is the quality of mucosal scar affected by treatment? Scand J Gastroenterol Suppl. 1995;210:9-14.@@Szabo S: The mode of action of sucralfate: the 1 x 1 x 1 mechanism of action. Scand J Gastroenterol Suppl. 1991;185:7-12.@@Konturek SJ: Role of growth factors in gastroduodenal protection and healing of peptic ulcers. Gastroenterol Clin North Am. 1990 Mar;19(1):41-65." Approved Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Anti-Ulcer Agents; Organometallic Compounds; Thioglycosides; Aluminum Complex; Glycosides; Protectants; Metal divalent cations; Carbohydrates; Drugs for Acid Related Disorders; Sulfur Compounds; Drugs that are Mainly Renally Excreted; Gastric Cytoprotectants; Gastrointestinal Agents; Metal cations; Aluminium Compounds; Alimentary Tract and Metabolism O.O[Al](O)O.O[Al](O)OS(=O)(=O)OC[C@H]1O[C@@](COS(=O)(=O)O[Al](O)O)(O[C@H]2O[C@H](COS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@H]2OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O 2023 46508862 PA451524 Sucralfate CHEMBL2029132 10156 DB00366 Doxylamine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 17139284; 17016423; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Vet_approved Benzylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers QTc Prolonging Agents; Aminoalkyl Ethers; Histamine H1 Antagonists; Agents producing tachycardia; Gastrointestinal Agents; Autonomic Agents; Pyridines; Central Nervous System Depressants; Histamine Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Peripheral Nervous System Agents; Histamine Receptor Antagonists; Muscarinic Antagonists; Central Nervous System Agents; Neurotransmitter Agents; Ethanolamine Derivatives; Antiemetics; Antihistamines for Systemic Use; Histamine Agents CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1 Doxylamine H1-Antihistamine Action drug_action 10224 46506354 D02327 PA449419 DAP000859 Doxylamine CHEMBL1004 3642 DB00366 Doxylamine BE0004890 CHRM1 P08912 ACM5_HUMAN antagonist 21686586 "Syed H, Som S, Khan N, Faltas W: Doxylamine toxicity: seizure, rhabdomyolysis and false positive urine drug screen for methadone. BMJ Case Rep. 2009;2009. pii: bcr09.2008.0879. doi: 10.1136/bcr.09.2008.0879. Epub 2009 Mar 17." Approved; Vet_approved Benzylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers QTc Prolonging Agents; Aminoalkyl Ethers; Histamine H1 Antagonists; Agents producing tachycardia; Gastrointestinal Agents; Autonomic Agents; Pyridines; Central Nervous System Depressants; Histamine Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Peripheral Nervous System Agents; Histamine Receptor Antagonists; Muscarinic Antagonists; Central Nervous System Agents; Neurotransmitter Agents; Ethanolamine Derivatives; Antiemetics; Antihistamines for Systemic Use; Histamine Agents CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1 Doxylamine H1-Antihistamine Action drug_action 10224 46506354 D02327 PA449419 DAP000859 Doxylamine CHEMBL1004 3642 DB00367 Levonorgestrel BE0000557 PGR P06401 PRGR_HUMAN modulator 17531625; 17484506; 17077229; 16157482 "Maruo T, Ohara N, Matsuo H, Xu Q, Chen W, Sitruk-Ware R, Johansson ED: Effects of levonorgestrel-releasing IUS and progesterone receptor modulator PRM CDB-2914 on uterine leiomyomas. Contraception. 2007 Jun;75(6 Suppl):S99-103. Epub 2007 Mar 21.@@Hompes PG, Mijatovic V: Endometriosis: the way forward. Gynecol Endocrinol. 2007 Jan;23(1):5-12.@@Creinin MD, Schlaff W, Archer DF, Wan L, Frezieres R, Thomas M, Rosenberg M, Higgins J: Progesterone receptor modulator for emergency contraception: a randomized controlled trial. Obstet Gynecol. 2006 Nov;108(5):1089-97.@@Bray JD, Jelinsky S, Ghatge R, Bray JA, Tunkey C, Saraf K, Jacobsen BM, Richer JK, Brown EL, Winneker RC, Horwitz KB, Lyttle CR: Quantitative analysis of gene regulation by seven clinically relevant progestins suggests a highly similar mechanism of action through progesterone receptors in T47D breast cancer cells. J Steroid Biochem Mol Biol. 2005 Dec;97(4):328-41. Epub 2005 Sep 12." Approved; Investigational Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Progestin Contraceptives; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral; Inhibit Ovum Fertilization; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] 7490 46508082 D00950 PA450218 DAP001207 Levonorgestrel CHEMBL1389 6373 DB00367 Levonorgestrel BE0000123 ESR1 P03372 ESR1_HUMAN other/unknown 16325240; 16609013; 21791876; 12589940; 1562565 "Vereide AB, Kaino T, Sager G, Arnes M, Orbo A: Effect of levonorgestrel IUD and oral medroxyprogesterone acetate on glandular and stromal progesterone receptors (PRA and PRB), and estrogen receptors (ER-alpha and ER-beta) in human endometrial hyperplasia. Gynecol Oncol. 2006 May;101(2):214-23. Epub 2005 Dec 1.@@Vijayanathan V, Venkiteswaran S, Nair SK, Verma A, Thomas TJ, Zhu BT, Thomas T: Physiologic levels of 2-methoxyestradiol interfere with nongenomic signaling of 17beta-estradiol in human breast cancer cells. Clin Cancer Res. 2006 Apr 1;12(7 Pt 1):2038-48.@@Lv XH, Shi DZ: Effects of levonorgestrel on reproductive hormone levels and their receptor expression in Mongolian gerbils (Meriones unguiculatus). Exp Anim. 2011;60(4):363-71. doi: 10.1538/expanim.60.363.@@Garcia-Becerra R, Borja-Cacho E, Cooney AJ, Jackson KJ, Lemus AE, Perez-Palacios G, Larrea F: The intrinsic transcriptional estrogenic activity of a non-phenolic derivative of levonorgestrel is mediated via the estrogen receptor-alpha. J Steroid Biochem Mol Biol. 2002 Nov;82(4-5):333-41.@@Lemus AE, Vilchis F, Damsky R, Chavez BA, Garcia GA, Grillasca I, Perez-Palacios G: Mechanism of action of levonorgestrel: in vitro metabolism and specific interactions with steroid receptors in target organs. J Steroid Biochem Mol Biol. 1992 Mar;41(3-8):881-90." Approved; Investigational Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Progestin Contraceptives; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral; Inhibit Ovum Fertilization; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] 7490 46508082 D00950 PA450218 DAP001207 Levonorgestrel CHEMBL1389 6373 DB00367 Levonorgestrel BE0000132 AR P10275 ANDR_HUMAN binder 14672731; 19833195; 3139361 "Shields-Botella J, Duc I, Duranti E, Puccio F, Bonnet P, Delansorne R, Paris J: An overview of nomegestrol acetate selective receptor binding and lack of estrogenic action on hormone-dependent cancer cells. J Steroid Biochem Mol Biol. 2003 Nov;87(2-3):111-22.@@Freyberger A, Weimer M, Tran HS, Ahr HJ: Assessment of a recombinant androgen receptor binding assay: initial steps towards validation. Reprod Toxicol. 2010 Aug;30(1):2-8. doi: 10.1016/j.reprotox.2009.10.001. Epub 2009 Oct 13.@@Kloosterboer HJ, Vonk-Noordegraaf CA, Turpijn EW: Selectivity in progesterone and androgen receptor binding of progestagens used in oral contraceptives. Contraception. 1988 Sep;38(3):325-32." Approved; Investigational Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Progestin Contraceptives; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral; Inhibit Ovum Fertilization; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] 7490 46508082 D00950 PA450218 DAP001207 Levonorgestrel CHEMBL1389 6373 DB00367 Levonorgestrel BE0000685 SHBG P04278 SHBG_HUMAN inhibitor 12586319; 11521119; 9866001; 2498034 "Hammond GL, Abrams LS, Creasy GW, Natarajan J, Allen JG, Siiteri PK: Serum distribution of the major metabolites of norgestimate in relation to its pharmacological properties. Contraception. 2003 Feb;67(2):93-9.@@Hammond GL, Rabe T, Wagner JD: Preclinical profiles of progestins used in formulations of oral contraceptives and hormone replacement therapy. Am J Obstet Gynecol. 2001 Aug;185(2 Suppl):S24-31.@@Alvarez F, Brache V, Tejada AS, Cochon L, Faundes A: Sex hormone binding globulin and free levonorgestrel index in the first week after insertion of Norplant implants. Contraception. 1998 Oct;58(4):211-4.@@Song S, Chen JK, He ML, Fotherby K: Effect of some oral contraceptives on serum concentrations of sex hormone binding globulin and ceruloplasmin. Contraception. 1989 Apr;39(4):385-99." Approved; Investigational Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Progestin Contraceptives; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral; Inhibit Ovum Fertilization; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] 7490 46508082 D00950 PA450218 DAP001207 Levonorgestrel CHEMBL1389 6373 DB00367 Levonorgestrel BE0000794 NR3C1 P04150 GCR_HUMAN binder 2175153 "Juchem M, Pollow K: Binding of oral contraceptive progestogens to serum proteins and cytoplasmic receptor. Am J Obstet Gynecol. 1990 Dec;163(6 Pt 2):2171-83. doi: 10.1016/0002-9378(90)90559-p." Approved; Investigational Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Progestin Contraceptives; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral; Inhibit Ovum Fertilization; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] 7490 46508082 D00950 PA450218 DAP001207 Levonorgestrel CHEMBL1389 6373 DB00368 Norepinephrine BE0000715 ADRA1D P25100 ADA1D_HUMAN agonist 17139284; 17016423; 15451776; 7582530; 7674815; 17266602; 18064417 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Cleary L, Slattery J, Bexis S, Docherty JR: Sympathectomy reveals alpha 1A- and alpha 1D-adrenoceptor components to contractions to noradrenaline in rat vas deferens. Br J Pharmacol. 2004 Nov;143(6):745-52. Epub 2004 Sep 27.@@Kenny BA, Chalmers DH, Philpott PC, Naylor AM: Characterization of an alpha 1D-adrenoceptor mediating the contractile response of rat aorta to noradrenaline. Br J Pharmacol. 1995 Jul;115(6):981-6.@@Testa R, Destefani C, Guarneri L, Poggesi E, Simonazzi I, Taddei C, Leonardi A: The alpha 1d-adrenoceptor subtype is involved in the noradrenaline-induced contractions of rat aorta. Life Sci. 1995;57(13):PL159-63.@@Bishop MJ: Recent advances in the discovery of alpha1-adrenoceptor agonists. Curr Top Med Chem. 2007;7(2):135-45.@@Gilsbach R, Hein L: Presynaptic metabotropic receptors for acetylcholine and adrenaline/noradrenaline. Handb Exp Pharmacol. 2008;(184):261-88." Approved Catechols Organic compounds; Benzenoids; Phenols; Benzenediols "Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Adrenergic alpha-Agonists; Biogenic Amines; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Epinephrine and similars; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Alcohols; Vasoconstrictor Agents; Adrenergic Agonists; Sympathomimetics; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Cardiac Therapy; Catechols; Adrenergic beta-3 Receptor Agonists; Biogenic Monoamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethanolamines; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents; Norepinephrine, antagonists & inhibitors" NC[C@H](O)C1=CC(O)=C(O)C=C1 "Remifentanil Action Pathway; Hydrocodone Action Pathway; Sufentanil Action Pathway; Fluoxetine Action Pathway; Morphine Action Pathway; 3-Methylthiofentanyl Action Pathway; Benzocaine Action Pathway; Oxybuprocaine Action Pathway; Codeine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency; Ketobemidone Action Pathway; Propoxyphene Action Pathway; Dihydromorphine Action Pathway; Nicotine Action Pathway; Proparacaine Action Pathway; Methadyl Acetate Action Pathway; Hawkinsinuria; Oxymorphone Action Pathway; Dimethylthiambutene Action Pathway; Fentanyl Action Pathway; Dopamine beta-Hydroxylase Deficiency; Lidocaine (Local Anaesthetic) Action Pathway; Monoamine Oxidase-A Deficiency (MAO-A); Aromatic L-Aminoacid Decarboxylase Deficiency; Hydromorphone Action Pathway; Tyrosinemia, Transient, of the Newborn; Anileridine Action Pathway; Bupivacaine Action Pathway; Levallorphan Action Pathway" disease; drug_action 7395 46506201 D00076 PA450649 DNC001034 Norepinephrine CHEMBL1437 7512 DB00368 Norepinephrine BE0001012 ADRB3 P13945 ADRB3_HUMAN agonist 17139284; 17016423; 8097243; 8106131; 8105356; 9464897 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Carpene C, Galitzky J, Collon P, Esclapez F, Dauzats M, Lafontan M: Desensitization of beta-1 and beta-2, but not beta-3, adrenoceptor-mediated lipolytic responses of adipocytes after long-term norepinephrine infusion. J Pharmacol Exp Ther. 1993 Apr;265(1):237-47.@@Galitzky J, Carpene C, Lafontan M, Berlan M: [Specific stimulation of adipose tissue adrenergic beta 3 receptors by octopamine]. C R Acad Sci III. 1993;316(5):519-23.@@Tamaoki J, Chiyotani A, Sakai N, Konno K: Stimulation of ciliary motility mediated by atypical beta-adrenoceptor in canine bronchial epithelium. Life Sci. 1993;53(20):1509-15.@@Mersmann HJ: Overview of the effects of beta-adrenergic receptor agonists on animal growth including mechanisms of action. J Anim Sci. 1998 Jan;76(1):160-72." Approved Catechols Organic compounds; Benzenoids; Phenols; Benzenediols "Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Adrenergic alpha-Agonists; Biogenic Amines; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Epinephrine and similars; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Alcohols; Vasoconstrictor Agents; Adrenergic Agonists; Sympathomimetics; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Cardiac Therapy; Catechols; Adrenergic beta-3 Receptor Agonists; Biogenic Monoamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethanolamines; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents; Norepinephrine, antagonists & inhibitors" NC[C@H](O)C1=CC(O)=C(O)C=C1 "Remifentanil Action Pathway; Hydrocodone Action Pathway; Sufentanil Action Pathway; Fluoxetine Action Pathway; Morphine Action Pathway; 3-Methylthiofentanyl Action Pathway; Benzocaine Action Pathway; Oxybuprocaine Action Pathway; Codeine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency; Ketobemidone Action Pathway; Propoxyphene Action Pathway; Dihydromorphine Action Pathway; Nicotine Action Pathway; Proparacaine Action Pathway; Methadyl Acetate Action Pathway; Hawkinsinuria; Oxymorphone Action Pathway; Dimethylthiambutene Action Pathway; Fentanyl Action Pathway; Dopamine beta-Hydroxylase Deficiency; Lidocaine (Local Anaesthetic) Action Pathway; Monoamine Oxidase-A Deficiency (MAO-A); Aromatic L-Aminoacid Decarboxylase Deficiency; Hydromorphone Action Pathway; Tyrosinemia, Transient, of the Newborn; Anileridine Action Pathway; Bupivacaine Action Pathway; Levallorphan Action Pathway" disease; drug_action 7395 46506201 D00076 PA450649 DNC001034 Norepinephrine CHEMBL1437 7512 DB00368 Norepinephrine BE0004674 SLC18A1 P54219 VMAT1_HUMAN binder 8643547 "Erickson JD, Schafer MK, Bonner TI, Eiden LE, Weihe E: Distinct pharmacological properties and distribution in neurons and endocrine cells of two isoforms of the human vesicular monoamine transporter. Proc Natl Acad Sci U S A. 1996 May 14;93(10):5166-71." Approved Catechols Organic compounds; Benzenoids; Phenols; Benzenediols "Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Adrenergic alpha-Agonists; Biogenic Amines; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Epinephrine and similars; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Alcohols; Vasoconstrictor Agents; Adrenergic Agonists; Sympathomimetics; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Cardiac Therapy; Catechols; Adrenergic beta-3 Receptor Agonists; Biogenic Monoamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethanolamines; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents; Norepinephrine, antagonists & inhibitors" NC[C@H](O)C1=CC(O)=C(O)C=C1 "Remifentanil Action Pathway; Hydrocodone Action Pathway; Sufentanil Action Pathway; Fluoxetine Action Pathway; Morphine Action Pathway; 3-Methylthiofentanyl Action Pathway; Benzocaine Action Pathway; Oxybuprocaine Action Pathway; Codeine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency; Ketobemidone Action Pathway; Propoxyphene Action Pathway; Dihydromorphine Action Pathway; Nicotine Action Pathway; Proparacaine Action Pathway; Methadyl Acetate Action Pathway; Hawkinsinuria; Oxymorphone Action Pathway; Dimethylthiambutene Action Pathway; Fentanyl Action Pathway; Dopamine beta-Hydroxylase Deficiency; Lidocaine (Local Anaesthetic) Action Pathway; Monoamine Oxidase-A Deficiency (MAO-A); Aromatic L-Aminoacid Decarboxylase Deficiency; Hydromorphone Action Pathway; Tyrosinemia, Transient, of the Newborn; Anileridine Action Pathway; Bupivacaine Action Pathway; Levallorphan Action Pathway" disease; drug_action 7395 46506201 D00076 PA450649 DNC001034 Norepinephrine CHEMBL1437 7512 DB00370 Mirtazapine BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist 9265949 Nutt D: Mirtazapine: pharmacology in relation to adverse effects. Acta Psychiatr Scand Suppl. 1997;391:31-7. Approved Piperazinoazepines Organic compounds; Organoheterocyclic compounds; Piperazinoazepines "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Adrenergic alpha-2 Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT3 Receptor Antagonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Miscellaneous Antidepressants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CN1CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1 Mirtazapine H1-Antihistamine Action drug_action 12209 46506965 D00563 PA450522 DAP000010 Mirtazapine CHEMBL654 15996 DB00370 Mirtazapine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 14615872; 10762339; 9832994; 16433010; 11271412 "Benelli A, Frigeri C, Bertolini A, Genedani S: Influence of mirtazapine on the sexual behavior of male rats. Psychopharmacology (Berl). 2004 Jan;171(3):250-8. Epub 2003 Nov 13.@@Millan MJ, Gobert A, Rivet JM, Adhumeau-Auclair A, Cussac D, Newman-Tancredi A, Dekeyne A, Nicolas JP, Lejeune F: Mirtazapine enhances frontocortical dopaminergic and corticolimbic adrenergic, but not serotonergic, transmission by blockade of alpha2-adrenergic and serotonin2C receptors: a comparison with citalopram. Eur J Neurosci. 2000 Mar;12(3):1079-95.@@Meert TF, Melis W, Aerts N, Clincke G: Antagonism of meta-chlorophenylpiperazine-induced inhibition of exploratory activity in an emergence procedure, the open field test, in rats. Behav Pharmacol. 1997 Aug;8(4):353-63.@@Millan MJ: Serotonin 5-HT2C receptors as a target for the treatment of depressive and anxious states: focus on novel therapeutic strategies. Therapie. 2005 Sep-Oct;60(5):441-60.@@Dekeyne A, Iob L, Millan MJ: Following long-term training with citalopram, both mirtazapine and mianserin block its discriminative stimulus properties in rats. Psychopharmacology (Berl). 2001 Jan;153(3):389-92." Approved Piperazinoazepines Organic compounds; Organoheterocyclic compounds; Piperazinoazepines "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Adrenergic alpha-2 Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT3 Receptor Antagonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Miscellaneous Antidepressants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CN1CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1 Mirtazapine H1-Antihistamine Action drug_action 12209 46506965 D00563 PA450522 DAP000010 Mirtazapine CHEMBL654 15996 DB00370 Mirtazapine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 23229983; 27593622; 23728612 "Vande Griend JP, Anderson SL: Histamine-1 receptor antagonism for treatment of insomnia. J Am Pharm Assoc (2003). 2012;52(6):e210-9. doi: 10.1331/JAPhA.2012.12051.@@Salvi V, Mencacci C, Barone-Adesi F: H1-histamine receptor affinity predicts weight gain with antidepressants. Eur Neuropsychopharmacol. 2016 Oct;26(10):1673-7. doi: 10.1016/j.euroneuro.2016.08.012. Epub 2016 Sep 1.@@Sato H, Ito C, Tashiro M, Hiraoka K, Shibuya K, Funaki Y, Iwata R, Matsuoka H, Yanai K: Histamine H(1) receptor occupancy by the new-generation antidepressants fluvoxamine and mirtazapine: a positron emission tomography study in healthy volunteers. Psychopharmacology (Berl). 2013 Nov;230(2):227-34. doi: 10.1007/s00213-013-3146-1. Epub 2013 Jun 1." Approved Piperazinoazepines Organic compounds; Organoheterocyclic compounds; Piperazinoazepines "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Adrenergic alpha-2 Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT3 Receptor Antagonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Miscellaneous Antidepressants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CN1CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1 Mirtazapine H1-Antihistamine Action drug_action 12209 46506965 D00563 PA450522 DAP000010 Mirtazapine CHEMBL654 15996 DB00371 Meprobamate BE0000795 GABRA1 P14867 GBRA1_HUMAN agonist 9067327; 19244096; 11752352 "Rho JM, Donevan SD, Rogawski MA: Barbiturate-like actions of the propanediol dicarbamates felbamate and meprobamate. J Pharmacol Exp Ther. 1997 Mar;280(3):1383-91.@@Gonzalez LA, Gatch MB, Taylor CM, Bell-Horner CL, Forster MJ, Dillon GH: Carisoprodol-mediated modulation of GABAA receptors: in vitro and in vivo studies. J Pharmacol Exp Ther. 2009 May;329(2):827-37. doi: 10.1124/jpet.109.151142. Epub 2009 Feb 24.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Illicit Carbamate esters "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Muscle Relaxants, Centrally Acting Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Muscle Relaxants; Tranquilizing Agents; Carbamates; Nervous System; Acids, Acyclic; Peripheral Nervous System Agents; Psycholeptics" CCCC(C)(COC(N)=O)COC(N)=O Capecitabine Metabolism Pathway; Capecitabine Action Pathway drug_metabolism; drug_action 10233 46508142 D00376 PA450377 DAP001507 Meprobamate CHEMBL979 6760 DB00371 Meprobamate BE0000381 GABRA2 P47869 GBRA2_HUMAN agonist 9067327; 19244096 "Rho JM, Donevan SD, Rogawski MA: Barbiturate-like actions of the propanediol dicarbamates felbamate and meprobamate. J Pharmacol Exp Ther. 1997 Mar;280(3):1383-91.@@Gonzalez LA, Gatch MB, Taylor CM, Bell-Horner CL, Forster MJ, Dillon GH: Carisoprodol-mediated modulation of GABAA receptors: in vitro and in vivo studies. J Pharmacol Exp Ther. 2009 May;329(2):827-37. doi: 10.1124/jpet.109.151142. Epub 2009 Feb 24." Approved; Illicit Carbamate esters "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Muscle Relaxants, Centrally Acting Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Muscle Relaxants; Tranquilizing Agents; Carbamates; Nervous System; Acids, Acyclic; Peripheral Nervous System Agents; Psycholeptics" CCCC(C)(COC(N)=O)COC(N)=O Capecitabine Metabolism Pathway; Capecitabine Action Pathway drug_metabolism; drug_action 10233 46508142 D00376 PA450377 DAP001507 Meprobamate CHEMBL979 6760 DB00374 Treprostinil BE0000368 PTGER2 P43116 PE2R2_HUMAN agonist 31403254; 28399721 "Lindegaard Pedersen M, Kruger M, Grimm D, Infanger M, Wehland M: The prostacyclin analogue treprostinil in the treatment of pulmonary arterial hypertension. Basic Clin Pharmacol Toxicol. 2019 Aug 12. doi: 10.1111/bcpt.13305.@@Del Pozo R, Hernandez Gonzalez I, Escribano-Subias P: The prostacyclin pathway in pulmonary arterial hypertension: a clinical review. Expert Rev Respir Med. 2017 Jun;11(6):491-503. doi: 10.1080/17476348.2017.1317599. Epub 2017 Apr 24." Approved; Investigational Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives "Inflammation Mediators; QTc Prolonging Agents; Vasodilation; Antihypertensive Agents; Eicosanoids; Prostacycline Vasodilator; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Platelet Aggregation Inhibitors Excl. Heparin; Fatty Acids; Prostacyclin Analogues; Potential QTc-Prolonging Agents; Biological Factors; Blood and Blood Forming Organs; Vasodilating Agents; Lipids; Prostaglandins I; Cytochrome P-450 CYP2C9 Substrates; Prostaglandins; Autacoids; Fatty Acids, Unsaturated" [H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC1=C(C2)C(OCC(O)=O)=CC=C1 12594 46504572 PA164768801 DAP001214 Treprostinil CHEMBL1237119 343048 DB00374 Treprostinil BE0001007 PPARD Q03181 PPARD_HUMAN agonist 16239641 "Ali FY, Egan K, FitzGerald GA, Desvergne B, Wahli W, Bishop-Bailey D, Warner TD, Mitchell JA: Role of prostacyclin versus peroxisome proliferator-activated receptor beta receptors in prostacyclin sensing by lung fibroblasts. Am J Respir Cell Mol Biol. 2006 Feb;34(2):242-6. Epub 2005 Oct 20." Approved; Investigational Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives "Inflammation Mediators; QTc Prolonging Agents; Vasodilation; Antihypertensive Agents; Eicosanoids; Prostacycline Vasodilator; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Platelet Aggregation Inhibitors Excl. Heparin; Fatty Acids; Prostacyclin Analogues; Potential QTc-Prolonging Agents; Biological Factors; Blood and Blood Forming Organs; Vasodilating Agents; Lipids; Prostaglandins I; Cytochrome P-450 CYP2C9 Substrates; Prostaglandins; Autacoids; Fatty Acids, Unsaturated" [H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC1=C(C2)C(OCC(O)=O)=CC=C1 12594 46504572 PA164768801 DAP001214 Treprostinil CHEMBL1237119 343048 DB00374 Treprostinil BE0000110 P2RY12 Q9H244 P2Y12_HUMAN agonist 30485728 "Bacha NC, Levy M, Guerin CL, Le Bonniec B, Harroche A, Szezepanski I, Renard JM, Gaussem P, Israel-Biet D, Boulanger CM, Smadja DM: Treprostinil treatment decreases circulating platelet microvesicles and their procoagulant activity in pediatric pulmonary hypertension. Pediatr Pulmonol. 2019 Jan;54(1):66-72. doi: 10.1002/ppul.24190. Epub 2018 Nov 28." Approved; Investigational Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives "Inflammation Mediators; QTc Prolonging Agents; Vasodilation; Antihypertensive Agents; Eicosanoids; Prostacycline Vasodilator; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Platelet Aggregation Inhibitors Excl. Heparin; Fatty Acids; Prostacyclin Analogues; Potential QTc-Prolonging Agents; Biological Factors; Blood and Blood Forming Organs; Vasodilating Agents; Lipids; Prostaglandins I; Cytochrome P-450 CYP2C9 Substrates; Prostaglandins; Autacoids; Fatty Acids, Unsaturated" [H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC1=C(C2)C(OCC(O)=O)=CC=C1 12594 46504572 PA164768801 DAP001214 Treprostinil CHEMBL1237119 343048 DB00376 Trihexyphenidyl BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 1635586; 1994002; 3208836 "Bognar IT, Altes U, Beinhauer C, Kessler I, Fuder H: A muscarinic receptor different from the M1, M2, M3 and M4 subtypes mediates the contraction of the rabbit iris sphincter. Naunyn Schmiedebergs Arch Pharmacol. 1992 Jun;345(6):611-8.@@Dorje F, Wess J, Lambrecht G, Tacke R, Mutschler E, Brann MR: Antagonist binding profiles of five cloned human muscarinic receptor subtypes. J Pharmacol Exp Ther. 1991 Feb;256(2):727-33.@@Freedman SB, Beer MS, Harley EA: Muscarinic M1, M2 receptor binding. Relationship with functional efficacy. Eur J Pharmacol. 1988 Oct 26;156(1):133-42." Approved Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines Anticholinergic Agents; Muscarinic Antagonists; Piperidines; Anti-Parkinson Drugs; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Tertiary Amines; Agents producing tachycardia; Cholinergic Agents; Anti-Dyskinesia Agents OC(CCN1CCCCC1)(C1CCCCC1)C1=CC=CC=C1 9845 46507717 D08638 PA164747026 DAP001532 Trihexyphenidyl CHEMBL1490 10811 DB00376 Trihexyphenidyl BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 1635586; 1994002; 3208836 "Bognar IT, Altes U, Beinhauer C, Kessler I, Fuder H: A muscarinic receptor different from the M1, M2, M3 and M4 subtypes mediates the contraction of the rabbit iris sphincter. Naunyn Schmiedebergs Arch Pharmacol. 1992 Jun;345(6):611-8.@@Dorje F, Wess J, Lambrecht G, Tacke R, Mutschler E, Brann MR: Antagonist binding profiles of five cloned human muscarinic receptor subtypes. J Pharmacol Exp Ther. 1991 Feb;256(2):727-33.@@Freedman SB, Beer MS, Harley EA: Muscarinic M1, M2 receptor binding. Relationship with functional efficacy. Eur J Pharmacol. 1988 Oct 26;156(1):133-42." Approved Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines Anticholinergic Agents; Muscarinic Antagonists; Piperidines; Anti-Parkinson Drugs; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Tertiary Amines; Agents producing tachycardia; Cholinergic Agents; Anti-Dyskinesia Agents OC(CCN1CCCCC1)(C1CCCCC1)C1=CC=CC=C1 9845 46507717 D08638 PA164747026 DAP001532 Trihexyphenidyl CHEMBL1490 10811 DB00376 Trihexyphenidyl BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 1635586; 1994002 "Bognar IT, Altes U, Beinhauer C, Kessler I, Fuder H: A muscarinic receptor different from the M1, M2, M3 and M4 subtypes mediates the contraction of the rabbit iris sphincter. Naunyn Schmiedebergs Arch Pharmacol. 1992 Jun;345(6):611-8.@@Dorje F, Wess J, Lambrecht G, Tacke R, Mutschler E, Brann MR: Antagonist binding profiles of five cloned human muscarinic receptor subtypes. J Pharmacol Exp Ther. 1991 Feb;256(2):727-33." Approved Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines Anticholinergic Agents; Muscarinic Antagonists; Piperidines; Anti-Parkinson Drugs; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Tertiary Amines; Agents producing tachycardia; Cholinergic Agents; Anti-Dyskinesia Agents OC(CCN1CCCCC1)(C1CCCCC1)C1=CC=CC=C1 9845 46507717 D08638 PA164747026 DAP001532 Trihexyphenidyl CHEMBL1490 10811 DB00378 Dydrogesterone BE0000557 PGR P06401 PRGR_HUMAN agonist 15128769; 6827166; 16045524; 8486204; 436795; 11752352 "Blois SM, Joachim R, Kandil J, Margni R, Tometten M, Klapp BF, Arck PC: Depletion of CD8+ cells abolishes the pregnancy protective effect of progesterone substitution with dydrogesterone in mice by altering the Th1/Th2 cytokine profile. J Immunol. 2004 May 15;172(10):5893-9.@@Tamaya T, Tsurusaki T, Ide N, Yamada T, Murakami T, Wada K, Fujimoto Z, Okada H: Nuclear translocation of progesterone receptor--progestogen complex in vitro. Nihon Sanka Fujinka Gakkai Zasshi. 1983 Jan;35(1):77-82.@@Raghupathy R, Al Mutawa E, Makhseed M, Azizieh F, Szekeres-Bartho J: Modulation of cytokine production by dydrogesterone in lymphocytes from women with recurrent miscarriage. BJOG. 2005 Aug;112(8):1096-101.@@Okada H: [Metabolism, structure and biological activity of sex steroids]. Nihon Naibunpi Gakkai Zasshi. 1993 Feb 20;69(2):67-79.@@Tamaya T, Furuta N, Ohono Y, Ide N, Tsurusaki T, Okada H: Chromatin transcription by progesterone-receptor complex in rabbit uterus. Endocrinol Jpn. 1979 Feb;26(1):117-22.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Withdrawn "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Pregnadien Derivatives; Cytochrome P-450 CYP3A Substrates; Progestogens and Estrogens, Sequential Preparations; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Pregnadienes; Cytochrome P-450 CYP3A4 Substrates; Steroids; Progestins; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@@]12C 46506195 D01217 PA164745443 DAP001205 Dydrogesterone CHEMBL1200853 3706 DB00379 Mexiletine BE0003721 AHR P35869 AHR_HUMAN agonist 17327465 "Hu W, Sorrentino C, Denison MS, Kolaja K, Fielden MR: Induction of cyp1a1 is a nonspecific biomarker of aryl hydrocarbon receptor activation: results of large scale screening of pharmaceuticals and toxicants in vivo and in vitro. Mol Pharmacol. 2007 Jun;71(6):1475-86. Epub 2007 Feb 27." Approved; Investigational Phenol ethers Organic compounds; Benzenoids; Phenol ethers "Sodium Channel Blockers; Amines; Antiarrhythmics, Class Ib; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP1A2 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; Phenyl Ethers; Antiarrhythmic agents; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Antiarrhythmics, Class I; Cytochrome P-450 CYP1A2 Substrates; Propylamines" CC(N)COC1=C(C)C=CC=C1C Mexiletine Action Pathway drug_action 1901 46505491 PA450488 DAP000505 Mexiletine CHEMBL558 6926 DB00380 Dexrazoxane BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 10194547; 11179439; 11332155; 11984069; 12911317; 11752352; 17652819; 17115008; 11046078 "Hasinoff BB, Chee GL, Thampatty P, Allan WP, Yalowich JC: The cardioprotective and DNA topoisomerase II inhibitory agent dexrazoxane (ICRF-187) antagonizes camptothecin-mediated growth inhibition of Chinese hamster ovary cells by inhibition of DNA synthesis. Anticancer Drugs. 1999 Jan;10(1):47-54.@@Hasinoff BB, Abram ME, Barnabe N, Khelifa T, Allan WP, Yalowich JC: The catalytic DNA topoisomerase II inhibitor dexrazoxane (ICRF-187) induces differentiation and apoptosis in human leukemia K562 cells. Mol Pharmacol. 2001 Mar;59(3):453-61.@@Langer SW, Sehested M, Jensen PB: Dexrazoxane is a potent and specific inhibitor of anthracycline induced subcutaneous lesions in mice. Ann Oncol. 2001 Mar;12(3):405-10.@@Hasinoff BB, Takeda K, Ferrans VJ, Yu ZX: The doxorubicin cardioprotective agent dexrazoxane (ICRF-187) induces endopolyploidy in rat neonatal myocytes through inhibition of DNA topoisomerase II. Anticancer Drugs. 2002 Mar;13(3):255-8.@@Renodon-Corniere A, Jensen LH, Nitiss JL, Jensen PB, Sehested M: Analysis of bisdioxopiperazine dexrazoxane binding to human DNA topoisomerase II alpha: decreased binding as a mechanism of drug resistance. Biochemistry. 2003 Aug 19;42(32):9749-54.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Hasinoff BB, Herman EH: Dexrazoxane: how it works in cardiac and tumor cells. Is it a prodrug or is it a drug? Cardiovasc Toxicol. 2007;7(2):140-4.@@Kik K, Szmigiero L: [Dexrazoxane (ICRF-187)--a cardioprotectant and modulator of action of some anticancer drugs]. Postepy Hig Med Dosw (Online). 2006;60:584-90.@@Hasinoff BB, Abram ME, Chee GL, Huebner E, Byard EH, Barnabe N, Ferrans VJ, Yu ZX, Yalowich JC: The catalytic DNA topoisomerase II inhibitor dexrazoxane (ICRF-187) induces endopolyploidy in Chinese hamster ovary cells. J Pharmacol Exp Ther. 2000 Nov;295(2):474-83." Approved; Withdrawn Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Cardiovascular Agents; Immunosuppressive Agents; Myelosuppressive Agents; Topoisomerase II Inhibitors; Miscellaneous Therapeutic Agents; Piperazines; Enzyme Inhibitors; Diketopiperazines; Topoisomerase Inhibitors; Protective Agents; Cardiotonic Agents; Cytoprotective Agent; Detoxifying Agents for Antineoplastic Treatment; Drugs that are Mainly Renally Excreted; Compounds used in a research, industrial, or household setting" C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1 215 46505982 D03730 PA449259 DAP000649 Dexrazoxane CHEMBL1738 42736 DB00380 Dexrazoxane BE0002425 TOP2B Q02880 TOP2B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Withdrawn Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Cardiovascular Agents; Immunosuppressive Agents; Myelosuppressive Agents; Topoisomerase II Inhibitors; Miscellaneous Therapeutic Agents; Piperazines; Enzyme Inhibitors; Diketopiperazines; Topoisomerase Inhibitors; Protective Agents; Cardiotonic Agents; Cytoprotective Agent; Detoxifying Agents for Antineoplastic Treatment; Drugs that are Mainly Renally Excreted; Compounds used in a research, industrial, or household setting" C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1 215 46505982 D03730 PA449259 DAP000649 Dexrazoxane CHEMBL1738 42736 DB00381 Amlodipine BE0000430 CACNA1C Q13936 CAC1C_HUMAN inhibitor 16322774; 27556947 "Bodi I, Mikala G, Koch SE, Akhter SA, Schwartz A: The L-type calcium channel in the heart: the beat goes on. J Clin Invest. 2005 Dec;115(12):3306-17. doi: 10.1172/JCI27167.@@Tang L, Gamal El-Din TM, Swanson TM, Pryde DC, Scheuer T, Zheng N, Catterall WA: Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs. Nature. 2016 Sep 1;537(7618):117-121. doi: 10.1038/nature19102. Epub 2016 Aug 24." Approved Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Angiotensin II receptor blockers (ARBs) and calcium channel blockers; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Antianginal Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown) CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC Amlodipine Action Pathway drug_action 11344 46507214 D07450 PA448388 DAP000139 Amlodipine CHEMBL1491 17767 DB00381 Amlodipine BE0000012 CACNA1I Q9P0X4 CAC1I_HUMAN inhibitor 21910984; 25966690; 10367100; 19823601 "Lin M, Aladejebi O, Hockerman GH: Distinct properties of amlodipine and nicardipine block of the voltage-dependent Ca2+ channels Cav1.2 and Cav2.1 and the mutant channels Cav1.2/dihydropyridine insensitive and Cav2.1/dihydropyridine sensitive. Eur J Pharmacol. 2011 Nov 16;670(1):105-13. doi: 10.1016/j.ejphar.2011.08.005. Epub 2011 Sep 2.@@Striessnig J, Ortner NJ, Pinggera A: Pharmacology of L-type Calcium Channels: Novel Drugs for Old Targets? Curr Mol Pharmacol. 2015;8(2):110-22.@@Inoue Y, Hisatome I, Tsuboi M, Ahmmed GU, Yatsuhashi T, Uchida K, Yamanouchi Y, Santo Y, Miake J, Tanaka Y, Hamada T, Watanabe M, Igawa O, Yoshida A, Shigemasa C, Makita N, Sato R: Effects of amlodipine on native cardiac Na+ channels and cloned alpha-subunits of cardiac Na+ channels. Arzneimittelforschung. 1999 May;49(5):394-7. doi: 10.1055/s-0031-1300433.@@Ozawa Y, Hayashi K, Kobori H: New Generation Calcium Channel Blockers in Hypertensive Treatment. Curr Hypertens Rev. 2006 May 1;2(2):103-111. doi: 10.2174/157340206776877370." Approved Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Angiotensin II receptor blockers (ARBs) and calcium channel blockers; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Antianginal Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown) CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC Amlodipine Action Pathway drug_action 11344 46507214 D07450 PA448388 DAP000139 Amlodipine CHEMBL1491 17767 DB00381 Amlodipine BE0002226 CACNA1B Q00975 CAC1B_HUMAN inhibitor 9249249; 10525060; 20097194; 11426839; 19634509; 10374627 "Furukawa T, Nukada T, Suzuki K, Fujita Y, Mori Y, Nishimura M, Yamanaka M: Voltage and pH dependent block of cloned N-type Ca2+ channels by amlodipine. Br J Pharmacol. 1997 Jul;121(6):1136-40.@@Furukawa T, Yamakawa T, Midera T, Sagawa T, Mori Y, Nukada T: Selectivities of dihydropyridine derivatives in blocking Ca(2+) channel subtypes expressed in Xenopus oocytes. J Pharmacol Exp Ther. 1999 Nov;291(2):464-73.@@Miyashita Y, Furukawa T, Kamegaya E, Yoshii M, Nukada T: A region of N-type Ca(2+) channel critical for blockade by the dihydropyridine amlodipine. Eur J Pharmacol. 2010 Apr 25;632(1-3):14-22. doi: 10.1016/j.ejphar.2010.01.006. Epub 2010 Jan 22.@@Murakami M, Nakagawasai O, Fujii S, Kameyama K, Murakami S, Hozumi S, Esashi A, Taniguchi R, Yanagisawa T, Tan-no K, Tadano T, Kitamura K, Kisara K: Antinociceptive action of amlodipine blocking N-type Ca2+ channels at the primary afferent neurons in mice. Eur J Pharmacol. 2001 May 11;419(2-3):175-81.@@Ogihara T, Kano T, Kakinuma C: Evaluation of the inhibitory effect of dihydropyridines on N-type calcium channel by virtual three-dimensional pharmacophore modeling. Arzneimittelforschung. 2009;59(6):283-8. doi: 10.1055/s-0031-1296398.@@Qu YL, Sugiyama K, Ohnuki T, Hattori K, Watanabe K, Nagatomo T: Comparison of binding affinities of omega-conotoxin and amlodipine to N-type Ca2+ channels in rat brain. Zhongguo Yao Li Xue Bao. 1998 Mar;19(2):97-100." Approved Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Angiotensin II receptor blockers (ARBs) and calcium channel blockers; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Antianginal Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown) CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC Amlodipine Action Pathway drug_action 11344 46507214 D07450 PA448388 DAP000139 Amlodipine CHEMBL1491 17767 DB00381 Amlodipine BE0003563 CACNA2D3 Q8IZS8 CA2D3_HUMAN inhibitor 9249249; 10525060; 20097194; 11426839; 19634509; 10374627 "Furukawa T, Nukada T, Suzuki K, Fujita Y, Mori Y, Nishimura M, Yamanaka M: Voltage and pH dependent block of cloned N-type Ca2+ channels by amlodipine. Br J Pharmacol. 1997 Jul;121(6):1136-40.@@Furukawa T, Yamakawa T, Midera T, Sagawa T, Mori Y, Nukada T: Selectivities of dihydropyridine derivatives in blocking Ca(2+) channel subtypes expressed in Xenopus oocytes. J Pharmacol Exp Ther. 1999 Nov;291(2):464-73.@@Miyashita Y, Furukawa T, Kamegaya E, Yoshii M, Nukada T: A region of N-type Ca(2+) channel critical for blockade by the dihydropyridine amlodipine. Eur J Pharmacol. 2010 Apr 25;632(1-3):14-22. doi: 10.1016/j.ejphar.2010.01.006. Epub 2010 Jan 22.@@Murakami M, Nakagawasai O, Fujii S, Kameyama K, Murakami S, Hozumi S, Esashi A, Taniguchi R, Yanagisawa T, Tan-no K, Tadano T, Kitamura K, Kisara K: Antinociceptive action of amlodipine blocking N-type Ca2+ channels at the primary afferent neurons in mice. Eur J Pharmacol. 2001 May 11;419(2-3):175-81.@@Ogihara T, Kano T, Kakinuma C: Evaluation of the inhibitory effect of dihydropyridines on N-type calcium channel by virtual three-dimensional pharmacophore modeling. Arzneimittelforschung. 2009;59(6):283-8. doi: 10.1055/s-0031-1296398.@@Qu YL, Sugiyama K, Ohnuki T, Hattori K, Watanabe K, Nagatomo T: Comparison of binding affinities of omega-conotoxin and amlodipine to N-type Ca2+ channels in rat brain. Zhongguo Yao Li Xue Bao. 1998 Mar;19(2):97-100." Approved Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Angiotensin II receptor blockers (ARBs) and calcium channel blockers; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Antianginal Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown) CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC Amlodipine Action Pathway drug_action 11344 46507214 D07450 PA448388 DAP000139 Amlodipine CHEMBL1491 17767 DB00381 Amlodipine BE0009351 CACNA1B Q00975 CAC1B_HUMAN inhibitor 20097194; 28611661; 9249249 "Miyashita Y, Furukawa T, Kamegaya E, Yoshii M, Nukada T: A region of N-type Ca(2+) channel critical for blockade by the dihydropyridine amlodipine. Eur J Pharmacol. 2010 Apr 25;632(1-3):14-22. doi: 10.1016/j.ejphar.2010.01.006. Epub 2010 Jan 22.@@Godfraind T: Discovery and Development of Calcium Channel Blockers. Front Pharmacol. 2017 May 29;8:286. doi: 10.3389/fphar.2017.00286. eCollection 2017.@@Furukawa T, Nukada T, Suzuki K, Fujita Y, Mori Y, Nishimura M, Yamanaka M: Voltage and pH dependent block of cloned N-type Ca2+ channels by amlodipine. Br J Pharmacol. 1997 Jul;121(6):1136-40." Approved Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Angiotensin II receptor blockers (ARBs) and calcium channel blockers; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Antianginal Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown) CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC Amlodipine Action Pathway drug_action 11344 46507214 D07450 PA448388 DAP000139 Amlodipine CHEMBL1491 17767 DB00382 Tacrine BE0002180 BCHE P06276 CHLE_HUMAN inhibitor 10375753; 17218977; 12871155; 16860785 "Wang H, Tang XC: Anticholinesterase effects of huperzine A, E2020, and tacrine in rats. Zhongguo Yao Li Xue Bao. 1998 Jan;19(1):27-30.@@Krustev AD, Argirova MD, Getova DP, Turiiski VI, Prissadova NA: Calcium-independent tacrine-induced relaxation of rat gastric corpus smooth muscles. Can J Physiol Pharmacol. 2006 Nov;84(11):1133-8.@@Marco JL, Carreiras MC: Recent developments in the synthesis of acetylcholinesterase inhibitors. Mini Rev Med Chem. 2003 Sep;3(6):518-24.@@Ahmed M, Rocha JB, Correa M, Mazzanti CM, Zanin RF, Morsch AL, Morsch VM, Schetinger MR: Inhibition of two different cholinesterases by tacrine. Chem Biol Interact. 2006 Aug 25;162(2):165-71. Epub 2006 Jun 17." Approved; Investigational; Withdrawn Acridines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines "Enzyme Inhibitors; Cholinergic Agents; Anti-Dementia Drugs; Autonomic Agents; Aminoacridines; Cytochrome P-450 Substrates; Psychoanaleptics; P-glycoprotein substrates; Parasympathomimetics; Agents Causing Muscle Toxicity; Heterocyclic Compounds, Fused-Ring; Acridines; Peripheral Nervous System Agents; Nootropic Agents; Central Nervous System Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates" NC1=C2CCCCC2=NC2=CC=CC=C12 46505487 D08555 PA451576 DAP000558 Tacrine CHEMBL95 10318 DB00383 Oxyphencyclimine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 17139284; 17016423; 1426023; 3247303 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Waelbroeck M, Camus J, Tastenoy M, Mutschler E, Strohmann C, Tacke R, Schjelderup L, Aasen A, Lambrecht G, Christophe J: Stereoselective interaction of procyclidine, hexahydro-difenidol, hexbutinol and oxyphencyclimine, and of related antagonists, with four muscarinic receptors. Eur J Pharmacol. 1992 Sep 1;227(1):33-42.@@Schjelderup L, Kozlowski MR, Weissman A, Aasen AJ: Antimuscarinic effects of (R)- and (S)- oxyphencyclimine hydrochloride. Pharm Res. 1988 Apr;5(4):236-7." Approved Hydropyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Anticholinergic Agents; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Agents producing tachycardia; Alimentary Tract and Metabolism" CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1 46507487 D08325 PA164776910 DAP000835 Oxyphencyclimine CHEMBL1495 32698 DB00383 Oxyphencyclimine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 17139284; 17016423; 1426023; 3247303 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Waelbroeck M, Camus J, Tastenoy M, Mutschler E, Strohmann C, Tacke R, Schjelderup L, Aasen A, Lambrecht G, Christophe J: Stereoselective interaction of procyclidine, hexahydro-difenidol, hexbutinol and oxyphencyclimine, and of related antagonists, with four muscarinic receptors. Eur J Pharmacol. 1992 Sep 1;227(1):33-42.@@Schjelderup L, Kozlowski MR, Weissman A, Aasen AJ: Antimuscarinic effects of (R)- and (S)- oxyphencyclimine hydrochloride. Pharm Res. 1988 Apr;5(4):236-7." Approved Hydropyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Anticholinergic Agents; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Agents producing tachycardia; Alimentary Tract and Metabolism" CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1 46507487 D08325 PA164776910 DAP000835 Oxyphencyclimine CHEMBL1495 32698 DB00384 Triamterene BE0000190 SCNN1A P37088 SCNNA_HUMAN inhibitor 17139284; 17016423; 8772124; 11509829; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Busch AE, Suessbrich H, Kunzelmann K, Hipper A, Greger R, Waldegger S, Mutschler E, Lindemann B, Lang F: Blockade of epithelial Na+ channels by triamterenes - underlying mechanisms and molecular basis. Pflugers Arch. 1996 Sep;432(5):760-6.@@Wagner CA, Ott M, Klingel K, Beck S, Melzig J, Friedrich B, Wild KN, Broer S, Moschen I, Albers A, Waldegger S, Tummler B, Egan ME, Geibel JP, Kandolf R, Lang F: Effects of the serine/threonine kinase SGK1 on the epithelial Na(+) channel (ENaC) and CFTR: implications for cystic fibrosis. Cell Physiol Biochem. 2001;11(4):209-18.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Pteridines and derivatives Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives "Sodium Channel Blockers; Nephrotoxic agents; Epithelial Sodium Channel Blockers; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Photosensitizing Agents; Membrane Transport Modulators; Decreased Renal K+ Excretion; Heterocyclic Compounds, Fused-Ring; Potassium-Sparing Diuretics; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; Pteridines; Increased Diuresis; Cytochrome P-450 CYP1A2 Substrates" NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1 Triamterene Action Pathway drug_action 10190 46507623 D00386 PA451752 DAP000575 Triamterene CHEMBL585 10763 DB00384 Triamterene BE0000024 SCNN1B P51168 SCNNB_HUMAN inhibitor 17139284; 17016423; 8772124; 11509829 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Busch AE, Suessbrich H, Kunzelmann K, Hipper A, Greger R, Waldegger S, Mutschler E, Lindemann B, Lang F: Blockade of epithelial Na+ channels by triamterenes - underlying mechanisms and molecular basis. Pflugers Arch. 1996 Sep;432(5):760-6.@@Wagner CA, Ott M, Klingel K, Beck S, Melzig J, Friedrich B, Wild KN, Broer S, Moschen I, Albers A, Waldegger S, Tummler B, Egan ME, Geibel JP, Kandolf R, Lang F: Effects of the serine/threonine kinase SGK1 on the epithelial Na(+) channel (ENaC) and CFTR: implications for cystic fibrosis. Cell Physiol Biochem. 2001;11(4):209-18." Approved Pteridines and derivatives Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives "Sodium Channel Blockers; Nephrotoxic agents; Epithelial Sodium Channel Blockers; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Photosensitizing Agents; Membrane Transport Modulators; Decreased Renal K+ Excretion; Heterocyclic Compounds, Fused-Ring; Potassium-Sparing Diuretics; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; Pteridines; Increased Diuresis; Cytochrome P-450 CYP1A2 Substrates" NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1 Triamterene Action Pathway drug_action 10190 46507623 D00386 PA451752 DAP000575 Triamterene CHEMBL585 10763 DB00385 Valrubicin BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 11752352; 16019763 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Perabo FG, Muller SC: New agents in intravesical chemotherapy of superficial bladder cancer. Scand J Urol Nephrol. 2005;39(2):108-16." Approved Anthracyclines Organic compounds; Phenylpropanoids and polyketides; Anthracyclines Cytotoxic Antibiotics and Related Substances; Antineoplastic and Immunomodulating Agents; Topoisomerase II Inhibitors; Glycosides; Anthracyclines; Enzyme Inhibitors; Anthracycline Topoisomerase Inhibitor; Carbohydrates; Topoisomerase Inhibitors; Naphthacenes; Anthracyclines and Related Substances; Antineoplastic Agents [H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(OC)C=CC=C1C3=O)C(=O)COC(=O)CCCC)O[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O1 12002 46506642 PA164748616 DAP000650 Valrubicin CHEMBL1096885 31435 DB00387 Procyclidine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 20624420; 1426023 "Myhrer T: Identification of neuronal target areas for nerve agents and specification of receptors for pharmacological treatment. Neurotoxicology. 2010 Dec;31(6):629-38. doi: 10.1016/j.neuro.2010.07.002. Epub 2010 Jul 17.@@Waelbroeck M, Camus J, Tastenoy M, Mutschler E, Strohmann C, Tacke R, Schjelderup L, Aasen A, Lambrecht G, Christophe J: Stereoselective interaction of procyclidine, hexahydro-difenidol, hexbutinol and oxyphencyclimine, and of related antagonists, with four muscarinic receptors. Eur J Pharmacol. 1992 Sep 1;227(1):33-42." Approved Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines Anticholinergic Agents; Muscarinic Antagonists; Pyrrolidines; Anti-Parkinson Drugs; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Tertiary Amines; Agents producing tachycardia; Cholinergic Agents; Anti-Dyskinesia Agents OC(CCN1CCCC1)(C1CCCCC1)C1=CC=CC=C1 6030 46505553 D08425 PA164784001 DAP001110 Procyclidine CHEMBL86715 8718 DB00387 Procyclidine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 17139284; 17016423; 2027917; 2253700; 20624420; 1426023 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Larson EW, Pfenning MA, Richelson E: Selectivity of antimuscarinic compounds for muscarinic receptors of human brain and heart. Psychopharmacology (Berl). 1991;103(2):162-5.@@Waelbroeck M, Camus J, Tastenoy M, Lambrecht G, Mutschler E, Tacke R, Christophe J: Stereoselectivity of procyclidine binding to muscarinic receptor subtypes M1, M2 and M4. Eur J Pharmacol. 1990 Sep 18;189(2-3):135-42.@@Myhrer T: Identification of neuronal target areas for nerve agents and specification of receptors for pharmacological treatment. Neurotoxicology. 2010 Dec;31(6):629-38. doi: 10.1016/j.neuro.2010.07.002. Epub 2010 Jul 17.@@Waelbroeck M, Camus J, Tastenoy M, Mutschler E, Strohmann C, Tacke R, Schjelderup L, Aasen A, Lambrecht G, Christophe J: Stereoselective interaction of procyclidine, hexahydro-difenidol, hexbutinol and oxyphencyclimine, and of related antagonists, with four muscarinic receptors. Eur J Pharmacol. 1992 Sep 1;227(1):33-42." Approved Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines Anticholinergic Agents; Muscarinic Antagonists; Pyrrolidines; Anti-Parkinson Drugs; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Tertiary Amines; Agents producing tachycardia; Cholinergic Agents; Anti-Dyskinesia Agents OC(CCN1CCCC1)(C1CCCCC1)C1=CC=CC=C1 6030 46505553 D08425 PA164784001 DAP001110 Procyclidine CHEMBL86715 8718 DB00388 Phenylephrine BE0000715 ADRA1D P25100 ADA1D_HUMAN agonist Approved 1-hydroxy-4-unsubstituted benzenoids Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids "Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Nasal Decongestants; Agents producing tachycardia; Autonomic Agents; Sympathomimetics Used as Decongestants; Amino Alcohols; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cardiac Stimulants Excl. Cardiac Glycosides; Alcohols; Vasoconstrictor Agents; Nasal Preparations; Cardiotonic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Adrenergic Agonists; Mydriatics and Cycloplegics; Sympathomimetic (Adrenergic) Agents; Mydriatics; Nasal Decongestants for Systemic Use; Sympathomimetics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Compounds used in a research, industrial, or household setting; Ophthalmologicals; Decongestants and Antiallergics; Cardiac Therapy; Monoamine Oxidase A Substrates; Sympathomimetics Excl. Antiglaucoma Preparations; Neurotransmitter Agents; Sympathomimetics, Plain; Ethanolamines; Adrenergic Agents; Sensory Organs" CNC[C@H](O)C1=CC(O)=CC=C1 6500 46506961 D08365 PA450935 DAP000224 Phenylephrine CHEMBL1215 8163 DB00390 Digoxin BE0000732 ATP1A1 P05023 AT1A1_HUMAN inhibitor 11272406; 11309248; 11324464; 11515751; 11687608 "Ravikumar A, Arun P, Devi KV, Augustine J, Kurup PA: Isoprenoid pathway and free radical generation and damage in neuropsychiatric disorders. Indian J Exp Biol. 2000 May;38(5):438-46.@@Chen JJ, Wang PS, Chien EJ, Wang SW: Direct inhibitory effect of digitalis on progesterone release from rat granulosa cells. Br J Pharmacol. 2001 Apr;132(8):1761-8.@@Ke YS, Liu ZF, Yang H, Yang T, Huang JS, Rui SB, Cheng GH, Wang YX: Effect of anti-digoxin antiserum on endoxin and membrane ATPase activity in hypoxia-reoxygenation induced myocardial injury. Acta Pharmacol Sin. 2000 Apr;21(4):345-7.@@Kumar AR, Kurup PA: A hypothalamic digoxin mediated model for conscious and subliminal perception. J Neural Transm (Vienna). 2001;108(7):855-68.@@Aizman O, Uhlen P, Lal M, Brismar H, Aperia A: Ouabain, a steroid hormone that signals with slow calcium oscillations. Proc Natl Acad Sci U S A. 2001 Nov 6;98(23):13420-4. Epub 2001 Oct 30." Approved Cardenolide glycosides and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones "OATP1B1/SLCO1B1 Inhibitors; Digoxin, immunology; Digoxin and derivatives; Glycosides; QTc Prolonging Agents; Carbohydrates; Protective Agents; OATP1B1/SLCO1B1 Substrates; Cardiac Glycosides; P-glycoprotein inducers; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cardiovascular Agents; Agents causing hyperkalemia; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; P-glycoprotein substrates; Cardiotonic Agents; P-glycoprotein inhibitors; Fused-Ring Compounds; Potential QTc-Prolonging Agents; Cardanolides; Digitalis Glycosides; P-glycoprotein substrates with a Narrow Therapeutic Index; Cardenolides; BSEP/ABCB11 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Cardiac Therapy; Bradycardia-Causing Agents; Narrow Therapeutic Index Drugs" [H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 6731 46508524 D00298 PA449319 DAP000744 Digoxin CHEMBL1751 3407 DB00391 Sulpiride BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 19795811; 18973551 "Lipina TV, Vishnivetskaia GB: [Effect of sulpiride on immobility reflex and pinch-induced catalepsy in CBA/Lac male mice with various social status]. Zh Vyssh Nerv Deiat Im I P Pavlova. 2009 Jul-Aug;59(4):482-7.@@Collo G, Zanetti S, Missale C, Spano P: Dopamine D3 receptor-preferring agonists increase dendrite arborization of mesencephalic dopaminergic neurons via extracellular signal-regulated kinase phosphorylation. Eur J Neurosci. 2008 Oct;28(7):1231-40. doi: 10.1111/j.1460-9568.2008.06423.x." Approved; Investigational Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides "MATE 1 Substrates; MATE 2 Substrates; QTc Prolonging Agents; Amides; Benzene Derivatives; Antidepressive Agents; OCT2 Substrates; OCT1 substrates; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; BCRP/ABCG2 Substrates; Acids, Carbocyclic; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; MATE substrates; Antidepressive Agents, Second-Generation; Dopamine Agents" CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O 46504855 D01226 PA164745485 DAP000310 Sulpiride CHEMBL26 10239 DB00391 Sulpiride BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 17826101 "Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25." Approved; Investigational Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides "MATE 1 Substrates; MATE 2 Substrates; QTc Prolonging Agents; Amides; Benzene Derivatives; Antidepressive Agents; OCT2 Substrates; OCT1 substrates; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; BCRP/ABCG2 Substrates; Acids, Carbocyclic; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; MATE substrates; Antidepressive Agents, Second-Generation; Dopamine Agents" CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O 46504855 D01226 PA164745485 DAP000310 Sulpiride CHEMBL26 10239 DB00391 Sulpiride BE0003625 CA3 P07451 CAH3_HUMAN inhibitor 17826101 "Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25." Approved; Investigational Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides "MATE 1 Substrates; MATE 2 Substrates; QTc Prolonging Agents; Amides; Benzene Derivatives; Antidepressive Agents; OCT2 Substrates; OCT1 substrates; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; BCRP/ABCG2 Substrates; Acids, Carbocyclic; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; MATE substrates; Antidepressive Agents, Second-Generation; Dopamine Agents" CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O 46504855 D01226 PA164745485 DAP000310 Sulpiride CHEMBL26 10239 DB00392 Profenamine BE0000641 GRIN3A Q8TCU5 NMD3A_HUMAN antagonist 17139284; 17016423; 12681372; 2849655 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Jevtovic-Todorovic V, Meyenburg AP, Olney JW, Wozniak DF: Anti-parkinsonian agents procyclidine and ethopropazine alleviate thermal hyperalgesia in neuropathic rats. Neuropharmacology. 2003 May;44(6):739-48.@@Reynolds IJ, Miller RJ: [3H]MK801 binding to the N-methyl-D-aspartate receptor reveals drug interactions with the zinc and magnesium binding sites. J Pharmacol Exp Ther. 1988 Dec;247(3):1025-31." Approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Anticholinergic Agents; Muscarinic Antagonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Adrenergic Antagonists; Cholinesterase Inhibitors; Neurotransmitter Agents; Nervous System; Histamine Agents; Sulfur Compounds; Agents producing tachycardia; Cholinergic Agents; Adrenergic Agents; Tertiary Amines; NMDA Receptor Antagonists" CCN(CC)C(C)CN1C2=CC=CC=C2SC2=CC=CC=C12 7948 46507375 D01118 PA449531 DAP001119 Profenamine CHEMBL1206 4134 DB00392 Profenamine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 2904117; 2236897 "Burke RE: The relative selectivity of anticholinergic drugs for the M1 and M2 muscarinic receptor subtypes. Mov Disord. 1986;1(2):135-44.@@Katayama S, Ishizaki F, Yamamura Y, Khoriyama T, Kito S: Effects of anticholinergic antiparkinsonian drugs on binding of muscarinic receptor subtypes in rat brain. Res Commun Chem Pathol Pharmacol. 1990 Sep;69(3):261-70." Approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Anticholinergic Agents; Muscarinic Antagonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Adrenergic Antagonists; Cholinesterase Inhibitors; Neurotransmitter Agents; Nervous System; Histamine Agents; Sulfur Compounds; Agents producing tachycardia; Cholinergic Agents; Adrenergic Agents; Tertiary Amines; NMDA Receptor Antagonists" CCN(CC)C(C)CN1C2=CC=CC=C2SC2=CC=CC=C12 7948 46507375 D01118 PA449531 DAP001119 Profenamine CHEMBL1206 4134 DB00393 Nimodipine BE0000430 CACNA1C Q13936 CAC1C_HUMAN inhibitor 11752352; 8731425; 20334460; 20335610; 19844625; 20661350; 17705883 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Marchetti C, Usai C: High affinity block by nimodipine of the internal calcium elevation in chronically depolarized rat cerebellar granule neurons. Neurosci Lett. 1996 Mar 29;207(2):77-80.@@Weant KA, Ramsey CN 3rd, Cook AM: Role of intraarterial therapy for cerebral vasospasm secondary to aneurysmal subarachnoid hemorrhage. Pharmacotherapy. 2010 Apr;30(4):405-17. doi: 10.1592/phco.30.4.405.@@Dong CJ, Guo Y, Agey P, Wheeler L, Hare WA: Nimodipine enhancement of alpha2 adrenergic modulation of NMDA receptor via a mechanism independent of Ca2+ channel blocking. Invest Ophthalmol Vis Sci. 2010 Aug;51(8):4174-80. doi: 10.1167/iovs.09-4613. Epub 2010 Mar 24.@@Kim JH, Park IS, Park KB, Kang DH, Hwang SH: Intraarterial nimodipine infusion to treat symptomatic cerebral vasospasm after aneurysmal subarachnoid hemorrhage. J Korean Neurosurg Soc. 2009 Sep;46(3):239-44. doi: 10.3340/jkns.2009.46.3.239. Epub 2009 Sep 30.@@Kumar R, Mehra R, Ray SB: L-type calcium channel blockers, morphine and pain: Newer insights. Indian J Anaesth. 2010 Mar;54(2):127-31. doi: 10.4103/0019-5049.63652.@@Keyrouz SG, Diringer MN: Clinical review: Prevention and therapy of vasospasm in subarachnoid hemorrhage. Crit Care. 2007;11(4):220." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Nicotinic Acids; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C Nimodipine Action Pathway drug_action 1910 46508497 D00438 PA450633 DAP000306 Nimodipine CHEMBL1428 7426 DB00393 Nimodipine BE0002359 CACNA1D Q01668 CAC1D_HUMAN inhibitor 19029287; 20334460; 20335610; 19844625; 20661350; 17705883 "Sinnegger-Brauns MJ, Huber IG, Koschak A, Wild C, Obermair GJ, Einzinger U, Hoda JC, Sartori SB, Striessnig J: Expression and 1,4-dihydropyridine-binding properties of brain L-type calcium channel isoforms. Mol Pharmacol. 2009 Feb;75(2):407-14. doi: 10.1124/mol.108.049981. Epub 2008 Nov 24.@@Weant KA, Ramsey CN 3rd, Cook AM: Role of intraarterial therapy for cerebral vasospasm secondary to aneurysmal subarachnoid hemorrhage. Pharmacotherapy. 2010 Apr;30(4):405-17. doi: 10.1592/phco.30.4.405.@@Dong CJ, Guo Y, Agey P, Wheeler L, Hare WA: Nimodipine enhancement of alpha2 adrenergic modulation of NMDA receptor via a mechanism independent of Ca2+ channel blocking. Invest Ophthalmol Vis Sci. 2010 Aug;51(8):4174-80. doi: 10.1167/iovs.09-4613. Epub 2010 Mar 24.@@Kim JH, Park IS, Park KB, Kang DH, Hwang SH: Intraarterial nimodipine infusion to treat symptomatic cerebral vasospasm after aneurysmal subarachnoid hemorrhage. J Korean Neurosurg Soc. 2009 Sep;46(3):239-44. doi: 10.3340/jkns.2009.46.3.239. Epub 2009 Sep 30.@@Kumar R, Mehra R, Ray SB: L-type calcium channel blockers, morphine and pain: Newer insights. Indian J Anaesth. 2010 Mar;54(2):127-31. doi: 10.4103/0019-5049.63652.@@Keyrouz SG, Diringer MN: Clinical review: Prevention and therapy of vasospasm in subarachnoid hemorrhage. Crit Care. 2007;11(4):220." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Nicotinic Acids; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C Nimodipine Action Pathway drug_action 1910 46508497 D00438 PA450633 DAP000306 Nimodipine CHEMBL1428 7426 DB00393 Nimodipine BE0002355 CACNA1S Q13698 CAC1S_HUMAN inhibitor 16675661; 20334460; 20335610; 19844625; 20661350; 17705883 "Peterson BZ, Catterall WA: Allosteric interactions required for high-affinity binding of dihydropyridine antagonists to Ca(V)1.1 Channels are modulated by calcium in the pore. Mol Pharmacol. 2006 Aug;70(2):667-75. Epub 2006 May 4.@@Weant KA, Ramsey CN 3rd, Cook AM: Role of intraarterial therapy for cerebral vasospasm secondary to aneurysmal subarachnoid hemorrhage. Pharmacotherapy. 2010 Apr;30(4):405-17. doi: 10.1592/phco.30.4.405.@@Dong CJ, Guo Y, Agey P, Wheeler L, Hare WA: Nimodipine enhancement of alpha2 adrenergic modulation of NMDA receptor via a mechanism independent of Ca2+ channel blocking. Invest Ophthalmol Vis Sci. 2010 Aug;51(8):4174-80. doi: 10.1167/iovs.09-4613. Epub 2010 Mar 24.@@Kim JH, Park IS, Park KB, Kang DH, Hwang SH: Intraarterial nimodipine infusion to treat symptomatic cerebral vasospasm after aneurysmal subarachnoid hemorrhage. J Korean Neurosurg Soc. 2009 Sep;46(3):239-44. doi: 10.3340/jkns.2009.46.3.239. Epub 2009 Sep 30.@@Kumar R, Mehra R, Ray SB: L-type calcium channel blockers, morphine and pain: Newer insights. Indian J Anaesth. 2010 Mar;54(2):127-31. doi: 10.4103/0019-5049.63652.@@Keyrouz SG, Diringer MN: Clinical review: Prevention and therapy of vasospasm in subarachnoid hemorrhage. Crit Care. 2007;11(4):220." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Nicotinic Acids; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C Nimodipine Action Pathway drug_action 1910 46508497 D00438 PA450633 DAP000306 Nimodipine CHEMBL1428 7426 DB00393 Nimodipine BE0002354 CACNB2 Q08289 CACB2_HUMAN inhibitor 11752352; 20334460; 19844625; 20661350; 17705883 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Weant KA, Ramsey CN 3rd, Cook AM: Role of intraarterial therapy for cerebral vasospasm secondary to aneurysmal subarachnoid hemorrhage. Pharmacotherapy. 2010 Apr;30(4):405-17. doi: 10.1592/phco.30.4.405.@@Kim JH, Park IS, Park KB, Kang DH, Hwang SH: Intraarterial nimodipine infusion to treat symptomatic cerebral vasospasm after aneurysmal subarachnoid hemorrhage. J Korean Neurosurg Soc. 2009 Sep;46(3):239-44. doi: 10.3340/jkns.2009.46.3.239. Epub 2009 Sep 30.@@Kumar R, Mehra R, Ray SB: L-type calcium channel blockers, morphine and pain: Newer insights. Indian J Anaesth. 2010 Mar;54(2):127-31. doi: 10.4103/0019-5049.63652.@@Keyrouz SG, Diringer MN: Clinical review: Prevention and therapy of vasospasm in subarachnoid hemorrhage. Crit Care. 2007;11(4):220." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Nicotinic Acids; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C Nimodipine Action Pathway drug_action 1910 46508497 D00438 PA450633 DAP000306 Nimodipine CHEMBL1428 7426 DB00393 Nimodipine BE0002356 CACNB4 O00305 CACB4_HUMAN inhibitor 20334460; 20335610; 19844625; 20661350; 17705883 "Weant KA, Ramsey CN 3rd, Cook AM: Role of intraarterial therapy for cerebral vasospasm secondary to aneurysmal subarachnoid hemorrhage. Pharmacotherapy. 2010 Apr;30(4):405-17. doi: 10.1592/phco.30.4.405.@@Dong CJ, Guo Y, Agey P, Wheeler L, Hare WA: Nimodipine enhancement of alpha2 adrenergic modulation of NMDA receptor via a mechanism independent of Ca2+ channel blocking. Invest Ophthalmol Vis Sci. 2010 Aug;51(8):4174-80. doi: 10.1167/iovs.09-4613. Epub 2010 Mar 24.@@Kim JH, Park IS, Park KB, Kang DH, Hwang SH: Intraarterial nimodipine infusion to treat symptomatic cerebral vasospasm after aneurysmal subarachnoid hemorrhage. J Korean Neurosurg Soc. 2009 Sep;46(3):239-44. doi: 10.3340/jkns.2009.46.3.239. Epub 2009 Sep 30.@@Kumar R, Mehra R, Ray SB: L-type calcium channel blockers, morphine and pain: Newer insights. Indian J Anaesth. 2010 Mar;54(2):127-31. doi: 10.4103/0019-5049.63652.@@Keyrouz SG, Diringer MN: Clinical review: Prevention and therapy of vasospasm in subarachnoid hemorrhage. Crit Care. 2007;11(4):220." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Nicotinic Acids; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C Nimodipine Action Pathway drug_action 1910 46508497 D00438 PA450633 DAP000306 Nimodipine CHEMBL1428 7426 DB00393 Nimodipine BE0000668 NR3C2 P08235 MCR_HUMAN antagonist 18250364 "Dietz JD, Du S, Bolten CW, Payne MA, Xia C, Blinn JR, Funder JW, Hu X: A number of marketed dihydropyridine calcium channel blockers have mineralocorticoid receptor antagonist activity. Hypertension. 2008 Mar;51(3):742-8. doi: 10.1161/HYPERTENSIONAHA.107.103580. Epub 2008 Feb 4." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Nicotinic Acids; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C Nimodipine Action Pathway drug_action 1910 46508497 D00438 PA450633 DAP000306 Nimodipine CHEMBL1428 7426 DB00393 Nimodipine BE0003721 AHR P35869 AHR_HUMAN agonist 17327465 "Hu W, Sorrentino C, Denison MS, Kolaja K, Fielden MR: Induction of cyp1a1 is a nonspecific biomarker of aryl hydrocarbon receptor activation: results of large scale screening of pharmaceuticals and toxicants in vivo and in vitro. Mol Pharmacol. 2007 Jun;71(6):1475-86. Epub 2007 Feb 27." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Nicotinic Acids; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C Nimodipine Action Pathway drug_action 1910 46508497 D00438 PA450633 DAP000306 Nimodipine CHEMBL1428 7426 DB00394 Beclomethasone dipropionate BE0000794 NR3C1 P04150 GCR_HUMAN agonist 12010562; 16507850; 15860753; 2207292 "Saklatvala J: Glucocorticoids: do we know how they work? Arthritis Res. 2002;4(3):146-50. Epub 2002 Jan 21.@@Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6.@@Usmani OS, Ito K, Maneechotesuwan K, Ito M, Johnson M, Barnes PJ, Adcock IM: Glucocorticoid receptor nuclear translocation in airway cells after inhaled combination therapy. Am J Respir Crit Care Med. 2005 Sep 15;172(6):704-12. Epub 2005 Apr 28.@@Wurthwein G, Rohdewald P: Activation of beclomethasone dipropionate by hydrolysis to beclomethasone-17-monopropionate. Biopharm Drug Dispos. 1990 Jul;11(5):381-94." Approved; Investigational "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "OATP1B1/SLCO1B1 Inhibitors; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Corticosteroids Acting Locally; Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Pregnadienetriols; Steroids; Nasal Preparations; Alimentary Tract and Metabolism; Hormones; Steroids, Chlorinated; Fused-Ring Compounds; OATP1B3 inhibitors; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Adrenals; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7567 46509195 D07495 PA448547 DAP000416 Beclometasone CHEMBL1200500 1348 DB00395 Carisoprodol BE0000795 GABRA1 P14867 GBRA1_HUMAN activator 19244096; 20419052; 26872987 "Gonzalez LA, Gatch MB, Taylor CM, Bell-Horner CL, Forster MJ, Dillon GH: Carisoprodol-mediated modulation of GABAA receptors: in vitro and in vivo studies. J Pharmacol Exp Ther. 2009 May;329(2):827-37. doi: 10.1124/jpet.109.151142. Epub 2009 Feb 24.@@Gonzalez LA, Gatch MB, Forster MJ, Dillon GH: Abuse Potential of Soma: the GABA(A) Receptor as a Target. Mol Cell Pharmacol. 2009 Jan 1;1(4):180-186.@@Kumar M, Dillon GH: Assessment of direct gating and allosteric modulatory effects of meprobamate in recombinant GABA(A) receptors. Eur J Pharmacol. 2016 Mar 15;775:149-58. doi: 10.1016/j.ejphar.2016.02.031. Epub 2016 Feb 9." Approved Carbamate esters "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Muscle Relaxants, Centrally Acting Agents; Musculo-Skeletal System; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Carbamates; Centrally-mediated Muscle Relaxation; Carbamic Acid Esters; Cytochrome P-450 CYP2C19 Substrates" CCCC(C)(COC(N)=O)COC(=O)NC(C)C 9924 46506377 D00768 PA448809 Carisoprodol CHEMBL1233 2101 DB00395 Carisoprodol BE0002346 GABRB2 P47870 GBRB2_HUMAN modulator 19244096; 26872987; 20419052 "Gonzalez LA, Gatch MB, Taylor CM, Bell-Horner CL, Forster MJ, Dillon GH: Carisoprodol-mediated modulation of GABAA receptors: in vitro and in vivo studies. J Pharmacol Exp Ther. 2009 May;329(2):827-37. doi: 10.1124/jpet.109.151142. Epub 2009 Feb 24.@@Kumar M, Dillon GH: Assessment of direct gating and allosteric modulatory effects of meprobamate in recombinant GABA(A) receptors. Eur J Pharmacol. 2016 Mar 15;775:149-58. doi: 10.1016/j.ejphar.2016.02.031. Epub 2016 Feb 9.@@Gonzalez LA, Gatch MB, Forster MJ, Dillon GH: Abuse Potential of Soma: the GABA(A) Receptor as a Target. Mol Cell Pharmacol. 2009 Jan 1;1(4):180-186." Approved Carbamate esters "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Muscle Relaxants, Centrally Acting Agents; Musculo-Skeletal System; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Carbamates; Centrally-mediated Muscle Relaxation; Carbamic Acid Esters; Cytochrome P-450 CYP2C19 Substrates" CCCC(C)(COC(N)=O)COC(=O)NC(C)C 9924 46506377 D00768 PA448809 Carisoprodol CHEMBL1233 2101 DB00396 Progesterone BE0000557 PGR P06401 PRGR_HUMAN agonist 17013809; 17015480; 17138644; 17169175; 9506743; 30013421 "Madauss KP, Stewart EL, Williams SP: The evolution of progesterone receptor ligands. Med Res Rev. 2007 May;27(3):374-400.@@Gizard F, Robillard R, Gross B, Barbier O, Revillion F, Peyrat JP, Torpier G, Hum DW, Staels B: TReP-132 is a novel progesterone receptor coactivator required for the inhibition of breast cancer cell growth and enhancement of differentiation by progesterone. Mol Cell Biol. 2006 Oct;26(20):7632-44.@@Boonyaratanakornkit V, McGowan E, Sherman L, Mancini MA, Cheskis BJ, Edwards DP: The role of extranuclear signaling actions of progesterone receptor in mediating progesterone regulation of gene expression and the cell cycle. Mol Endocrinol. 2007 Feb;21(2):359-75. Epub 2006 Nov 30.@@Tranguch S, Smith DF, Dey SK: Progesterone receptor requires a co-chaperone for signalling in uterine biology and implantation. Reprod Biomed Online. 2006 Nov;13(5):651-60.@@Luconi M, Bonaccorsi L, Maggi M, Pecchioli P, Krausz C, Forti G, Baldi E: Identification and characterization of functional nongenomic progesterone receptors on human sperm membrane. J Clin Endocrinol Metab. 1998 Mar;83(3):877-85.@@Okada H, Tsuzuki T, Murata H: Decidualization of the human endometrium. Reprod Med Biol. 2018 Feb 1;17(3):220-227. doi: 10.1002/rmb2.12088. eCollection 2018 Jul." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OATP1B3 inducers; Pregnenes; OCT2 Inhibitors; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Progesterone, antagonists & inhibitors; Progestins; Cytochrome P-450 Enzyme Inducers; Progesterone and Derivatives; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Corpus Luteum Hormones; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Pregnenediones; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; BCRP/ABCG2 Inducers; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21) disease; metabolic 7554 46508968 D00066 PA451123 DAP000549 Progesterone CHEMBL103 8727 DB00396 Progesterone BE0000668 NR3C2 P08235 MCR_HUMAN antagonist 8282004; 12039699; 8928765; 7588320 "Rupprecht R, Reul JM, van Steensel B, Spengler D, Soder M, Berning B, Holsboer F, Damm K: Pharmacological and functional characterization of human mineralocorticoid and glucocorticoid receptor ligands. Eur J Pharmacol. 1993 Oct 15;247(2):145-54.@@Quinkler M, Meyer B, Bumke-Vogt C, Grossmann C, Gruber U, Oelkers W, Diederich S, Bahr V: Agonistic and antagonistic properties of progesterone metabolites at the human mineralocorticoid receptor. Eur J Endocrinol. 2002 Jun;146(6):789-99.@@Myles K, Funder JW: Progesterone binding to mineralocorticoid receptors: in vitro and in vivo studies. Am J Physiol. 1996 Apr;270(4 Pt 1):E601-7. doi: 10.1152/ajpendo.1996.270.4.E601.@@Souque A, Fagart J, Couette B, Davioud E, Sobrio F, Marquet A, Rafestin-Oblin ME: The mineralocorticoid activity of progesterone derivatives depends on the nature of the C18 substituent. Endocrinology. 1995 Dec;136(12):5651-8. doi: 10.1210/endo.136.12.7588320." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OATP1B3 inducers; Pregnenes; OCT2 Inhibitors; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Progesterone, antagonists & inhibitors; Progestins; Cytochrome P-450 Enzyme Inducers; Progesterone and Derivatives; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Corpus Luteum Hormones; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Pregnenediones; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; BCRP/ABCG2 Inducers; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21) disease; metabolic 7554 46508968 D00066 PA451123 DAP000549 Progesterone CHEMBL103 8727 DB00396 Progesterone BE0000123 ESR1 P03372 ESR1_HUMAN agonist 17118173; 17341305; 26153859; 19094096; 11014241 "Lessey BA, Palomino WA, Apparao KB, Young SL, Lininger RA: Estrogen receptor-alpha (ER-alpha) and defects in uterine receptivity in women. Reprod Biol Endocrinol. 2006;4 Suppl 1:S9.@@Montero Girard G, Vanzulli SI, Cerliani JP, Bottino MC, Bolado J, Vela J, Becu-Villalobos D, Benavides F, Gutkind S, Patel V, Molinolo A, Lanari C: Association of estrogen receptor-alpha and progesterone receptor A expression with hormonal mammary carcinogenesis: role of the host microenvironment. Breast Cancer Res. 2007;9(2):R22.@@Mohammed H, Russell IA, Stark R, Rueda OM, Hickey TE, Tarulli GA, Serandour AA, Birrell SN, Bruna A, Saadi A, Menon S, Hadfield J, Pugh M, Raj GV, Brown GD, D'Santos C, Robinson JL, Silva G, Launchbury R, Perou CM, Stingl J, Caldas C, Tilley WD, Carroll JS: Progesterone receptor modulates ERalpha action in breast cancer. Nature. 2015 Jul 16;523(7560):313-7. doi: 10.1038/nature14583. Epub 2015 Jul 8.@@Jayaraman A, Pike CJ: Progesterone attenuates oestrogen neuroprotection via downregulation of oestrogen receptor expression in cultured neurones. J Neuroendocrinol. 2009 Jan;21(1):77-81. doi: 10.1111/j.1365-2826.2008.01801.x.@@Tessier C, Deb S, Prigent-Tessier A, Ferguson-Gottschall S, Gibori GB, Shiu RP, Gibori G: Estrogen receptors alpha and beta in rat decidua cells: cell-specific expression and differential regulation by steroid hormones and prolactin. Endocrinology. 2000 Oct;141(10):3842-51. doi: 10.1210/endo.141.10.7734." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OATP1B3 inducers; Pregnenes; OCT2 Inhibitors; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Progesterone, antagonists & inhibitors; Progestins; Cytochrome P-450 Enzyme Inducers; Progesterone and Derivatives; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Corpus Luteum Hormones; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Pregnenediones; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; BCRP/ABCG2 Inducers; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21) disease; metabolic 7554 46508968 D00066 PA451123 DAP000549 Progesterone CHEMBL103 8727 DB00396 Progesterone BE0000794 NR3C1 P04150 GCR_HUMAN partial agonist 18060946; 2214763; 14617569 "Attardi BJ, Zeleznik A, Simhan H, Chiao JP, Mattison DR, Caritis SN: Comparison of progesterone and glucocorticoid receptor binding and stimulation of gene expression by progesterone, 17-alpha hydroxyprogesterone caproate, and related progestins. Am J Obstet Gynecol. 2007 Dec;197(6):599.e1-7.@@Xu XF, Hoebeke J, Bjorntorp P: Progestin binds to the glucocorticoid receptor and mediates antiglucocorticoid effect in rat adipose precursor cells. J Steroid Biochem. 1990 Aug 14;36(5):465-71.@@Leo JC, Guo C, Woon CT, Aw SE, Lin VC: Glucocorticoid and mineralocorticoid cross-talk with progesterone receptor to induce focal adhesion and growth inhibition in breast cancer cells. Endocrinology. 2004 Mar;145(3):1314-21. doi: 10.1210/en.2003-0732. Epub 2003 Nov 14." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OATP1B3 inducers; Pregnenes; OCT2 Inhibitors; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Progesterone, antagonists & inhibitors; Progestins; Cytochrome P-450 Enzyme Inducers; Progesterone and Derivatives; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Corpus Luteum Hormones; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Pregnenediones; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; BCRP/ABCG2 Inducers; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21) disease; metabolic 7554 46508968 D00066 PA451123 DAP000549 Progesterone CHEMBL103 8727 DB00396 Progesterone BE0000132 AR P10275 ANDR_HUMAN agonist 1397870; 10509795; 19111796 "Miedema BW, Kelly KA, Camilleri M, Hanson RB, Zinsmeister AR, O'Connor MK, Brown ML: Human gastric and jejunal transit and motility after Roux gastrojejunostomy. Gastroenterology. 1992 Oct;103(4):1133-43.@@Bentel JM, Birrell SN, Pickering MA, Holds DJ, Horsfall DJ, Tilley WD: Androgen receptor agonist activity of the synthetic progestin, medroxyprogesterone acetate, in human breast cancer cells. Mol Cell Endocrinol. 1999 Aug 20;154(1-2):11-20.@@Yuan X, Balk SP: Mechanisms mediating androgen receptor reactivation after castration. Urol Oncol. 2009 Jan-Feb;27(1):36-41. doi: 10.1016/j.urolonc.2008.03.021." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OATP1B3 inducers; Pregnenes; OCT2 Inhibitors; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Progesterone, antagonists & inhibitors; Progestins; Cytochrome P-450 Enzyme Inducers; Progesterone and Derivatives; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Corpus Luteum Hormones; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Pregnenediones; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; BCRP/ABCG2 Inducers; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21) disease; metabolic 7554 46508968 D00066 PA451123 DAP000549 Progesterone CHEMBL103 8727 DB00396 Progesterone BE0000685 SHBG P04278 SHBG_HUMAN binder 25349334; 6538615; 9408086 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27.@@Dalton ME: The effect of progesterone administration on sex hormone binding globulin binding capacity in women with severe premenstrual syndrome. J Steroid Biochem. 1984 Jan;20(1):437-9.@@Misao R, Nakanishi Y, Fujimoto J, Tamaya T: Effects of danazol and progesterone on sex hormone-binding globulin mRNA expression in human endometrial cancer cell line Ishikawa. J Steroid Biochem Mol Biol. 1997 Jul;62(4):321-5." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OATP1B3 inducers; Pregnenes; OCT2 Inhibitors; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Progesterone, antagonists & inhibitors; Progestins; Cytochrome P-450 Enzyme Inducers; Progesterone and Derivatives; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Corpus Luteum Hormones; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Pregnenediones; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; BCRP/ABCG2 Inducers; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21) disease; metabolic 7554 46508968 D00066 PA451123 DAP000549 Progesterone CHEMBL103 8727 DB00396 Progesterone BE0000792 ESR2 Q92731 ESR2_HUMAN agonist 20977477; 19094096; 11014241; 17341305 "Aguirre C, Jayaraman A, Pike C, Baudry M: Progesterone inhibits estrogen-mediated neuroprotection against excitotoxicity by down-regulating estrogen receptor-beta. J Neurochem. 2010 Dec;115(5):1277-87. doi: 10.1111/j.1471-4159.2010.07038.x. Epub 2010 Oct 26.@@Jayaraman A, Pike CJ: Progesterone attenuates oestrogen neuroprotection via downregulation of oestrogen receptor expression in cultured neurones. J Neuroendocrinol. 2009 Jan;21(1):77-81. doi: 10.1111/j.1365-2826.2008.01801.x.@@Tessier C, Deb S, Prigent-Tessier A, Ferguson-Gottschall S, Gibori GB, Shiu RP, Gibori G: Estrogen receptors alpha and beta in rat decidua cells: cell-specific expression and differential regulation by steroid hormones and prolactin. Endocrinology. 2000 Oct;141(10):3842-51. doi: 10.1210/endo.141.10.7734.@@Montero Girard G, Vanzulli SI, Cerliani JP, Bottino MC, Bolado J, Vela J, Becu-Villalobos D, Benavides F, Gutkind S, Patel V, Molinolo A, Lanari C: Association of estrogen receptor-alpha and progesterone receptor A expression with hormonal mammary carcinogenesis: role of the host microenvironment. Breast Cancer Res. 2007;9(2):R22." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OATP1B3 inducers; Pregnenes; OCT2 Inhibitors; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Progesterone, antagonists & inhibitors; Progestins; Cytochrome P-450 Enzyme Inducers; Progesterone and Derivatives; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Corpus Luteum Hormones; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Pregnenediones; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; BCRP/ABCG2 Inducers; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21) disease; metabolic 7554 46508968 D00066 PA451123 DAP000549 Progesterone CHEMBL103 8727 DB00398 Sorafenib BE0000634 BRAF P15056 BRAF_HUMAN inhibitor 16609060; 16901402; 17575107; 16880785; 20812347; 11752352; 20586710 "Flaherty KT: Chemotherapy and targeted therapy combinations in advanced melanoma. Clin Cancer Res. 2006 Apr 1;12(7 Pt 2):2366s-2370s.@@Haluska FG, Ibrahim N: Therapeutic targets in melanoma: map kinase pathway. Curr Oncol Rep. 2006 Sep;8(5):400-5.@@Kim S, Yazici YD, Calzada G, Wang ZY, Younes MN, Jasser SA, El-Naggar AK, Myers JN: Sorafenib inhibits the angiogenesis and growth of orthotopic anaplastic thyroid carcinoma xenografts in nude mice. Mol Cancer Ther. 2007 Jun;6(6):1785-92.@@Eisen T, Ahmad T, Flaherty KT, Gore M, Kaye S, Marais R, Gibbens I, Hackett S, James M, Schuchter LM, Nathanson KL, Xia C, Simantov R, Schwartz B, Poulin-Costello M, O'Dwyer PJ, Ratain MJ: Sorafenib in advanced melanoma: a Phase II randomised discontinuation trial analysis. Br J Cancer. 2006 Sep 4;95(5):581-6. Epub 2006 Aug 1.@@Lu X, Tang X, Guo W, Ren T, Zhao H: Sorafenib induces growth inhibition and apoptosis of human chondrosarcoma cells by blocking the RAF/ERK/MEK pathway. J Surg Oncol. 2010 Dec 1;102(7):821-6. doi: 10.1002/jso.21661.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Iyer R, Fetterly G, Lugade A, Thanavala Y: Sorafenib: a clinical and pharmacologic review. Expert Opin Pharmacother. 2010 Aug;11(11):1943-55. doi: 10.1517/14656566.2010.496453." Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; UGT1A9 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Phenylurea Compounds; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong) CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1 Sorafenib Metabolism Pathway drug_metabolism 15231 46505329 D08524 PA7000 DAP000006 Sorafenib CHEMBL1336 495881 DB00398 Sorafenib BE0000036 RAF1 P04049 RAF1_HUMAN inhibitor 16757355; 16890795; 17266941; 17272980; 17296815; 20812347; 18794803; 18852116; 20586710 "Adnane L, Trail PA, Taylor I, Wilhelm SM: Sorafenib (BAY 43-9006, Nexavar), a dual-action inhibitor that targets RAF/MEK/ERK pathway in tumor cells and tyrosine kinases VEGFR/PDGFR in tumor vasculature. Methods Enzymol. 2006;407:597-612.@@Gollob JA, Wilhelm S, Carter C, Kelley SL: Role of Raf kinase in cancer: therapeutic potential of targeting the Raf/MEK/ERK signal transduction pathway. Semin Oncol. 2006 Aug;33(4):392-406.@@Huether A, Hopfner M, Baradari V, Schuppan D, Scherubl H: Sorafenib alone or as combination therapy for growth control of cholangiocarcinoma. Biochem Pharmacol. 2007 May 1;73(9):1308-17. Epub 2007 Jan 5.@@Cascone T, Gridelli C, Ciardiello F: Combined targeted therapies in non-small cell lung cancer: a winner strategy? Curr Opin Oncol. 2007 Mar;19(2):98-102.@@Gridelli C, Maione P, Del Gaizo F, Colantuoni G, Guerriero C, Ferrara C, Nicolella D, Comunale D, De Vita A, Rossi A: Sorafenib and sunitinib in the treatment of advanced non-small cell lung cancer. Oncologist. 2007 Feb;12(2):191-200.@@Lu X, Tang X, Guo W, Ren T, Zhao H: Sorafenib induces growth inhibition and apoptosis of human chondrosarcoma cells by blocking the RAF/ERK/MEK pathway. J Surg Oncol. 2010 Dec 1;102(7):821-6. doi: 10.1002/jso.21661.@@Smalley KS, Xiao M, Villanueva J, Nguyen TK, Flaherty KT, Letrero R, Van Belle P, Elder DE, Wang Y, Nathanson KL, Herlyn M: CRAF inhibition induces apoptosis in melanoma cells with non-V600E BRAF mutations. Oncogene. 2009 Jan 8;28(1):85-94. doi: 10.1038/onc.2008.362. Epub 2008 Sep 15.@@Wilhelm SM, Adnane L, Newell P, Villanueva A, Llovet JM, Lynch M: Preclinical overview of sorafenib, a multikinase inhibitor that targets both Raf and VEGF and PDGF receptor tyrosine kinase signaling. Mol Cancer Ther. 2008 Oct;7(10):3129-40. doi: 10.1158/1535-7163.MCT-08-0013.@@Iyer R, Fetterly G, Lugade A, Thanavala Y: Sorafenib: a clinical and pharmacologic review. Expert Opin Pharmacother. 2010 Aug;11(11):1943-55. doi: 10.1517/14656566.2010.496453." Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; UGT1A9 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Phenylurea Compounds; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong) CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1 Sorafenib Metabolism Pathway drug_metabolism 15231 46505329 D08524 PA7000 DAP000006 Sorafenib CHEMBL1336 495881 DB00398 Sorafenib BE0000029 FLT1 P17948 VGFR1_HUMAN inhibitor 15466206; 16507829; 17016424; 20586710 "Wilhelm SM, Carter C, Tang L, Wilkie D, McNabola A, Rong H, Chen C, Zhang X, Vincent P, McHugh M, Cao Y, Shujath J, Gawlak S, Eveleigh D, Rowley B, Liu L, Adnane L, Lynch M, Auclair D, Taylor I, Gedrich R, Voznesensky A, Riedl B, Post LE, Bollag G, Trail PA: BAY 43-9006 exhibits broad spectrum oral antitumor activity and targets the RAF/MEK/ERK pathway and receptor tyrosine kinases involved in tumor progression and angiogenesis. Cancer Res. 2004 Oct 1;64(19):7099-109.@@Carlomagno F, Anaganti S, Guida T, Salvatore G, Troncone G, Wilhelm SM, Santoro M: BAY 43-9006 inhibition of oncogenic RET mutants. J Natl Cancer Inst. 2006 Mar 1;98(5):326-34.@@Wilhelm S, Carter C, Lynch M, Lowinger T, Dumas J, Smith RA, Schwartz B, Simantov R, Kelley S: Discovery and development of sorafenib: a multikinase inhibitor for treating cancer. Nat Rev Drug Discov. 2006 Oct;5(10):835-44.@@Iyer R, Fetterly G, Lugade A, Thanavala Y: Sorafenib: a clinical and pharmacologic review. Expert Opin Pharmacother. 2010 Aug;11(11):1943-55. doi: 10.1517/14656566.2010.496453." Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; UGT1A9 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Phenylurea Compounds; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong) CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1 Sorafenib Metabolism Pathway drug_metabolism 15231 46505329 D08524 PA7000 DAP000006 Sorafenib CHEMBL1336 495881 DB00398 Sorafenib BE0000453 KIT P10721 KIT_HUMAN antagonist 17545544; 17102120; 17229632; 17272980; 17178882; 20586710 "Guida T, Anaganti S, Provitera L, Gedrich R, Sullivan E, Wilhelm SM, Santoro M, Carlomagno F: Sorafenib inhibits imatinib-resistant KIT and platelet-derived growth factor receptor beta gatekeeper mutants. Clin Cancer Res. 2007 Jun 1;13(11):3363-9.@@Koch CA, Gimm O, Vortmeyer AO, Al-Ali HK, Lamesch P, Ott R, Kluge R, Bierbach U, Tannapfel A: Does the expression of c-kit (CD117) in neuroendocrine tumors represent a target for therapy? Ann N Y Acad Sci. 2006 Aug;1073:517-26.@@Lierman E, Lahortiga I, Van Miegroet H, Mentens N, Marynen P, Cools J: The ability of sorafenib to inhibit oncogenic PDGFRbeta and FLT3 mutants and overcome resistance to other small molecule inhibitors. Haematologica. 2007 Jan;92(1):27-34.@@Cascone T, Gridelli C, Ciardiello F: Combined targeted therapies in non-small cell lung cancer: a winner strategy? Curr Opin Oncol. 2007 Mar;19(2):98-102.@@Liu L, Cao Y, Chen C, Zhang X, McNabola A, Wilkie D, Wilhelm S, Lynch M, Carter C: Sorafenib blocks the RAF/MEK/ERK pathway, inhibits tumor angiogenesis, and induces tumor cell apoptosis in hepatocellular carcinoma model PLC/PRF/5. Cancer Res. 2006 Dec 15;66(24):11851-8.@@Iyer R, Fetterly G, Lugade A, Thanavala Y: Sorafenib: a clinical and pharmacologic review. Expert Opin Pharmacother. 2010 Aug;11(11):1943-55. doi: 10.1517/14656566.2010.496453." Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; UGT1A9 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Phenylurea Compounds; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong) CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1 Sorafenib Metabolism Pathway drug_metabolism 15231 46505329 D08524 PA7000 DAP000006 Sorafenib CHEMBL1336 495881 DB00398 Sorafenib BE0002131 FGFR1 P11362 FGFR1_HUMAN inhibitor 15466206; 16507829; 17016424 "Wilhelm SM, Carter C, Tang L, Wilkie D, McNabola A, Rong H, Chen C, Zhang X, Vincent P, McHugh M, Cao Y, Shujath J, Gawlak S, Eveleigh D, Rowley B, Liu L, Adnane L, Lynch M, Auclair D, Taylor I, Gedrich R, Voznesensky A, Riedl B, Post LE, Bollag G, Trail PA: BAY 43-9006 exhibits broad spectrum oral antitumor activity and targets the RAF/MEK/ERK pathway and receptor tyrosine kinases involved in tumor progression and angiogenesis. Cancer Res. 2004 Oct 1;64(19):7099-109.@@Carlomagno F, Anaganti S, Guida T, Salvatore G, Troncone G, Wilhelm SM, Santoro M: BAY 43-9006 inhibition of oncogenic RET mutants. J Natl Cancer Inst. 2006 Mar 1;98(5):326-34.@@Wilhelm S, Carter C, Lynch M, Lowinger T, Dumas J, Smith RA, Schwartz B, Simantov R, Kelley S: Discovery and development of sorafenib: a multikinase inhibitor for treating cancer. Nat Rev Drug Discov. 2006 Oct;5(10):835-44." Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; UGT1A9 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Phenylurea Compounds; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong) CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1 Sorafenib Metabolism Pathway drug_metabolism 15231 46505329 D08524 PA7000 DAP000006 Sorafenib CHEMBL1336 495881 DB00398 Sorafenib BE0002411 RET P07949 RET_HUMAN inhibitor 15466206; 16507829; 17016424 "Wilhelm SM, Carter C, Tang L, Wilkie D, McNabola A, Rong H, Chen C, Zhang X, Vincent P, McHugh M, Cao Y, Shujath J, Gawlak S, Eveleigh D, Rowley B, Liu L, Adnane L, Lynch M, Auclair D, Taylor I, Gedrich R, Voznesensky A, Riedl B, Post LE, Bollag G, Trail PA: BAY 43-9006 exhibits broad spectrum oral antitumor activity and targets the RAF/MEK/ERK pathway and receptor tyrosine kinases involved in tumor progression and angiogenesis. Cancer Res. 2004 Oct 1;64(19):7099-109.@@Carlomagno F, Anaganti S, Guida T, Salvatore G, Troncone G, Wilhelm SM, Santoro M: BAY 43-9006 inhibition of oncogenic RET mutants. J Natl Cancer Inst. 2006 Mar 1;98(5):326-34.@@Wilhelm S, Carter C, Lynch M, Lowinger T, Dumas J, Smith RA, Schwartz B, Simantov R, Kelley S: Discovery and development of sorafenib: a multikinase inhibitor for treating cancer. Nat Rev Drug Discov. 2006 Oct;5(10):835-44." Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; UGT1A9 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Phenylurea Compounds; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong) CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1 Sorafenib Metabolism Pathway drug_metabolism 15231 46505329 D08524 PA7000 DAP000006 Sorafenib CHEMBL1336 495881 DB00399 Zoledronic acid BE0000776 FDPS P14324 FPPS_HUMAN inhibitor 11160603; 17477829; 17535895; 11752352 "Dunford JE, Thompson K, Coxon FP, Luckman SP, Hahn FM, Poulter CD, Ebetino FH, Rogers MJ: Structure-activity relationships for inhibition of farnesyl diphosphate synthase in vitro and inhibition of bone resorption in vivo by nitrogen-containing bisphosphonates. J Pharmacol Exp Ther. 2001 Feb;296(2):235-42.@@Glickman JF, Schmid A: Farnesyl pyrophosphate synthase: real-time kinetics and inhibition by nitrogen-containing bisphosphonates in a scintillation assay. Assay Drug Dev Technol. 2007 Apr;5(2):205-14.@@Guo RT, Cao R, Liang PH, Ko TP, Chang TH, Hudock MP, Jeng WY, Chen CK, Zhang Y, Song Y, Kuo CJ, Yin F, Oldfield E, Wang AH: Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases. Proc Natl Acad Sci U S A. 2007 Jun 12;104(24):10022-7. Epub 2007 May 29.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates Organophosphonates; Drugs Affecting Bone Structure and Mineralization; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Imidazoles; Bisphosphonates; Drugs for Treatment of Bone Diseases OC(CN1C=CN=C1)(P(O)(O)=O)P(O)(O)=O Zoledronate Action Pathway drug_action 12024 46507310 D01968 PA10235 DAP001539 Zoledronic_acid CHEMBL924 1546014 DB00401 Nisoldipine BE0000430 CACNA1C Q13936 CAC1C_HUMAN inhibitor 11752352; 9584217; 9846638; 7592963 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Hu H, Marban E: Isoform-specific inhibition of L-type calcium channels by dihydropyridines is independent of isoform-specific gating properties. Mol Pharmacol. 1998 May;53(5):902-7.@@Morel N, Buryi V, Feron O, Gomez JP, Christen MO, Godfraind T: The action of calcium channel blockers on recombinant L-type calcium channel alpha1-subunits. Br J Pharmacol. 1998 Nov;125(5):1005-12.@@Wei X, Pan S, Lang W, Kim H, Schneider T, Perez-Reyes E, Birnbaumer L: Molecular determinants of cardiac Ca2+ channel pharmacology. Subunit requirement for the high affinity and allosteric regulation of dihydropyridine binding. J Biol Chem. 1995 Nov 10;270(45):27106-11." Approved Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Decreased Blood Pressure; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C Nisoldipine Action Pathway drug_action 46504546 D00618 PA450634 DAP000595 Nisoldipine CHEMBL1726 7435 DB00401 Nisoldipine BE0000691 CACNA2D1 P54289 CA2D1_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Decreased Blood Pressure; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C Nisoldipine Action Pathway drug_action 46504546 D00618 PA450634 DAP000595 Nisoldipine CHEMBL1726 7435 DB00401 Nisoldipine BE0002354 CACNB2 Q08289 CACB2_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Decreased Blood Pressure; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C Nisoldipine Action Pathway drug_action 46504546 D00618 PA450634 DAP000595 Nisoldipine CHEMBL1726 7435 DB00401 Nisoldipine BE0002359 CACNA1D Q01668 CAC1D_HUMAN inhibitor 19029287 "Sinnegger-Brauns MJ, Huber IG, Koschak A, Wild C, Obermair GJ, Einzinger U, Hoda JC, Sartori SB, Striessnig J: Expression and 1,4-dihydropyridine-binding properties of brain L-type calcium channel isoforms. Mol Pharmacol. 2009 Feb;75(2):407-14. doi: 10.1124/mol.108.049981. Epub 2008 Nov 24." Approved Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Decreased Blood Pressure; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C Nisoldipine Action Pathway drug_action 46504546 D00618 PA450634 DAP000595 Nisoldipine CHEMBL1726 7435 DB00401 Nisoldipine BE0002355 CACNA1S Q13698 CAC1S_HUMAN inhibitor 16675661 "Peterson BZ, Catterall WA: Allosteric interactions required for high-affinity binding of dihydropyridine antagonists to Ca(V)1.1 Channels are modulated by calcium in the pore. Mol Pharmacol. 2006 Aug;70(2):667-75. Epub 2006 May 4." Approved Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Decreased Blood Pressure; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C Nisoldipine Action Pathway drug_action 46504546 D00618 PA450634 DAP000595 Nisoldipine CHEMBL1726 7435 DB00402 Eszopiclone BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 19942638; 18973287 "Nutt DJ, Stahl SM: Searching for perfect sleep: the continuing evolution of GABAA receptor modulators as hypnotics. J Psychopharmacol. 2010 Nov;24(11):1601-12. doi: 10.1177/0269881109106927. Epub 2009 Nov 26.@@Hanson SM, Morlock EV, Satyshur KA, Czajkowski C: Structural requirements for eszopiclone and zolpidem binding to the gamma-aminobutyric acid type-A (GABAA) receptor are different. J Med Chem. 2008 Nov 27;51(22):7243-52. doi: 10.1021/jm800889m." Approved; Investigational Cyclopyrrolones Organic compounds; Organoheterocyclic compounds; Pyrrolopyrazines; Cyclopyrrolones "Piperazines; Cytochrome P-450 CYP3A Substrates; Pyrazines; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Muscle Relaxants, Centrally Acting Agents; Zopiclone and prodrugs; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Hypnotics (Nonbenzodiazepine); Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Psycholeptics; Miscellaneous Anxiolytics Sedatives and Hypnotics; Drugs causing inadvertant photosensitivity; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Central Nervous System Agents; Nervous System" CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1 22704 46505809 PA162630444 DAP000933 Eszopiclone CHEMBL1522 461016 DB00402 Eszopiclone BE0000381 GABRA2 P47869 GBRA2_HUMAN agonist 19942638; 18973287 "Nutt DJ, Stahl SM: Searching for perfect sleep: the continuing evolution of GABAA receptor modulators as hypnotics. J Psychopharmacol. 2010 Nov;24(11):1601-12. doi: 10.1177/0269881109106927. Epub 2009 Nov 26.@@Hanson SM, Morlock EV, Satyshur KA, Czajkowski C: Structural requirements for eszopiclone and zolpidem binding to the gamma-aminobutyric acid type-A (GABAA) receptor are different. J Med Chem. 2008 Nov 27;51(22):7243-52. doi: 10.1021/jm800889m." Approved; Investigational Cyclopyrrolones Organic compounds; Organoheterocyclic compounds; Pyrrolopyrazines; Cyclopyrrolones "Piperazines; Cytochrome P-450 CYP3A Substrates; Pyrazines; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Muscle Relaxants, Centrally Acting Agents; Zopiclone and prodrugs; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Hypnotics (Nonbenzodiazepine); Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Psycholeptics; Miscellaneous Anxiolytics Sedatives and Hypnotics; Drugs causing inadvertant photosensitivity; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Central Nervous System Agents; Nervous System" CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1 22704 46505809 PA162630444 DAP000933 Eszopiclone CHEMBL1522 461016 DB00404 Alprazolam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved; Illicit; Investigational "1,2,4-triazolo[4,3-a][1,4]benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Amines; Biogenic Amines; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Triazolobenzodiazepines; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Catechols; Cytochrome P-450 CYP2C9 Substrates; Biogenic Monoamines; Tranquilizing Agents; Neurotransmitter Agents; Ethanolamines; Nervous System; Cytochrome P-450 CYP3A7 Substrates" CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12 2072 46507078 D00225 PA448333 DAP000239 Alprazolam CHEMBL661 596 DB00405 Dexbrompheniramine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 9691225; 1680053; 1970615; 7714410; 19085565; 11752352 "McLeod RL, Mingo G, O'Reilly S, Ruck LA, Bolser DC, Hey JA: Antitussive action of antihistamines is independent of sedative and ventilation activity in the guinea pig. Pharmacology. 1998 Aug;57(2):57-64.@@Bokesoy TA, Onaran HO: Atypical Schild plots with histamine H1 receptor agonists and antagonists in the rabbit aorta. Eur J Pharmacol. 1991 May 2;197(1):49-56.@@Onaran HO, Bokesoy TA: Kinetics of antagonism at histamine-H1 receptors in isolated rabbit arteries. Naunyn Schmiedebergs Arch Pharmacol. 1990 Apr;341(4):316-23.@@Yanni JM, Stephens DJ, Parnell DW, Spellman JM: Preclinical efficacy of emedastine, a potent, selective histamine H1 antagonist for topical ocular use. J Ocul Pharmacol. 1994 Winter;10(4):665-75.@@Sadofsky LR, Campi B, Trevisani M, Compton SJ, Morice AH: Transient receptor potential vanilloid-1-mediated calcium responses are inhibited by the alkylamine antihistamines dexbrompheniramine and chlorpheniramine. Exp Lung Res. 2008 Dec;34(10):681-93. doi: 10.1080/01902140802339623.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Pheniramines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines Potential QTc-Prolonging Agents; QTc Prolonging Agents; Central Nervous System Depressants; Histamine Antagonists; Substituted Alkylamines; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents; Pyridines CN(C)CC[C@@H](C1=CC=C(Br)C=C1)C1=CC=CC=N1 Dexbrompheniramine H1-Antihistamine Action drug_action 9733 46505186 PA164746251 DAP001068 Dexbrompheniramine CHEMBL1201287 22696 DB00407 Ardeparin BE0000775 SERPIND1 P05546 HEP2_HUMAN agonist 17139284; 17016423; 12397367; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Mousa SA: The low molecular weight heparin, tinzaparin, in thrombosis and beyond. Cardiovasc Drug Rev. 2002 Fall;20(3):199-216.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Withdrawn Heparin (Low Molecular Weight); Cardiovascular Agents; Glycosaminoglycans; Agents causing hyperkalemia; Polysaccharides; Carbohydrates; Heparin and similars; Anticoagulants; Hematologic Agents; Fibrin Modulating Agents Enoxaparin Action Pathway; Ardeparin Action Pathway drug_action 46505194 D02980 PA164754878 DAP000428 Ardeparin 87866 DB00408 Loxapine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 10991983 "Herrick-Davis K, Grinde E, Teitler M: Inverse agonist activity of atypical antipsychotic drugs at human 5-hydroxytryptamine2C receptors. J Pharmacol Exp Ther. 2000 Oct;295(1):226-32." Approved Dibenzoxazepines Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines "Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents" CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2 2310 46505047 D02340 PA450273 DAP000311 Loxapine CHEMBL831 6475 DB00408 Loxapine BE0000476 HTR1E P28566 5HT1E_HUMAN binder Approved Dibenzoxazepines Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines "Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents" CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2 2310 46505047 D02340 PA450273 DAP000311 Loxapine CHEMBL831 6475 DB00408 Loxapine BE0000650 HTR7 P34969 5HT7R_HUMAN binder Approved Dibenzoxazepines Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines "Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents" CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2 2310 46505047 D02340 PA450273 DAP000311 Loxapine CHEMBL831 6475 DB00408 Loxapine BE0000560 CHRM2 P08172 ACM2_HUMAN binder Approved Dibenzoxazepines Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines "Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents" CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2 2310 46505047 D02340 PA450273 DAP000311 Loxapine CHEMBL831 6475 DB00408 Loxapine BE0000045 CHRM3 P20309 ACM3_HUMAN binder Approved Dibenzoxazepines Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines "Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents" CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2 2310 46505047 D02340 PA450273 DAP000311 Loxapine CHEMBL831 6475 DB00408 Loxapine BE0000247 CHRM5 P08912 ACM5_HUMAN binder Approved Dibenzoxazepines Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines "Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents" CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2 2310 46505047 D02340 PA450273 DAP000311 Loxapine CHEMBL831 6475 DB00408 Loxapine BE0000581 DRD3 P35462 DRD3_HUMAN binder Approved Dibenzoxazepines Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines "Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents" CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2 2310 46505047 D02340 PA450273 DAP000311 Loxapine CHEMBL831 6475 DB00408 Loxapine BE0000442 HRH1 P35367 HRH1_HUMAN binder Approved Dibenzoxazepines Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines "Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents" CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2 2310 46505047 D02340 PA450273 DAP000311 Loxapine CHEMBL831 6475 DB00408 Loxapine BE0000112 HRH2 P25021 HRH2_HUMAN binder Approved Dibenzoxazepines Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines "Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents" CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2 2310 46505047 D02340 PA450273 DAP000311 Loxapine CHEMBL831 6475 DB00409 Remoxipride BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 11325388; 8405075 "Christian AJ, Goodwin AK, Baker LE: Antagonism of the discriminative stimulus effects of (+)-7-OH-DPAT by remoxipride but not PNU-99194A. Pharmacol Biochem Behav. 2001 Mar;68(3):371-7.@@Mohell N, Sallemark M, Rosqvist S, Malmberg A, Hogberg T, Jackson DM: Binding characteristics of remoxipride and its metabolites to dopamine D2 and D3 receptors. Eur J Pharmacol. 1993 Jul 6;238(1):121-5. doi: 10.1016/0014-2999(93)90515-j." Approved; Withdrawn Dimethoxybenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes "Bromobenzoates; Amides; Benzene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Benzamides and benzamide derivatives; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Acids, Carbocyclic; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Dopamine Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCN1CCC[C@H]1CNC(=O)C1=C(OC)C=CC(Br)=C1OC 46508689 PA164749051 DAP000312 Remoxipride CHEMBL22242 35350 DB00411 Carbamoylcholine BE0000560 CHRM2 P08172 ACM2_HUMAN agonist 15485827; 15333678; 12948933; 12505062; 16181410 "Peter JC, Wallukat G, Tugler J, Maurice D, Roegel JC, Briand JP, Hoebeke J: Modulation of the M2 muscarinic acetylcholine receptor activity with monoclonal anti-M2 receptor antibody fragments. J Biol Chem. 2004 Dec 31;279(53):55697-706. Epub 2004 Oct 14.@@May LT, Lin Y, Sexton PM, Christopoulos A: Regulation of M2 muscarinic acetylcholine receptor expression and signaling by prolonged exposure to allosteric modulators. J Pharmacol Exp Ther. 2005 Jan;312(1):382-90. Epub 2004 Aug 27.@@Sawatzky DA, Kingham PJ, Durcan N, McLean WG, Costello RW: Eosinophil-induced release of acetylcholine from differentiated cholinergic nerve cells. Am J Physiol Lung Cell Mol Physiol. 2003 Dec;285(6):L1296-304. Epub 2003 Aug 29.@@Sterin-Borda L, Joensen L, Bayo-Hanza C, Esteva M, Borda E: Therapeutic use of muscarinic acetylcholine receptor peptide to prevent mice chagasic cardiac dysfunction. J Mol Cell Cardiol. 2002 Dec;34(12):1645-54.@@Zuchner T, Schliebs R, Perez-Polo JR: Down-regulation of muscarinic acetylcholine receptor M2 adversely affects the expression of Alzheimer's disease-relevant genes and proteins. J Neurochem. 2005 Oct;95(1):20-32." Approved "Nitrogen Compounds; Quaternary Ammonium Compounds; Sensory System Agents; Amines; Trimethyl Ammonium Compounds; Miotics; Protective Agents; Cholinergic Agents; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; Alcohols; Antiglaucoma Preparations and Miotics; Choline Esters; Cardiotonic Agents; Parasympathomimetics; Cholinergic Receptor Agonist; Onium Compounds; Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Compounds used in a research, industrial, or household setting; Cholinergic Agonists; Parasympathomemetic (Cholinergic) Agents; Ophthalmologicals; Central Nervous System Agents; Neurotransmitter Agents; Ammonium Compounds; Ethanolamines; Nervous System; Sensory Organs" C[N+](C)(C)CCOC(N)=O 9622 46509115 D00524 PA448784 DAP000347 Carbachol CHEMBL965 1546387 DB00411 Carbamoylcholine BE0000045 CHRM3 P20309 ACM3_HUMAN agonist 20466821 "Stewart GD, Sexton PM, Christopoulos A: Prediction of functionally selective allosteric interactions at an M3 muscarinic acetylcholine receptor mutant using Saccharomyces cerevisiae. Mol Pharmacol. 2010 Aug;78(2):205-14. doi: 10.1124/mol.110.064253. Epub 2010 May 13." Approved "Nitrogen Compounds; Quaternary Ammonium Compounds; Sensory System Agents; Amines; Trimethyl Ammonium Compounds; Miotics; Protective Agents; Cholinergic Agents; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; Alcohols; Antiglaucoma Preparations and Miotics; Choline Esters; Cardiotonic Agents; Parasympathomimetics; Cholinergic Receptor Agonist; Onium Compounds; Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Compounds used in a research, industrial, or household setting; Cholinergic Agonists; Parasympathomemetic (Cholinergic) Agents; Ophthalmologicals; Central Nervous System Agents; Neurotransmitter Agents; Ammonium Compounds; Ethanolamines; Nervous System; Sensory Organs" C[N+](C)(C)CCOC(N)=O 9622 46509115 D00524 PA448784 DAP000347 Carbachol CHEMBL965 1546387 DB00412 Rosiglitazone BE0000215 PPARG P37231 PPARG_HUMAN agonist 10475242; 10548525; 10707565; 10764590; 10871190; 11752352 "Su JL, Winegar DA, Wisely GB, Sigel CS, Hull-Ryde EA: Use of a PPAR gamma-specific monoclonal antibody to demonstrate thiazolidinediones induce PPAR gamma receptor expression in vitro. Hybridoma. 1999 Jun;18(3):273-80.@@Rieusset J, Auwerx J, Vidal H: Regulation of gene expression by activation of the peroxisome proliferator-activated receptor gamma with rosiglitazone (BRL 49653) in human adipocytes. Biochem Biophys Res Commun. 1999 Nov;265(1):265-71.@@Kameda N, Okuya S, Oka Y: [Rosiglitazone (BRL-49653)]. Nihon Rinsho. 2000 Feb;58(2):401-4.@@Johnson BA, Wilson EM, Li Y, Moller DE, Smith RG, Zhou G: Ligand-induced stabilization of PPARgamma monitored by NMR spectroscopy: implications for nuclear receptor activation. J Mol Biol. 2000 Apr 28;298(2):187-94.@@Camp HS, Li O, Wise SC, Hong YH, Frankowski CL, Shen X, Vanbogelen R, Leff T: Differential activation of peroxisome proliferator-activated receptor-gamma by troglitazone and rosiglitazone. Diabetes. 2000 Apr;49(4):539-47.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Phenol ethers Organic compounds; Benzenoids; Phenol ethers Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Peroxisome Proliferator Receptor gamma Agonist; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); NTCP Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Cytochrome P-450 CYP3A Inducers; Sulfur Compounds; Peroxisome Proliferator-activated Receptor Activity; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1 Rosiglitazone Metabolism Pathway drug_metabolism 11925 46504556 D00596 PA451283 DAP000271 Rosiglitazone CHEMBL121 84108 DB00412 Rosiglitazone BE0000996 ACSL4 O60488 ACSL4_HUMAN inhibitor 17259370 "Askari B, Kanter JE, Sherrid AM, Golej DL, Bender AT, Liu J, Hsueh WA, Beavo JA, Coleman RA, Bornfeldt KE: Rosiglitazone inhibits acyl-CoA synthetase activity and fatty acid partitioning to diacylglycerol and triacylglycerol via a peroxisome proliferator-activated receptor-gamma-independent mechanism in human arterial smooth muscle cells and macrophages. Diabetes. 2007 Apr;56(4):1143-52. Epub 2007 Jan 26." Approved; Investigational Phenol ethers Organic compounds; Benzenoids; Phenol ethers Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Peroxisome Proliferator Receptor gamma Agonist; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); NTCP Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Cytochrome P-450 CYP3A Inducers; Sulfur Compounds; Peroxisome Proliferator-activated Receptor Activity; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1 Rosiglitazone Metabolism Pathway drug_metabolism 11925 46504556 D00596 PA451283 DAP000271 Rosiglitazone CHEMBL121 84108 DB00412 Rosiglitazone BE0000071 PPARA Q07869 PPARA_HUMAN 11779144; 15949695 "Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9.@@Drevon CA: Fatty acids and expression of adipokines. Biochim Biophys Acta. 2005 May 30;1740(2):287-92. Epub 2004 Dec 8." Approved; Investigational Phenol ethers Organic compounds; Benzenoids; Phenol ethers Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Peroxisome Proliferator Receptor gamma Agonist; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); NTCP Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Cytochrome P-450 CYP3A Inducers; Sulfur Compounds; Peroxisome Proliferator-activated Receptor Activity; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1 Rosiglitazone Metabolism Pathway drug_metabolism 11925 46504556 D00596 PA451283 DAP000271 Rosiglitazone CHEMBL121 84108 DB00412 Rosiglitazone BE0001007 PPARD Q03181 PPARD_HUMAN 11779144 "Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9." Approved; Investigational Phenol ethers Organic compounds; Benzenoids; Phenol ethers Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Peroxisome Proliferator Receptor gamma Agonist; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); NTCP Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Cytochrome P-450 CYP3A Inducers; Sulfur Compounds; Peroxisome Proliferator-activated Receptor Activity; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1 Rosiglitazone Metabolism Pathway drug_metabolism 11925 46504556 D00596 PA451283 DAP000271 Rosiglitazone CHEMBL121 84108 DB00412 Rosiglitazone BE0000412 RXRA P19793 RXRA_HUMAN 23843199 "Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11." Approved; Investigational Phenol ethers Organic compounds; Benzenoids; Phenol ethers Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Peroxisome Proliferator Receptor gamma Agonist; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); NTCP Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Cytochrome P-450 CYP3A Inducers; Sulfur Compounds; Peroxisome Proliferator-activated Receptor Activity; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1 Rosiglitazone Metabolism Pathway drug_metabolism 11925 46504556 D00596 PA451283 DAP000271 Rosiglitazone CHEMBL121 84108 DB00412 Rosiglitazone BE0000707 RXRG P48443 RXRG_HUMAN 23843199 "Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11." Approved; Investigational Phenol ethers Organic compounds; Benzenoids; Phenol ethers Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Peroxisome Proliferator Receptor gamma Agonist; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); NTCP Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Cytochrome P-450 CYP3A Inducers; Sulfur Compounds; Peroxisome Proliferator-activated Receptor Activity; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1 Rosiglitazone Metabolism Pathway drug_metabolism 11925 46504556 D00596 PA451283 DAP000271 Rosiglitazone CHEMBL121 84108 DB00413 Pramipexole BE0000581 DRD3 P35462 DRD3_HUMAN agonist 18248314; 9617505; 22023785; 9638397 "Merlino G, Serafini A, Robiony F, Valente M, Gigli GL: Clinical experience with pramipexole in the treatment of restless legs syndrome. Expert Opin Drug Metab Toxicol. 2008 Feb;4(2):225-35. doi: 10.1517/17425255.4.2.225.@@Piercey MF: Pharmacology of pramipexole, a dopamine D3-preferring agonist useful in treating Parkinson's disease. Clin Neuropharmacol. 1998 May-Jun;21(3):141-51.@@Chernoloz O, El Mansari M, Blier P: Long-term administration of the dopamine D3/2 receptor agonist pramipexole increases dopamine and serotonin neurotransmission in the male rat forebrain. J Psychiatry Neurosci. 2012 Feb;37(2):113-21. doi: 10.1503/jpn.110038.@@Dooley M, Markham A: Pramipexole. A review of its use in the management of early and advanced Parkinson's disease. Drugs Aging. 1998 Jun;12(6):495-514. doi: 10.2165/00002512-199812060-00007." Approved; Investigational Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Nonergot-derivative Dopamine Receptor Agonists; Antioxidants; Benzothiazoles; OCT2 Substrates; Hypotensive Agents; OCT1 substrates; Thiazoles; Drugs that are Mainly Renally Excreted; Biological Factors; Anti-Parkinson Drugs; Heterocyclic Compounds, Fused-Ring; Restless Legs Syndrome; Dopamine Agonists; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents; Anti-Dyskinesia Agents" CCCN[C@H]1CCC2=C(C1)SC(N)=N2 11733 46505897 D00559 PA164742949 DAP000019 Pramipexole CHEMBL301265 746741 DB00415 Ampicillin BE0001018 SLC15A1 P46059 S15A1_HUMAN 15567297 "Luckner P, Brandsch M: Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1. Eur J Pharm Biopharm. 2005 Jan;59(1):17-24." Approved; Vet_approved Penicillins Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams "beta-Lactams; Beta-Lactam Antibacterials; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Lactams; Ophthalmologicals; Aminopenicillins; Anti-Bacterial Agents; Antibacterials for Systemic Use; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Penicillin G; Penicillins; Penicillins With Extended Spectrum; Antiinfectives for Systemic Use; Sensory Organs" [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O 8448 46505346 D00204 PA448419 DAP000432 Ampicillin CHEMBL174 221058 DB00415 Ampicillin BE0001134 SLC15A2 Q16348 S15A2_HUMAN 21741846 "Pedretti A, De Luca L, Marconi C, Regazzoni L, Aldini G, Vistoli G: Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping. Bioorg Med Chem. 2011 Aug 1;19(15):4544-51. doi: 10.1016/j.bmc.2011.06.027. Epub 2011 Jun 16." Approved; Vet_approved Penicillins Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams "beta-Lactams; Beta-Lactam Antibacterials; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Lactams; Ophthalmologicals; Aminopenicillins; Anti-Bacterial Agents; Antibacterials for Systemic Use; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Penicillin G; Penicillins; Penicillins With Extended Spectrum; Antiinfectives for Systemic Use; Sensory Organs" [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O 8448 46505346 D00204 PA448419 DAP000432 Ampicillin CHEMBL174 221058 DB00417 Phenoxymethylpenicillin BE0001018 SLC15A1 P46059 S15A1_HUMAN 15974593 "Biegel A, Gebauer S, Hartrodt B, Brandsch M, Neubert K, Thondorf I: Three-dimensional quantitative structure-activity relationship analyses of beta-lactam antibiotics and tripeptides as substrates of the mammalian H+/peptide cotransporter PEPT1. J Med Chem. 2005 Jun 30;48(13):4410-9." Approved; Vet_approved Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Aza Compounds; beta-Lactams; Beta-Lactam Antibacterials; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Lactams; Beta-Lactamase Sensitive Penicillins; Anti-Bacterial Agents; Antibacterials for Systemic Use; Sulfur Compounds; Amides; Penicillin G; Natural Penicillins; Penicillins; Antiinfectives for Systemic Use; Azabicyclo Compounds" [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC1=CC=CC=C1)C(O)=O 8410 46507164 D05411 PA164745442 DAP001165 Phenoxymethylpenicillin CHEMBL615 7984 DB00418 Secobarbital BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 11264449; 10209232 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217." Approved; Vet_approved Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; GABA Modulators; Cytochrome P-450 CYP2C8 Inducers (strong); Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Anticonvulsants" CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O 8237 46508708 D00430 PA164784035 DAP000674 Secobarbital CHEMBL447 9624 DB00418 Secobarbital BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 14579514; 10209232; 11264449; 10487207; 2850060; 2906155; 3006661; 11752352; 17139284; 17016423 "Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Peters JA, Kirkness EF, Callachan H, Lambert JJ, Turner AJ: Modulation of the GABAA receptor by depressant barbiturates and pregnane steroids. Br J Pharmacol. 1988 Aug;94(4):1257-69.@@Miller LG, Deutsch SI, Greenblatt DJ, Paul SM, Shader RI: Acute barbiturate administration increases benzodiazepine receptor binding in vivo. Psychopharmacology (Berl). 1988;96(3):385-90.@@Kirkness EF, Turner AJ: The gamma-aminobutyrate/benzodiazepine receptor from pig brain. Purification and characterization of the receptor complex from cerebral cortex and cerebellum. Biochem J. 1986 Jan 1;233(1):265-70.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Vet_approved Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; GABA Modulators; Cytochrome P-450 CYP2C8 Inducers (strong); Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Anticonvulsants" CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O 8237 46508708 D00430 PA164784035 DAP000674 Secobarbital CHEMBL447 9624 DB00418 Secobarbital BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 11264449; 16248797; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Vet_approved Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; GABA Modulators; Cytochrome P-450 CYP2C8 Inducers (strong); Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Anticonvulsants" CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O 8237 46508708 D00430 PA164784035 DAP000674 Secobarbital CHEMBL447 9624 DB00418 Secobarbital BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Vet_approved Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; GABA Modulators; Cytochrome P-450 CYP2C8 Inducers (strong); Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Anticonvulsants" CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O 8237 46508708 D00430 PA164784035 DAP000674 Secobarbital CHEMBL447 9624 DB00418 Secobarbital BE0000826 GRIK2 Q13002 GRIK2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Vet_approved Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; GABA Modulators; Cytochrome P-450 CYP2C8 Inducers (strong); Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Anticonvulsants" CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O 8237 46508708 D00430 PA164784035 DAP000674 Secobarbital CHEMBL447 9624 DB00419 Miglustat BE0000477 UGCG Q16739 CEGT_HUMAN inhibitor 12803929; 16247743; 17603755; 17624027; 18728838; 19956552; 18221193; 14609352; 16627252; 11752352 "Moyses C: Substrate reduction therapy: clinical evaluation in type 1 Gaucher disease. Philos Trans R Soc Lond B Biol Sci. 2003 May 29;358(1433):955-60.@@Weinreb NJ, Barranger JA, Charrow J, Grabowski GA, Mankin HJ, Mistry P: Guidance on the use of miglustat for treating patients with type 1 Gaucher disease. Am J Hematol. 2005 Nov;80(3):223-9.@@Chien YH, Lee NC, Tsai LK, Huang AC, Peng SF, Chen SJ, Hwu WL: Treatment of Niemann-Pick disease type C in two children with miglustat: initial responses and maintenance of effects over 1 year. J Inherit Metab Dis. 2007 Oct;30(5):826. Epub 2007 Jun 21.@@Treiber A, Morand O, Clozel M: The pharmacokinetics and tissue distribution of the glucosylceramide synthase inhibitor miglustat in the rat. Xenobiotica. 2007 Mar;37(3):298-314.@@Ficicioglu C: Review of miglustat for clinical management in Gaucher disease type 1. Ther Clin Risk Manag. 2008 Apr;4(2):425-31.@@Wraith JE, Imrie J: New therapies in the management of Niemann-Pick type C disease: clinical utility of miglustat. Ther Clin Risk Manag. 2009;5:877-87. Epub 2009 Nov 18.@@Pastores GM: Miglustat: substrate reduction therapy for lysosomal storage disorders associated with primary central nervous system involvement. Recent Pat CNS Drug Discov. 2006 Jan;1(1):77-82.@@McCormack PL, Goa KL: Miglustat. Drugs. 2003;63(22):2427-34; discussion 2435-6.@@Giraldo P, Latre P, Alfonso P, Acedo A, Alonso D, Barez A, Corrales A, Franco R, Roldan V, Serrano S, Pocovi M: Short-term effect of miglustat in every day clinical use in treatment-naive or previously treated patients with type 1 Gaucher's disease. Haematologica. 2006 May;91(5):703-6. Epub 2006 Apr 19.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Piperidines Organic compounds; Organoheterocyclic compounds; Piperidines Imino Pyranoses; Anti-Infective Agents; Piperidines; Glucosylceramide Synthase Inhibitor; Enzyme Stabilizer; Glycoside Hydrolase Inhibitors; Enzyme Inhibitors; Carbohydrates; Imines; Glucosylceramide Synthase Inhibitors; Alkaloids; Anti-HIV Agents; Gaucher Disease; Other Miscellaneous Therapeutic Agents; Various Alimentary Tract and Metabolism Products; Alimentary Tract and Metabolism; Imino Sugars CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO 13313 46506350 D05032 PA10140 DAP000609 Miglustat CHEMBL1029 402316 DB00420 Promazine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 19110200 "Kim DH, Maneen MJ, Stahl SM: Building a better antipsychotic: receptor targets for the treatment of multiple symptom dimensions of schizophrenia. Neurotherapeutics. 2009 Jan;6(1):78-85. doi: 10.1016/j.nurt.2008.10.020." Approved; Vet_approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Amino Acids, Peptides, and Proteins; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Amino Acids, Branched-Chain; Cytochrome P-450 CYP1A2 Inhibitors; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Amino Acids; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12 8033 46504504 D08430 PA451126 DAP000430 Promazine CHEMBL564 8742 DB00420 Promazine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 2899826; 19110200 "Hals PA, Hall H, Dahl SG: Muscarinic cholinergic and histamine H1 receptor binding of phenothiazine drug metabolites. Life Sci. 1988;43(5):405-12.@@Kim DH, Maneen MJ, Stahl SM: Building a better antipsychotic: receptor targets for the treatment of multiple symptom dimensions of schizophrenia. Neurotherapeutics. 2009 Jan;6(1):78-85. doi: 10.1016/j.nurt.2008.10.020." Approved; Vet_approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Amino Acids, Peptides, and Proteins; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Amino Acids, Branched-Chain; Cytochrome P-450 CYP1A2 Inhibitors; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Amino Acids; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12 8033 46504504 D08430 PA451126 DAP000430 Promazine CHEMBL564 8742 DB00421 Spironolactone BE0000668 NR3C2 P08235 MCR_HUMAN antagonist 11791081; 14664717; 14978157; 15128471; 15554912; 11752352; 15947888; 15808807 "Sitruk-Ware R: Progestogens in hormonal replacement therapy: new molecules, risks, and benefits. Menopause. 2002 Jan-Feb;9(1):6-15.@@Rogerson FM, Yao YZ, Smith BJ, Dimopoulos N, Fuller PJ: Determinants of spironolactone binding specificity in the mineralocorticoid receptor. J Mol Endocrinol. 2003 Dec;31(3):573-82.@@Gertner RA, Klein JD, Bailey JL, Kim DU, Luo XH, Bagnasco SM, Sands JM: Aldosterone decreases UT-A1 urea transporter expression via the mineralocorticoid receptor. J Am Soc Nephrol. 2004 Mar;15(3):558-65.@@Frishman WH, Stier CT Jr: Aldosterone and aldosterone antagonism in systemic hypertension. Curr Hypertens Rep. 2004 Jun;6(3):195-200.@@Rogerson FM, Yao Y, Smith BJ, Fuller PJ: Differences in the determinants of eplerenone, spironolactone and aldosterone binding to the mineralocorticoid receptor. Clin Exp Pharmacol Physiol. 2004 Oct;31(10):704-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Sica DA: Pharmacokinetics and pharmacodynamics of mineralocorticoid blocking agents and their effects on potassium homeostasis. Heart Fail Rev. 2005 Jan;10(1):23-9. doi: 10.1007/s10741-005-2345-1.@@Rossi G, Boscaro M, Ronconi V, Funder JW: Aldosterone as a cardiovascular risk factor. Trends Endocrinol Metab. 2005 Apr;16(3):104-7." Approved Spironolactones and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Mineralocorticoid (Aldosterone) Receptor Antagonists; Pregnenes; Antihypertensive Agents; P-glycoprotein inducers; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Steroids; Fused-Ring Compounds; Potassium-Sparing Diuretics; Diuretics; Lactones; BSEP/ABCB11 Substrates; Natriuretic Agents; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O Spironolactone Action Pathway drug_action 7408 46508525 D00443 PA451483 DAP000297 Spironolactone CHEMBL1393 9997 DB00421 Spironolactone BE0000794 NR3C1 P04150 GCR_HUMAN antagonist 20650892; 14664717 "Fagart J, Hillisch A, Huyet J, Barfacker L, Fay M, Pleiss U, Pook E, Schafer S, Rafestin-Oblin ME, Kolkhof P: A new mode of mineralocorticoid receptor antagonism by a potent and selective nonsteroidal molecule. J Biol Chem. 2010 Sep 24;285(39):29932-40. doi: 10.1074/jbc.M110.131342. Epub 2010 Jul 22.@@Rogerson FM, Yao YZ, Smith BJ, Dimopoulos N, Fuller PJ: Determinants of spironolactone binding specificity in the mineralocorticoid receptor. J Mol Endocrinol. 2003 Dec;31(3):573-82." Approved Spironolactones and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Mineralocorticoid (Aldosterone) Receptor Antagonists; Pregnenes; Antihypertensive Agents; P-glycoprotein inducers; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Steroids; Fused-Ring Compounds; Potassium-Sparing Diuretics; Diuretics; Lactones; BSEP/ABCB11 Substrates; Natriuretic Agents; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O Spironolactone Action Pathway drug_action 7408 46508525 D00443 PA451483 DAP000297 Spironolactone CHEMBL1393 9997 DB00421 Spironolactone BE0000132 AR P10275 ANDR_HUMAN antagonist 18819053; 15947888; 28024992; 32119308 "Ye P, Yamashita T, Pollock DM, Sasano H, Rainey WE: Contrasting effects of eplerenone and spironolactone on adrenal cell steroidogenesis. Horm Metab Res. 2009 Jan;41(1):35-9. doi: 10.1055/s-0028-1087188. Epub 2008 Sep 25.@@Sica DA: Pharmacokinetics and pharmacodynamics of mineralocorticoid blocking agents and their effects on potassium homeostasis. Heart Fail Rev. 2005 Jan;10(1):23-9. doi: 10.1007/s10741-005-2345-1.@@Carone L, Oxberry SG, Twycross R, Charlesworth S, Mihalyo M, Wilcock A: Spironolactone. J Pain Symptom Manage. 2017 Feb;53(2):288-292. doi: 10.1016/j.jpainsymman.2016.12.320. Epub 2016 Dec 23.@@Patibandla S, Heaton J, Kyaw H: Spironolactone. ." Approved Spironolactones and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Mineralocorticoid (Aldosterone) Receptor Antagonists; Pregnenes; Antihypertensive Agents; P-glycoprotein inducers; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Steroids; Fused-Ring Compounds; Potassium-Sparing Diuretics; Diuretics; Lactones; BSEP/ABCB11 Substrates; Natriuretic Agents; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O Spironolactone Action Pathway drug_action 7408 46508525 D00443 PA451483 DAP000297 Spironolactone CHEMBL1393 9997 DB00421 Spironolactone BE0000557 PGR P06401 PRGR_HUMAN agonist 20650892; 6849751 "Fagart J, Hillisch A, Huyet J, Barfacker L, Fay M, Pleiss U, Pook E, Schafer S, Rafestin-Oblin ME, Kolkhof P: A new mode of mineralocorticoid receptor antagonism by a potent and selective nonsteroidal molecule. J Biol Chem. 2010 Sep 24;285(39):29932-40. doi: 10.1074/jbc.M110.131342. Epub 2010 Jul 22.@@Fernandez MD, Carter GD, Palmer TN: The interaction of canrenone with oestrogen and progesterone receptors in human uterine cytosol. Br J Clin Pharmacol. 1983 Jan;15(1):95-101. doi: 10.1111/j.1365-2125.1983.tb01470.x." Approved Spironolactones and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Mineralocorticoid (Aldosterone) Receptor Antagonists; Pregnenes; Antihypertensive Agents; P-glycoprotein inducers; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Steroids; Fused-Ring Compounds; Potassium-Sparing Diuretics; Diuretics; Lactones; BSEP/ABCB11 Substrates; Natriuretic Agents; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O Spironolactone Action Pathway drug_action 7408 46508525 D00443 PA451483 DAP000297 Spironolactone CHEMBL1393 9997 DB00421 Spironolactone BE0010245 ESR1 Q92731 ESR2_HUMAN agonist 6849751; 7391714 "Fernandez MD, Carter GD, Palmer TN: The interaction of canrenone with oestrogen and progesterone receptors in human uterine cytosol. Br J Clin Pharmacol. 1983 Jan;15(1):95-101. doi: 10.1111/j.1365-2125.1983.tb01470.x.@@Levy J, Burshell A, Marbach M, Afllalo L, Glick SM: Interaction of spironolactone with oestradiol receptors in cytosol. J Endocrinol. 1980 Mar;84(3):371-9. doi: 10.1677/joe.0.0840371." Approved Spironolactones and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Mineralocorticoid (Aldosterone) Receptor Antagonists; Pregnenes; Antihypertensive Agents; P-glycoprotein inducers; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Steroids; Fused-Ring Compounds; Potassium-Sparing Diuretics; Diuretics; Lactones; BSEP/ABCB11 Substrates; Natriuretic Agents; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O Spironolactone Action Pathway drug_action 7408 46508525 D00443 PA451483 DAP000297 Spironolactone CHEMBL1393 9997 DB00421 Spironolactone BE0008715 CACNA1C O00555 CAC1A_HUMAN inhibitor 10942165; 3427267; 2162139 "Sorrentino R, Autore G, Cirino G, d'Emmanuele de Villa Bianca R, Calignano A, Vanasia M, Alfieri C, Sorrentino L, Pinto A: Effect of spironolactone and its metabolites on contractile property of isolated rat aorta rings. J Cardiovasc Pharmacol. 2000 Aug;36(2):230-5.@@Dacquet C, Loirand G, Mironneau C, Mironneau J, Pacaud P: Spironolactone inhibition of contraction and calcium channels in rat portal vein. Br J Pharmacol. 1987 Nov;92(3):535-44. doi: 10.1111/j.1476-5381.1987.tb11354.x.@@Mironneau J: Calcium channel antagonist effects of spironolactone, an aldosterone antagonist. Am J Cardiol. 1990 Jun 19;65(23):7K-8K; discussion 3K. doi: 10.1016/0002-9149(90)91267-a." Approved Spironolactones and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Mineralocorticoid (Aldosterone) Receptor Antagonists; Pregnenes; Antihypertensive Agents; P-glycoprotein inducers; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Steroids; Fused-Ring Compounds; Potassium-Sparing Diuretics; Diuretics; Lactones; BSEP/ABCB11 Substrates; Natriuretic Agents; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O Spironolactone Action Pathway drug_action 7408 46508525 D00443 PA451483 DAP000297 Spironolactone CHEMBL1393 9997 DB00424 Hyoscyamine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 17139284; 17016423; 11495349 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lysikova M, Havlas Z, Tucek S: Interactions between allosteric modulators and 4-DAMP and other antagonists at muscarinic receptors: potential significance of the distance between the N and carboxyl C atoms in the molecules of antagonists. Neurochem Res. 2001 Apr;26(4):383-94." Approved Tropane alkaloids Organic compounds; Alkaloids and derivatives; Tropane alkaloids "QTc Prolonging Agents; Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cardiovascular Agents; Belladonna and Derivatives, Plain; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Alimentary Tract and Metabolism; Tropanes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Mydriatics; Respiratory System Agents; Atropine Derivatives; Peripheral Nervous System Agents; Belladonna Alkaloids; Parasympatholytics; Adjuvants, Anesthesia; Antiarrhythmic agents; Muscarinic Antagonists; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Belladonna Alkaloids, Tertiary Amines" CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1 8978 46507345 D00147 PA164776844 DNC000758 Hyoscyamine CHEMBL1331216 153970 DB00424 Hyoscyamine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 11495349 "Lysikova M, Havlas Z, Tucek S: Interactions between allosteric modulators and 4-DAMP and other antagonists at muscarinic receptors: potential significance of the distance between the N and carboxyl C atoms in the molecules of antagonists. Neurochem Res. 2001 Apr;26(4):383-94." Approved Tropane alkaloids Organic compounds; Alkaloids and derivatives; Tropane alkaloids "QTc Prolonging Agents; Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cardiovascular Agents; Belladonna and Derivatives, Plain; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Alimentary Tract and Metabolism; Tropanes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Mydriatics; Respiratory System Agents; Atropine Derivatives; Peripheral Nervous System Agents; Belladonna Alkaloids; Parasympatholytics; Adjuvants, Anesthesia; Antiarrhythmic agents; Muscarinic Antagonists; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Belladonna Alkaloids, Tertiary Amines" CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1 8978 46507345 D00147 PA164776844 DNC000758 Hyoscyamine CHEMBL1331216 153970 DB00424 Hyoscyamine BE0000269 ADCY1 Q08828 ADCY1_HUMAN inhibitor 12108922 "Ricny J, Gualtieri F, Tucek S: Constitutive inhibitory action of muscarinic receptors on adenylyl cyclase in cardiac membranes and its stereospecific suppression by hyoscyamine. Physiol Res. 2002;51(2):131-7." Approved Tropane alkaloids Organic compounds; Alkaloids and derivatives; Tropane alkaloids "QTc Prolonging Agents; Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cardiovascular Agents; Belladonna and Derivatives, Plain; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Alimentary Tract and Metabolism; Tropanes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Mydriatics; Respiratory System Agents; Atropine Derivatives; Peripheral Nervous System Agents; Belladonna Alkaloids; Parasympatholytics; Adjuvants, Anesthesia; Antiarrhythmic agents; Muscarinic Antagonists; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Belladonna Alkaloids, Tertiary Amines" CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1 8978 46507345 D00147 PA164776844 DNC000758 Hyoscyamine CHEMBL1331216 153970 DB00425 Zolpidem BE0000795 GABRA1 P14867 GBRA1_HUMAN agonist 19345234; 11306694; 2157817; 1093783; 21353710 "Vlainic J, Pericic D: Effects of acute and repeated zolpidem treatment on pentylenetetrazole-induced seizure threshold and on locomotor activity: comparison with diazepam. Neuropharmacology. 2009 Jun;56(8):1124-30. doi: 10.1016/j.neuropharm.2009.03.010. Epub 2009 Apr 1.@@Smith AJ, Alder L, Silk J, Adkins C, Fletcher AE, Scales T, Kerby J, Marshall G, Wafford KA, McKernan RM, Atack JR: Effect of alpha subunit on allosteric modulation of ion channel function in stably expressed human recombinant gamma-aminobutyric acid(A) receptors determined using (36)Cl ion flux. Mol Pharmacol. 2001 May;59(5):1108-18.@@Pritchett DB, Seeburg PH: Gamma-aminobutyric acidA receptor alpha 5-subunit creates novel type II benzodiazepine receptor pharmacology. J Neurochem. 1990 May;54(5):1802-4.@@Sramka M, Nadvornik P: Surgical complication of posterior hypothalamotomy. Confin Neurol. 1975;37(1-3):193-4.@@Tan KR, Rudolph U, Luscher C: Hooked on benzodiazepines: GABAA receptor subtypes and addiction. Trends Neurosci. 2011 Apr;34(4):188-97. doi: 10.1016/j.tins.2011.01.004. Epub 2011 Feb 25." Approved Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles "GABA Agonists; Central Nervous System Depression; Cytochrome P-450 CYP3A Substrates; Pyridines; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Hypnotics (Nonbenzodiazepine); Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Miscellaneous Anxiolytics Sedatives and Hypnotics; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; gamma-Aminobutyric Acid A Receptor Positive Modulator; Nervous System; GABA-A Receptor Agonists; Cytochrome P-450 CYP1A2 Substrates; gamma-Aminobutyric Acid-ergic Agonist" CN(C)C(=O)CC1=C(N=C2C=CC(C)=CN12)C1=CC=C(C)C=C1 933 46507949 PA451976 DAP000112 Zolpidem CHEMBL911 39993 DB00425 Zolpidem BE0000381 GABRA2 P47869 GBRA2_HUMAN agonist 2157817; 11306694; 19345234; 11090095; 21353710 "Pritchett DB, Seeburg PH: Gamma-aminobutyric acidA receptor alpha 5-subunit creates novel type II benzodiazepine receptor pharmacology. J Neurochem. 1990 May;54(5):1802-4.@@Smith AJ, Alder L, Silk J, Adkins C, Fletcher AE, Scales T, Kerby J, Marshall G, Wafford KA, McKernan RM, Atack JR: Effect of alpha subunit on allosteric modulation of ion channel function in stably expressed human recombinant gamma-aminobutyric acid(A) receptors determined using (36)Cl ion flux. Mol Pharmacol. 2001 May;59(5):1108-18.@@Vlainic J, Pericic D: Effects of acute and repeated zolpidem treatment on pentylenetetrazole-induced seizure threshold and on locomotor activity: comparison with diazepam. Neuropharmacology. 2009 Jun;56(8):1124-30. doi: 10.1016/j.neuropharm.2009.03.010. Epub 2009 Apr 1.@@Crestani F, Martin JR, Mohler H, Rudolph U: Mechanism of action of the hypnotic zolpidem in vivo. Br J Pharmacol. 2000 Dec;131(7):1251-4. doi: 10.1038/sj.bjp.0703717.@@Tan KR, Rudolph U, Luscher C: Hooked on benzodiazepines: GABAA receptor subtypes and addiction. Trends Neurosci. 2011 Apr;34(4):188-97. doi: 10.1016/j.tins.2011.01.004. Epub 2011 Feb 25." Approved Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles "GABA Agonists; Central Nervous System Depression; Cytochrome P-450 CYP3A Substrates; Pyridines; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Hypnotics (Nonbenzodiazepine); Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Miscellaneous Anxiolytics Sedatives and Hypnotics; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; gamma-Aminobutyric Acid A Receptor Positive Modulator; Nervous System; GABA-A Receptor Agonists; Cytochrome P-450 CYP1A2 Substrates; gamma-Aminobutyric Acid-ergic Agonist" CN(C)C(=O)CC1=C(N=C2C=CC(C)=CN12)C1=CC=C(C)C=C1 933 46507949 PA451976 DAP000112 Zolpidem CHEMBL911 39993 DB00427 Triprolidine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 7214150; 3011460; 10493107; 8907591; 7853212; 10582735; 2568212; 7913608; 2866055; 11752352 "Peroutka SJ, Snyder SH: Two distinct serotonin receptors: regional variations in receptor binding in mammalian brain. Brain Res. 1981 Mar 16;208(2):339-47.@@Claro E, Arbones L, Garcia A, Picatoste F: Phosphoinositide hydrolysis mediated by histamine H1-receptors in rat brain cortex. Eur J Pharmacol. 1986 Apr 16;123(2):187-96.@@Kuzmin AI, Zaretsky DV, Kalenikova EI, Zaretskaja MV, Medvedev OS, Chazov EI: The effect of histamine receptor antagonists on stress-induced catecholamine secretion: an adrenomedullary microdialysis study in the rat. Eur J Pharmacol. 1999 Aug 13;378(3):311-6.@@Ziganshina LE, Ziganshin AU, Hoyle CH, Burnstock G: Acute paw oedema formation induced by ATP: re-evaluation of the mechanisms involved. Inflamm Res. 1996 Feb;45(2):96-102.@@Hiroi T, Ohishi N, Imaoka S, Yabusaki Y, Fukui H, Funae Y: Mepyramine, a histamine H1 receptor antagonist, inhibits the metabolic activity of rat and human P450 2D forms. J Pharmacol Exp Ther. 1995 Feb;272(2):939-44.@@Estelle F, Simons R: H1-receptor antagonists: safety issues. Ann Allergy Asthma Immunol. 1999 Nov;83(5):481-8.@@Mann KV, Crowe JP, Tietze KJ: Nonsedating histamine H1-receptor antagonists. Clin Pharm. 1989 May;8(5):331-44.@@Simons FE: H1-receptor antagonists. Comparative tolerability and safety. Drug Saf. 1994 May;10(5):350-80.@@Paton DM, Webster DR: Clinical pharmacokinetics of H1-receptor antagonists (the antihistamines). Clin Pharmacokinet. 1985 Nov-Dec;10(6):477-97.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Styrenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Styrenes Potential QTc-Prolonging Agents; Anti-Allergic Agents; QTc Prolonging Agents; Central Nervous System Depressants; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents; Pyridines CC1=CC=C(C=C1)C(=C/CN1CCCC1)\C1=CC=CC=N1 Triprolidine H1-Antihistamine Action drug_action 6494 46505403 D01782 PA451797 DAP001065 Triprolidine CHEMBL855 10849 DB00428 Streptozocin BE0005827 MGEA5 O60502 OGA_HUMAN 18721751 "Pathak S, Dorfmueller HC, Borodkin VS, van Aalten DM: Chemical dissection of the link between streptozotocin, O-GlcNAc, and pancreatic cell death. Chem Biol. 2008 Aug 25;15(8):799-807. doi: 10.1016/j.chembiol.2008.06.010." Approved; Investigational Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Nitroso Compounds; Myelosuppressive Agents; Glycosides; Alkylating Activity; Carbohydrates; Cytochrome P-450 CYP1A2 Inducers; P-glycoprotein inducers; Amides; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Nitrosourea Compounds; Antineoplastic Agents; Nitrosoureas; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Antibiotics, Antineoplastic; Antineoplastic Agents, Alkylating; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Alkylating Drugs; Narrow Therapeutic Index Drugs" CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 8564 46508872 D05932 PA451514 DAP000984 Streptozotocin CHEMBL1603 10114 DB00431 Lindane BE0002344 GABRB1 P18505 GBRB1_HUMAN antagonist 17139284; 17016423; 7885191; 12645305; 9530529; 7566682; 14635176; 8841090; 10592235; 12614680; 20600211 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Cole LM, Roush RT, Casida JE: Drosophila GABA-gated chloride channel: modified [3H]EBOB binding site associated with Ala-->Ser or Gly mutants of Rdl subunit. Life Sci. 1995;56(10):757-65.@@Sauviat MP, Pages N: [Cardiotoxicity of lindane, a gamma isomer of hexachlorocyclohexane]. J Soc Biol. 2002;196(4):339-48.@@Anand M, Agrawal AK, Rehmani BN, Gupta GS, Rana MD, Seth PK: Role of GABA receptor complex in low dose lindane (HCH) induced neurotoxicity: neurobehavioural, neurochemical and electrophysiological studies. Drug Chem Toxicol. 1998 Feb;21(1):35-46.@@Joy RM, Walby WF, Stark LG, Albertson TE: Lindane blocks GABAA-mediated inhibition and modulates pyramidal cell excitability in the rat hippocampal slice. Neurotoxicology. 1995 Summer;16(2):217-28.@@Bloomquist JR: Chloride channels as tools for developing selective insecticides. Arch Insect Biochem Physiol. 2003 Dec;54(4):145-56.@@Narahashi T: Neuronal ion channels as the target sites of insecticides. Pharmacol Toxicol. 1996 Jul;79(1):1-14.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Vale C, Fonfria E, Bujons J, Messeguer A, Rodriguez-Farre E, Sunol C: The organochlorine pesticides gamma-hexachlorocyclohexane (lindane), alpha-endosulfan and dieldrin differentially interact with GABA(A) and glycine-gated chloride channels in primary cultures of cerebellar granule cells. Neuroscience. 2003;117(2):397-403.@@Heusinkveld HJ, Thomas GO, Lamot I, van den Berg M, Kroese AB, Westerink RH: Dual actions of lindane (gamma-hexachlorocyclohexane) on calcium homeostasis and exocytosis in rat PC12 cells. Toxicol Appl Pharmacol. 2010 Oct 1;248(1):12-9. doi: 10.1016/j.taap.2010.06.013. Epub 2010 Jun 21." Approved; Withdrawn Cyclohexyl halides Organic compounds; Organohalogen compounds; Alkyl halides; Cyclohexyl halides "Hydrocarbons, Halogenated; Agents that reduce seizure threshold; Antiparasitic Products, Insecticides and Repellents; Pesticides; Agrochemicals; Chlorine Containing Products; Ectoparasiticides, Incl. Scabicides; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Hydrocarbons, Chlorinated; Insecticides; Compounds used in a research, industrial, or household setting" Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl 6327 46508542 D00360 PA164754914 DAP001036 Lindane CHEMBL15891 1388 DB00431 Lindane BE0000433 GLRA1 P23415 GLRA1_HUMAN antagonist 12614680; 20600211 "Vale C, Fonfria E, Bujons J, Messeguer A, Rodriguez-Farre E, Sunol C: The organochlorine pesticides gamma-hexachlorocyclohexane (lindane), alpha-endosulfan and dieldrin differentially interact with GABA(A) and glycine-gated chloride channels in primary cultures of cerebellar granule cells. Neuroscience. 2003;117(2):397-403.@@Heusinkveld HJ, Thomas GO, Lamot I, van den Berg M, Kroese AB, Westerink RH: Dual actions of lindane (gamma-hexachlorocyclohexane) on calcium homeostasis and exocytosis in rat PC12 cells. Toxicol Appl Pharmacol. 2010 Oct 1;248(1):12-9. doi: 10.1016/j.taap.2010.06.013. Epub 2010 Jun 21." Approved; Withdrawn Cyclohexyl halides Organic compounds; Organohalogen compounds; Alkyl halides; Cyclohexyl halides "Hydrocarbons, Halogenated; Agents that reduce seizure threshold; Antiparasitic Products, Insecticides and Repellents; Pesticides; Agrochemicals; Chlorine Containing Products; Ectoparasiticides, Incl. Scabicides; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Hydrocarbons, Chlorinated; Insecticides; Compounds used in a research, industrial, or household setting" Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl 6327 46508542 D00360 PA164754914 DAP001036 Lindane CHEMBL15891 1388 DB00431 Lindane BE0000745 GLRA2 P23416 GLRA2_HUMAN antagonist 12614680; 20600211 "Vale C, Fonfria E, Bujons J, Messeguer A, Rodriguez-Farre E, Sunol C: The organochlorine pesticides gamma-hexachlorocyclohexane (lindane), alpha-endosulfan and dieldrin differentially interact with GABA(A) and glycine-gated chloride channels in primary cultures of cerebellar granule cells. Neuroscience. 2003;117(2):397-403.@@Heusinkveld HJ, Thomas GO, Lamot I, van den Berg M, Kroese AB, Westerink RH: Dual actions of lindane (gamma-hexachlorocyclohexane) on calcium homeostasis and exocytosis in rat PC12 cells. Toxicol Appl Pharmacol. 2010 Oct 1;248(1):12-9. doi: 10.1016/j.taap.2010.06.013. Epub 2010 Jun 21." Approved; Withdrawn Cyclohexyl halides Organic compounds; Organohalogen compounds; Alkyl halides; Cyclohexyl halides "Hydrocarbons, Halogenated; Agents that reduce seizure threshold; Antiparasitic Products, Insecticides and Repellents; Pesticides; Agrochemicals; Chlorine Containing Products; Ectoparasiticides, Incl. Scabicides; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Hydrocarbons, Chlorinated; Insecticides; Compounds used in a research, industrial, or household setting" Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl 6327 46508542 D00360 PA164754914 DAP001036 Lindane CHEMBL15891 1388 DB00431 Lindane BE0000414 GLRA3 O75311 GLRA3_HUMAN antagonist 12614680; 20600211 "Vale C, Fonfria E, Bujons J, Messeguer A, Rodriguez-Farre E, Sunol C: The organochlorine pesticides gamma-hexachlorocyclohexane (lindane), alpha-endosulfan and dieldrin differentially interact with GABA(A) and glycine-gated chloride channels in primary cultures of cerebellar granule cells. Neuroscience. 2003;117(2):397-403.@@Heusinkveld HJ, Thomas GO, Lamot I, van den Berg M, Kroese AB, Westerink RH: Dual actions of lindane (gamma-hexachlorocyclohexane) on calcium homeostasis and exocytosis in rat PC12 cells. Toxicol Appl Pharmacol. 2010 Oct 1;248(1):12-9. doi: 10.1016/j.taap.2010.06.013. Epub 2010 Jun 21." Approved; Withdrawn Cyclohexyl halides Organic compounds; Organohalogen compounds; Alkyl halides; Cyclohexyl halides "Hydrocarbons, Halogenated; Agents that reduce seizure threshold; Antiparasitic Products, Insecticides and Repellents; Pesticides; Agrochemicals; Chlorine Containing Products; Ectoparasiticides, Incl. Scabicides; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Hydrocarbons, Chlorinated; Insecticides; Compounds used in a research, industrial, or household setting" Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl 6327 46508542 D00360 PA164754914 DAP001036 Lindane CHEMBL15891 1388 DB00431 Lindane BE0002345 GABRB3 P28472 GBRB3_HUMAN 11489356; 16537435 "Ratra GS, Casida JE: GABA receptor subunit composition relative to insecticide potency and selectivity. Toxicol Lett. 2001 Jul 6;122(3):215-22.@@Chen L, Durkin KA, Casida JE: Structural model for gamma-aminobutyric acid receptor noncompetitive antagonist binding: widely diverse structures fit the same site. Proc Natl Acad Sci U S A. 2006 Mar 28;103(13):5185-90. Epub 2006 Mar 10." Approved; Withdrawn Cyclohexyl halides Organic compounds; Organohalogen compounds; Alkyl halides; Cyclohexyl halides "Hydrocarbons, Halogenated; Agents that reduce seizure threshold; Antiparasitic Products, Insecticides and Repellents; Pesticides; Agrochemicals; Chlorine Containing Products; Ectoparasiticides, Incl. Scabicides; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Hydrocarbons, Chlorinated; Insecticides; Compounds used in a research, industrial, or household setting" Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl 6327 46508542 D00360 PA164754914 DAP001036 Lindane CHEMBL15891 1388 DB00431 Lindane BE0000557 PGR P06401 PRGR_HUMAN 14579009 "Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G: Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Anal Bioanal Chem. 2004 Feb;378(3):664-9. Epub 2003 Oct 25." Approved; Withdrawn Cyclohexyl halides Organic compounds; Organohalogen compounds; Alkyl halides; Cyclohexyl halides "Hydrocarbons, Halogenated; Agents that reduce seizure threshold; Antiparasitic Products, Insecticides and Repellents; Pesticides; Agrochemicals; Chlorine Containing Products; Ectoparasiticides, Incl. Scabicides; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Hydrocarbons, Chlorinated; Insecticides; Compounds used in a research, industrial, or household setting" Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl 6327 46508542 D00360 PA164754914 DAP001036 Lindane CHEMBL15891 1388 DB00431 Lindane BE0000123 ESR1 P03372 ESR1_HUMAN 14579009; 15253041 "Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G: Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Anal Bioanal Chem. 2004 Feb;378(3):664-9. Epub 2003 Oct 25.@@Okubo T, Yokoyama Y, Kano K, Soya Y, Kano I: Estimation of estrogenic and antiestrogenic activities of selected pesticides by MCF-7 cell proliferation assay. Arch Environ Contam Toxicol. 2004 May;46(4):445-53." Approved; Withdrawn Cyclohexyl halides Organic compounds; Organohalogen compounds; Alkyl halides; Cyclohexyl halides "Hydrocarbons, Halogenated; Agents that reduce seizure threshold; Antiparasitic Products, Insecticides and Repellents; Pesticides; Agrochemicals; Chlorine Containing Products; Ectoparasiticides, Incl. Scabicides; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Hydrocarbons, Chlorinated; Insecticides; Compounds used in a research, industrial, or household setting" Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl 6327 46508542 D00360 PA164754914 DAP001036 Lindane CHEMBL15891 1388 DB00433 Prochlorperazine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 1768559 "Isah AO, Rawlins MD, Bateman DN: Clinical pharmacology of prochlorperazine in healthy young males. Br J Clin Pharmacol. 1991 Dec;32(6):677-84." Approved; Vet_approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Phenothiazines; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Gastrointestinal Agents; Autonomic Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Phenothiazines With Piperazine Structure; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Neurotoxic agents; Schizophrenia; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Sulfur Compounds; Dopamine Agents" CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1 7990 46509018 D00493 PA451114 DAP000373 Prochlorperazine CHEMBL728 8704 DB00433 Prochlorperazine BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist 1768559 "Isah AO, Rawlins MD, Bateman DN: Clinical pharmacology of prochlorperazine in healthy young males. Br J Clin Pharmacol. 1991 Dec;32(6):677-84." Approved; Vet_approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Phenothiazines; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Gastrointestinal Agents; Autonomic Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Phenothiazines With Piperazine Structure; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Neurotoxic agents; Schizophrenia; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Sulfur Compounds; Dopamine Agents" CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1 7990 46509018 D00493 PA451114 DAP000373 Prochlorperazine CHEMBL728 8704 DB00434 Cyproheptadine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11752352; 2866055 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Paton DM, Webster DR: Clinical pharmacokinetics of H1-receptor antagonists (the antihistamines). Clin Pharmacokinet. 1985 Nov-Dec;10(6):477-97." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes Anti-Allergic Agents; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Miscellaneous Derivatives; Photosensitizing Agents; Benzocycloheptenes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Agents that reduce seizure threshold; UGT1A3 substrates; Antipruritics; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Muscarinic Antagonists; Piperidines; Serotonin Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; OCT1 inhibitors; Antihistamines for Systemic Use; Histamine Agents CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12 Cyproheptadine H1-Antihistamine Action drug_action 10029 46508613 PA164749366 DAP000103 Cyproheptadine CHEMBL516 3013 DB00434 Cyproheptadine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 12498911 "Honda M, Nishida T, Ono H: Tricyclic analogs cyclobenzaprine, amitriptyline and cyproheptadine inhibit the spinal reflex transmission through 5-HT(2) receptors. Eur J Pharmacol. 2003 Jan 1;458(1-2):91-9." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes Anti-Allergic Agents; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Miscellaneous Derivatives; Photosensitizing Agents; Benzocycloheptenes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Agents that reduce seizure threshold; UGT1A3 substrates; Antipruritics; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Muscarinic Antagonists; Piperidines; Serotonin Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; OCT1 inhibitors; Antihistamines for Systemic Use; Histamine Agents CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12 Cyproheptadine H1-Antihistamine Action drug_action 10029 46508613 PA164749366 DAP000103 Cyproheptadine CHEMBL516 3013 DB00434 Cyproheptadine BE0000112 HRH2 P25021 HRH2_HUMAN antagonist 30911 "Green JP, Weinstein H, Maayani S: Defining the histamine H2-receptor in brain: the interaction with LSD. NIDA Res Monogr. 1978;(22):38-59." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes Anti-Allergic Agents; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Miscellaneous Derivatives; Photosensitizing Agents; Benzocycloheptenes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Agents that reduce seizure threshold; UGT1A3 substrates; Antipruritics; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Muscarinic Antagonists; Piperidines; Serotonin Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; OCT1 inhibitors; Antihistamines for Systemic Use; Histamine Agents CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12 Cyproheptadine H1-Antihistamine Action drug_action 10029 46508613 PA164749366 DAP000103 Cyproheptadine CHEMBL516 3013 DB00434 Cyproheptadine BE0000393 HTR2B P41595 5HT2B_HUMAN antagonist 12498911 "Honda M, Nishida T, Ono H: Tricyclic analogs cyclobenzaprine, amitriptyline and cyproheptadine inhibit the spinal reflex transmission through 5-HT(2) receptors. Eur J Pharmacol. 2003 Jan 1;458(1-2):91-9." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes Anti-Allergic Agents; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Miscellaneous Derivatives; Photosensitizing Agents; Benzocycloheptenes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Agents that reduce seizure threshold; UGT1A3 substrates; Antipruritics; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Muscarinic Antagonists; Piperidines; Serotonin Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; OCT1 inhibitors; Antihistamines for Systemic Use; Histamine Agents CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12 Cyproheptadine H1-Antihistamine Action drug_action 10029 46508613 PA164749366 DAP000103 Cyproheptadine CHEMBL516 3013 DB00434 Cyproheptadine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 2625138 "Eltze M, Lambrecht G, Mutschler E: Cyproheptadine displays high affinity for muscarinic receptors but does not discriminate between receptor subtypes. Eur J Pharmacol. 1989 Dec 7;173(2-3):219-22." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes Anti-Allergic Agents; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Miscellaneous Derivatives; Photosensitizing Agents; Benzocycloheptenes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Agents that reduce seizure threshold; UGT1A3 substrates; Antipruritics; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Muscarinic Antagonists; Piperidines; Serotonin Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; OCT1 inhibitors; Antihistamines for Systemic Use; Histamine Agents CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12 Cyproheptadine H1-Antihistamine Action drug_action 10029 46508613 PA164749366 DAP000103 Cyproheptadine CHEMBL516 3013 DB00434 Cyproheptadine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 2625138 "Eltze M, Lambrecht G, Mutschler E: Cyproheptadine displays high affinity for muscarinic receptors but does not discriminate between receptor subtypes. Eur J Pharmacol. 1989 Dec 7;173(2-3):219-22." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes Anti-Allergic Agents; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Miscellaneous Derivatives; Photosensitizing Agents; Benzocycloheptenes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Agents that reduce seizure threshold; UGT1A3 substrates; Antipruritics; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Muscarinic Antagonists; Piperidines; Serotonin Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; OCT1 inhibitors; Antihistamines for Systemic Use; Histamine Agents CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12 Cyproheptadine H1-Antihistamine Action drug_action 10029 46508613 PA164749366 DAP000103 Cyproheptadine CHEMBL516 3013 DB00434 Cyproheptadine BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 20827463 "Teitler M, Toohey N, Knight JA, Klein MT, Smith C: Clozapine and other competitive antagonists reactivate risperidone-inactivated h5-HT7 receptors: radioligand binding and functional evidence for GPCR homodimer protomer interactions. Psychopharmacology (Berl). 2010 Dec;212(4):687-97. doi: 10.1007/s00213-010-2001-x. Epub 2010 Sep 9." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes Anti-Allergic Agents; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Miscellaneous Derivatives; Photosensitizing Agents; Benzocycloheptenes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Agents that reduce seizure threshold; UGT1A3 substrates; Antipruritics; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Muscarinic Antagonists; Piperidines; Serotonin Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; OCT1 inhibitors; Antihistamines for Systemic Use; Histamine Agents CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12 Cyproheptadine H1-Antihistamine Action drug_action 10029 46508613 PA164749366 DAP000103 Cyproheptadine CHEMBL516 3013 DB00435 Nitric Oxide BE0003578 GUCY1A2 P33402 GCYA2_HUMAN inducer 1852778; 20089135 "Moncada S, Palmer RM, Higgs EA: Nitric oxide: physiology, pathophysiology, and pharmacology. Pharmacol Rev. 1991 Jun;43(2):109-42.@@Mancuso C, Navarra P, Preziosi P: Roles of nitric oxide, carbon monoxide, and hydrogen sulfide in the regulation of the hypothalamic-pituitary-adrenal axis. J Neurochem. 2010 May;113(3):563-75. doi: 10.1111/j.1471-4159.2010.06606.x. Epub 2010 Jan 20." Approved Other non-metal oxides Inorganic compounds; Homogeneous non-metal compounds; Other non-metal organides; Other non-metal oxides "Nitrogen Compounds; Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Gases; Vasodilation; Anti-Asthmatic Agents; Endothelium-Dependent Relaxing Factors; Autonomic Agents; Nitrates and Nitrites; Hypotensive Agents; Oxides; Cardiovascular Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Free Radical Scavengers; Bronchodilator Agents; Cytochrome P-450 CYP1A2 Inhibitors; Nitrogen Oxides; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Free Radicals; Reactive Nitrogen Species; Respiratory System Agents; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Compounds used in a research, industrial, or household setting; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Gasotransmitters; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Oxygen Compounds" [N]=O "Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Ornithine Aminotransferase Deficiency (OAT Deficiency); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Hyperprolinemia Type I; Hyperprolinemia Type II; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Hyperornithinemia with Gyrate Atrophy (HOGA); Prolinemia Type II; L-Arginine:Glycine Amidinotransferase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency" disease; metabolic; signaling 16163 46506897 D00074 PA450635 DAP001056 Nitric_oxide CHEMBL1200689 7442 DB00436 Bendroflumethiazide BE0000419 SLC12A3 P55017 S12A3_HUMAN inhibitor 11752352; 10894798; 18216144 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Monroy A, Plata C, Hebert SC, Gamba G: Characterization of the thiazide-sensitive Na(+)-Cl(-) cotransporter: a new model for ions and diuretics interaction. Am J Physiol Renal Physiol. 2000 Jul;279(1):F161-9.@@Vallon V, Rieg T, Ahn SY, Wu W, Eraly SA, Nigam SK: Overlapping in vitro and in vivo specificities of the organic anion transporters OAT1 and OAT3 for loop and thiazide diuretics. Am J Physiol Renal Physiol. 2008 Apr;294(4):F867-73. doi: 10.1152/ajprenal.00528.2007. Epub 2008 Jan 23." Approved "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "Low-Ceiling Diuretics and Potassium-Sparing Agents; Antihypertensive Agents; Hyperglycemia-Associated Agents; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Natriuretic Agents; Increased Diuresis; Bradycardia-Causing Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides" NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F Bendroflumethiazide Action Pathway drug_action 9550 46508672 D00650 PA448563 DAP000188 Bendroflumethiazide CHEMBL1684 1369 DB00436 Bendroflumethiazide BE0000553 KCNMA1 Q12791 KCMA1_HUMAN inducer 14766795 "Tricarico D, Barbieri M, Mele A, Carbonara G, Camerino DC: Carbonic anhydrase inhibitors are specific openers of skeletal muscle BK channel of K+-deficient rats. FASEB J. 2004 Apr;18(6):760-1. Epub 2004 Feb 6." Approved "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "Low-Ceiling Diuretics and Potassium-Sparing Agents; Antihypertensive Agents; Hyperglycemia-Associated Agents; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Natriuretic Agents; Increased Diuresis; Bradycardia-Causing Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides" NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F Bendroflumethiazide Action Pathway drug_action 9550 46508672 D00650 PA448563 DAP000188 Bendroflumethiazide CHEMBL1684 1369 DB00436 Bendroflumethiazide BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 16368240; 15258186 "Tricarico D, Mele A, Conte Camerino D: Carbonic anhydrase inhibitors ameliorate the symptoms of hypokalaemic periodic paralysis in rats by opening the muscular Ca2+-activated-K+ channels. Neuromuscul Disord. 2006 Jan;16(1):39-45. doi: 10.1016/j.nmd.2005.10.005. Epub 2005 Dec 20.@@Berg JT, Ramanathan S, Gabrielli MG, Swenson ER: Carbonic anhydrase in mammalian vascular smooth muscle. J Histochem Cytochem. 2004 Aug;52(8):1101-6." Approved "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "Low-Ceiling Diuretics and Potassium-Sparing Agents; Antihypertensive Agents; Hyperglycemia-Associated Agents; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Natriuretic Agents; Increased Diuresis; Bradycardia-Causing Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides" NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F Bendroflumethiazide Action Pathway drug_action 9550 46508672 D00650 PA448563 DAP000188 Bendroflumethiazide CHEMBL1684 1369 DB00437 Allopurinol BE0002204 XDH P47989 XDH_HUMAN inhibitor 11752352; 19584965; 19654053; 19436671; 20029618; 12184468; 5415686; 18409526; 19376361; 20046204; 16507884 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Suzuki I, Yamauchi T, Onuma M, Nozaki S: Allopurinol, an inhibitor of uric acid synthesis--can it be used for the treatment of metabolic syndrome and related disorders? Drugs Today (Barc). 2009 May;45(5):363-78. doi: 10.1358/dot.2009.45.5.1370460.@@Carro MD, Falkenstein E, Radke WJ, Klandorf H: Effects of allopurinol on uric acid concentrations, xanthine oxidoreductase activity and oxidative stress in broiler chickens. Comp Biochem Physiol C Toxicol Pharmacol. 2010 Jan;151(1):12-7. doi: 10.1016/j.cbpc.2009.07.010. Epub 2009 Aug 3.@@George J, Struthers AD: Role of urate, xanthine oxidase and the effects of allopurinol in vascular oxidative stress. Vasc Health Risk Manag. 2009;5(1):265-72. Epub 2009 Apr 8.@@Higgins P, Dawson J, Walters M: The potential for xanthine oxidase inhibition in the prevention and treatment of cardiovascular and cerebrovascular disease. Cardiovasc Psychiatry Neurol. 2009;2009:282059. doi: 10.1155/2009/282059. Epub 2009 Nov 4.@@Dincer HE, Dincer AP, Levinson DJ: Asymptomatic hyperuricemia: to treat or not to treat. Cleve Clin J Med. 2002 Aug;69(8):594, 597, 600-2 passim.@@Kelley WN, Wyngaarden JB: Effects of allopurinol and oxipurinol on purine synthesis in cultured human cells. J Clin Invest. 1970 Mar;49(3):602-9.@@Okamoto K: [Inhibitors of xanthine oxidoreductase]. Nihon Rinsho. 2008 Apr;66(4):748-53.@@Taha MO, Simoes MJ, Noguerol EC, Mendonca FP, Pascoalick HM, Alves RA, Vivian ME, Morales FP, Campos AC, Magalhaes KG, Venerando PS, Tersariol IL, Monteiro HP, Oliveira-Junior IS, Jurkiewicz A, Caricati-Neto A: Effects of allopurinol on ischemia and reperfusion in rabbit livers. Transplant Proc. 2009 Apr;41(3):820-3. doi: 10.1016/j.transproceed.2009.02.051.@@Terkeltaub R: Update on gout: new therapeutic strategies and options. Nat Rev Rheumatol. 2010 Jan;6(1):30-8. doi: 10.1038/nrrheum.2009.236.@@Pacher P, Nivorozhkin A, Szabo C: Therapeutic effects of xanthine oxidase inhibitors: renaissance half a century after the discovery of allopurinol. Pharmacol Rev. 2006 Mar;58(1):87-114." Approved "Pyrazolo[3,4-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrazolopyrimidines; Pyrazolo[3,4-d]pyrimidines" "BCRP/ABCG2 Substrates; Antigout Preparations; Antioxidants; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Purines; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Xanthine Oxidase Inhibitors; Preparations Inhibiting Uric Acid Production; Antimetabolites; Protective Agents; Free Radical Scavengers; Drugs that are Mainly Renally Excreted; Uricosuric Agents" OC1=NC=NC2=C1C=NN2 9388 46508516 D00224 PA448320 DAP000773 Allopurinol CHEMBL1467 519 DB00439 Cerivastatin BE0000574 HMGCR P04035 HMDH_HUMAN inhibitor 10193776; 10740137; 11057870; 11448925; 11470741; 11752352 "Shiomi M, Ito T: Effect of cerivastatin sodium, a new inhibitor of HMG-CoA reductase, on plasma lipid levels, progression of atherosclerosis, and the lesional composition in the plaques of WHHL rabbits. Br J Pharmacol. 1999 Feb;126(4):961-8.@@Blumenthal RS: Statins: effective antiatherosclerotic therapy. Am Heart J. 2000 Apr;139(4):577-83.@@Ganne F, Vasse M, Beaudeux JL, Peynet J, Francois A, Mishal Z, Chartier A, Tobelem G, Vannier JP, Soria J, Soria C: Cerivastatin, an inhibitor of HMG-CoA reductase, inhibits urokinase/urokinase-receptor expression and MMP-9 secretion by peripheral blood monocytes--a possible protective mechanism against atherothrombosis. Thromb Haemost. 2000 Oct;84(4):680-8.@@Wong WW, Tan MM, Xia Z, Dimitroulakos J, Minden MD, Penn LZ: Cerivastatin triggers tumor-specific apoptosis with higher efficacy than lovastatin. Clin Cancer Res. 2001 Jul;7(7):2067-75.@@Denoyelle C, Vasse M, Korner M, Mishal Z, Ganne F, Vannier JP, Soria J, Soria C: Cerivastatin, an inhibitor of HMG-CoA reductase, inhibits the signaling pathways involved in the invasiveness and metastatic properties of highly invasive breast cancer cell lines: an in vitro study. Carcinogenesis. 2001 Aug;22(8):1139-48.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Withdrawn Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Lipid Modifying Agents, Plain; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates" COCC1=C(C2=CC=C(F)C=C2)C(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)=C(C(C)C)N=C1C(C)C Cerivastatin Action Pathway drug_action 11747 46505877 PA448897 DNC000403 Cerivastatin CHEMBL1477 596723 DB00441 Gemcitabine BE0000325 RRM1 P23921 RIR1_HUMAN inhibitor 16708051; 16807441; 16966686; 17065054; 17131328; 17636467 "Kwon WS, Rha SY, Choi YH, Lee JO, Park KH, Jung JJ, Kim TS, Jeung HC, Chung HC: Ribonucleotide reductase M1 (RRM1) 2464G>A polymorphism shows an association with gemcitabine chemosensitivity in cancer cell lines. Pharmacogenet Genomics. 2006 Jun;16(6):429-38.@@Rosell R, Cobo M, Isla D, Camps C, Massuti B: Pharmacogenomics and gemcitabine. Ann Oncol. 2006 May;17 Suppl 5:v13-16.@@Bepler G, Kusmartseva I, Sharma S, Gautam A, Cantor A, Sharma A, Simon G: RRM1 modulated in vitro and in vivo efficacy of gemcitabine and platinum in non-small-cell lung cancer. J Clin Oncol. 2006 Oct 10;24(29):4731-7. Epub 2006 Sep 11.@@Smid K, Bergman AM, Eijk PP, Veerman G, van Haperen VW, van den Ijssel P, Ylstra B, Peters GJ: Micro-array analysis of resistance for gemcitabine results in increased expression of ribonucleotide reductase subunits. Nucleosides Nucleotides Nucleic Acids. 2006;25(9-11):1001-7.@@Nakahira S, Nakamori S, Tsujie M, Takahashi Y, Okami J, Yoshioka S, Yamasaki M, Marubashi S, Takemasa I, Miyamoto A, Takeda Y, Nagano H, Dono K, Umeshita K, Sakon M, Monden M: Involvement of ribonucleotide reductase M1 subunit overexpression in gemcitabine resistance of human pancreatic cancer. Int J Cancer. 2007 Mar 15;120(6):1355-63.@@Cerqueira NM, Fernandes PA, Ramos MJ: Understanding ribonucleotide reductase inactivation by gemcitabine. Chemistry. 2007;13(30):8507-15." Approved Pyrimidine 2'-deoxyribonucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides" "Myelosuppressive Agents; Ribonucleosides; Glycosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Carbohydrates; Noxae; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Antineoplastic Agents; Pyrimidine Analogues; Deoxycytidine; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Cytidine Deaminase Substrates; Deoxyribonucleosides; Nucleic Acids, Nucleotides, and Nucleosides; P-glycoprotein substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Pyrimidines; Narrow Therapeutic Index Drugs; Ribonucleotide Reductases, antagonists & inhibitors; Toxic Actions; Pyrimidine Nucleosides" NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F Gemcitabine Metabolism Pathway; Gemcitabine Action Pathway drug_metabolism; drug_action 11262 46506425 D02368 PA449748 DAP001246 Gemcitabine CHEMBL888 12574 DB00443 Betamethasone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 12188035; 15336699; 15866114 "Tanigawa K, Nagase H, Ohmori K, Tanaka K, Miyake H, Kiniwa M, Ikizawa K: Species-specific differences in the glucocorticoid receptor transactivation function upon binding with betamethasone-esters. Int Immunopharmacol. 2002 Jun;2(7):941-50.@@Aida K, Shi Q, Wang J, VandeBerg JL, McDonald T, Nathanielsz P, Wang XL: The effects of betamethasone (BM) on endothelial nitric oxide synthase (eNOS) expression in adult baboon femoral arterial endothelial cells. J Steroid Biochem Mol Biol. 2004 Aug;91(4-5):219-24.@@Johnstone JF, Bocking AD, Unlugedik E, Challis JR: The effects of chorioamnionitis and betamethasone on 11beta hydroxysteroid dehydrogenase types 1 and 2 and the glucocorticoid receptor in preterm human placenta. J Soc Gynecol Investig. 2005 May;12(4):238-45." Approved; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnanes; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Dermatologicals; Cytochrome P-450 CYP3A5 Inducers (weak); Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Corticosteroids Acting Locally; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Pregnadienetriols; Steroids; Nasal Preparations; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2C8 Inducers; Ophthalmological and Otological Preparations; Otologicals; Steroids, Fluorinated; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Intestinal Antiinflammatory Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Ophthalmologicals; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP2C9 Inducers; Pregnadienes; Glucocorticoids; Adrenals; Corticosteroids for Systemic Use; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 20081 46505155 D00244 PA164754818 DAP001043 Betamethasone CHEMBL632 1514 DB00444 Teniposide BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 16271071; 17361331; 17514873; 8702194; 16480143; 11752352 "de Lucio B, Manuel V, Barrera-Rodriguez R: Characterization of human NSCLC cell line with innate etoposide-resistance mediated by cytoplasmic localization of topoisomerase II alpha. Cancer Sci. 2005 Nov;96(11):774-83.@@Uesaka T, Shono T, Kuga D, Suzuki SO, Niiro H, Miyamoto K, Matsumoto K, Mizoguchi M, Ohta M, Iwaki T, Sasaki T: Enhanced expression of DNA topoisomerase II genes in human medulloblastoma and its possible association with etoposide sensitivity. J Neurooncol. 2007 Sep;84(2):119-29. Epub 2007 Mar 15.@@Winnicka K, Bielawski K, Bielawska A: Cardiac glycosides in cancer research and cancer therapy. Acta Pol Pharm. 2006 Mar-Apr;63(2):109-15.@@Faure P, Madelaine I: [Topoisomerases: therapeutic value]. Ann Pharm Fr. 1996;54(1):40-4.@@Umanskaya ON, Ioudinkova ES, Razin SV, Bystritskiy AA: Inhibition of DNA topoisomerase II in living cells stimulates illegitimate recombination. Dokl Biochem Biophys. 2005 Nov-Dec;405:423-5.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Podophyllotoxins "Organic compounds; Lignans, neolignans and related compounds; Lignan lactones; Podophyllotoxins" Myelosuppressive Agents; Glycosides; Enzyme Inhibitors; Carbohydrates; Topoisomerase Inhibitors; Cytochrome P-450 CYP3A Substrates; Podophyllotoxin Derivatives; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Glucosides; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Topoisomerase II Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs [H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=C(C=C3OCOC3=C1)[C@H]2O[C@]1([H])O[C@]2([H])CO[C@H](O[C@@]2([H])[C@H](O)[C@H]1O)C1=CC=CS1 Teniposide Action Pathway; Teniposide Metabolism Pathway drug_metabolism; drug_action 1924 46507536 D02698 PA451611 DAP000651 Teniposide CHEMBL452231 10362 DB00445 Epirubicin BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 14728934; 16234514; 17639997 "Petit T, Wilt M, Velten M, Millon R, Rodier JF, Borel C, Mors R, Haegele P, Eber M, Ghnassia JP: Comparative value of tumour grade, hormonal receptors, Ki-67, HER-2 and topoisomerase II alpha status as predictive markers in breast cancer patients treated with neoadjuvant anthracycline-based chemotherapy. Eur J Cancer. 2004 Jan;40(2):205-11.@@Knoop AS, Knudsen H, Balslev E, Rasmussen BB, Overgaard J, Nielsen KV, Schonau A, Gunnarsdottir K, Olsen KE, Mouridsen H, Ejlertsen B: retrospective analysis of topoisomerase IIa amplifications and deletions as predictive markers in primary breast cancer patients randomly assigned to cyclophosphamide, methotrexate, and fluorouracil or cyclophosphamide, epirubicin, and fluorouracil: Danish Breast Cancer Cooperative Group. J Clin Oncol. 2005 Oct 20;23(30):7483-90.@@Liang CH, Shiu LY, Chang LC, Sheu HM, Kuo KW: Solamargine upregulation of Fas, downregulation of HER2, and enhancement of cytotoxicity using epirubicin in NSCLC cells. Mol Nutr Food Res. 2007 Aug;51(8):999-1005." Approved Anthracyclines Organic compounds; Phenylpropanoids and polyketides; Anthracyclines "Cytotoxic Antibiotics and Related Substances; Myelosuppressive Agents; UGT2B7 substrates; Glycosides; Enzyme Inhibitors; Carbohydrates; Topoisomerase Inhibitors; Naphthacenes; Cardiotoxic antineoplastic agents; Antineoplastic Agents; Hepatotoxic Agents; Antibiotics, Antineoplastic; Anthracyclines and Related Substances; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Topoisomerase II Inhibitors; Anthracyclines; UGT2B7 Substrates with a Narrow Therapeutic Index; Anthracycline Topoisomerase Inhibitor; Narrow Therapeutic Index Drugs" COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O 20259 46507282 PA449476 DAP000193 Epirubicin CHEMBL417 3995 DB00446 Chloramphenicol BE0000929 CD55 P08174 DAF_HUMAN other 15331605; 17376081 "Pettigrew D, Anderson KL, Billington J, Cota E, Simpson P, Urvil P, Rabuzin F, Roversi P, Nowicki B, du Merle L, Le Bouguenec C, Matthews S, Lea SM: High resolution studies of the Afa/Dr adhesin DraE and its interaction with chloramphenicol. J Biol Chem. 2004 Nov 5;279(45):46851-7. Epub 2004 Aug 24.@@Korotkova N, Chattopadhyay S, Tabata TA, Beskhlebnaya V, Vigdorovich V, Kaiser BK, Strong RK, Dykhuizen DE, Sokurenko EV, Moseley SL: Selection for functional diversity drives accumulation of point mutations in Dr adhesins of Escherichia coli. Mol Microbiol. 2007 Apr;64(1):180-94." Approved; Vet_approved; Withdrawn Nitrobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes Anti-Acne Preparations for Topical Use; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Myelosuppressive Agents; Enzyme Inhibitors; Anti-Bacterial Agents; Dermatologicals; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Antiinfectives for Systemic Use; Anti-Acne Preparations; Glycols; Cytochrome P-450 Enzyme Inhibitors; Protein Synthesis Inhibitors; Antiinfectives for Treatment of Acne; Alcohols; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A4 Inhibitors; Otologicals; Ophthalmological and Otological Preparations; Nitro Compounds; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antibacterials for Systemic Use; Amphenicols; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP3A7 Inhibitors; Immunosuppressive Agents; Anti-Infective Agents; Propylene Glycols; Ophthalmologicals; Antibiotics for Topical Use; Nitrobenzenes; Cytochrome P-450 CYP2C19 Inhibitors; Gynecological Antiinfectives and Antiseptics; Sensory Organs OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O Chloramphenicol Action Pathway drug_action 8578 46505318 D00104 PA448927 DAP001356 Chloramphenicol CHEMBL130 2348 DB00449 Dipivefrin BE0002180 BCHE P06276 CHLE_HUMAN substrate 8446367 "Nakamura M, Shirasawa E, Hikida M: Characterization of esterases involved in the hydrolysis of dipivefrin hydrochloride. Ophthalmic Res. 1993;25(1):46-51." Approved Phenol esters Organic compounds; Benzenoids; Phenol esters Adrenergic beta-Agonists; Amines; Adrenergic alpha-Agonists; Biogenic Amines; Adrenergic alpha-2 Receptor Agonists; Catecholamines; Benzene Derivatives; Ophthalmics; Amino Alcohols; Phenols; Alcohols; Antiglaucoma Preparations and Miotics; Adrenergic Agonists; Mydriatics; Adrenergic alpha-1 Receptor Agonists; Sympathomimetics in Glaucoma Therapy; Ophthalmologicals; Catechols; Adrenergic beta-3 Receptor Agonists; Biogenic Monoamines; Cholinesterase substrates; Adrenergic beta-2 Receptor Agonists; Neurotransmitter Agents; Ethanolamines; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents; Sensory Organs CNCC(O)C1=CC(OC(=O)C(C)(C)C)=C(OC(=O)C(C)(C)C)C=C1 8913 46504716 D02349 PA449364 DAP000593 Dipivefrine CHEMBL1201262 23410 DB00451 Levothyroxine BE0003576 ITGAV P06756 ITAV_HUMAN 26303085; 17983645 "Hammes SR, Davis PJ: Overlapping nongenomic and genomic actions of thyroid hormone and steroids. Best Pract Res Clin Endocrinol Metab. 2015 Aug;29(4):581-93. doi: 10.1016/j.beem.2015.04.001. Epub 2015 Apr 22.@@Davis PJ, Leonard JL, Davis FB: Mechanisms of nongenomic actions of thyroid hormone. Front Neuroendocrinol. 2008 May;29(2):211-8. doi: 10.1016/j.yfrne.2007.09.003. Epub 2007 Oct 5." Approved Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; P-glycoprotein inducers; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Cytochrome P-450 CYP2C8 Inhibitors; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Enzyme Inhibitors; Agents used to treat hypothyroidism; UGT1A1 Substrates with a Narrow Therapeutic Index; Hormones; Thyroxine-binding globulin substrates; Amino Acids; OATP1B3 inhibitors; Thyroid Products; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Amino Acids, Cyclic; UGT1A1 Substrates; Narrow Therapeutic Index Drugs; Hormones, Hormone Substitutes, and Hormone Antagonists" N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O Thyroid Hormone Synthesis metabolic 5325 46507672 D08125 PA450221 DAP000083 Levothyroxine CHEMBL1624 10582 DB00451 Levothyroxine BE0000687 THRA P10827 THA_HUMAN agonist 17016423; 17139284; 17315033; 20615127; 11752352; 20051527 "Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Bernal J: Thyroid hormone receptors in brain development and function. Nat Clin Pract Endocrinol Metab. 2007 Mar;3(3):249-59.@@Nakajima Y, Yamada M, Horiguchi K, Satoh T, Hashimoto K, Tokuhiro E, Onigata K, Mori M: Resistance to thyroid hormone due to a novel thyroid hormone receptor mutant in a patient with hypothyroidism secondary to lingual thyroid and functional characterization of the mutant receptor. Thyroid. 2010 Aug;20(8):917-26. doi: 10.1089/thy.2009.0389.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Cheng SY, Leonard JL, Davis PJ: Molecular aspects of thyroid hormone actions. Endocr Rev. 2010 Apr;31(2):139-70. doi: 10.1210/er.2009-0007. Epub 2010 Jan 5." Approved Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; P-glycoprotein inducers; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Cytochrome P-450 CYP2C8 Inhibitors; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Enzyme Inhibitors; Agents used to treat hypothyroidism; UGT1A1 Substrates with a Narrow Therapeutic Index; Hormones; Thyroxine-binding globulin substrates; Amino Acids; OATP1B3 inhibitors; Thyroid Products; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Amino Acids, Cyclic; UGT1A1 Substrates; Narrow Therapeutic Index Drugs; Hormones, Hormone Substitutes, and Hormone Antagonists" N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O Thyroid Hormone Synthesis metabolic 5325 46507672 D08125 PA450221 DAP000083 Levothyroxine CHEMBL1624 10582 DB00451 Levothyroxine BE0000315 THRB P10828 THB_HUMAN agonist 17016423; 18816177; 20151830; 16053391; 20051527 "Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Marazuela M, Nattero L, Moure D, Garcia-Polo I, Figueroa-Vega N, Guijarro C: Thyroid hormone resistance and pituitary enlargement after thyroid ablation in a woman on levothyroxine treatment. Thyroid. 2008 Oct;18(10):1119-23. doi: 10.1089/thy.2007.0375.@@Sivakumar T, Chaidarun S: Resistance to thyroid hormone in a patient with coexisting Graves' disease. Thyroid. 2010 Feb;20(2):213-6. doi: 10.1089/thy.2009.0175.@@Grasberger H, Ringkananont U, Croxson M, Refetoff S: Resistance to thyroid hormone in a patient with thyroid dysgenesis. Thyroid. 2005 Jul;15(7):730-3.@@Cheng SY, Leonard JL, Davis PJ: Molecular aspects of thyroid hormone actions. Endocr Rev. 2010 Apr;31(2):139-70. doi: 10.1210/er.2009-0007. Epub 2010 Jan 5." Approved Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; P-glycoprotein inducers; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Cytochrome P-450 CYP2C8 Inhibitors; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Enzyme Inhibitors; Agents used to treat hypothyroidism; UGT1A1 Substrates with a Narrow Therapeutic Index; Hormones; Thyroxine-binding globulin substrates; Amino Acids; OATP1B3 inhibitors; Thyroid Products; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Amino Acids, Cyclic; UGT1A1 Substrates; Narrow Therapeutic Index Drugs; Hormones, Hormone Substitutes, and Hormone Antagonists" N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O Thyroid Hormone Synthesis metabolic 5325 46507672 D08125 PA450221 DAP000083 Levothyroxine CHEMBL1624 10582 DB00454 Meperidine BE0000365 GRIN1 Q05586 NMDZ1_HUMAN antagonist 10735801 "Yamakura T, Sakimura K, Shimoji K: N-methyl-D-aspartate receptor channel block by meperidine is dependent on extracellular pH. Anesth Analg. 2000 Apr;90(4):928-32." Approved Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "Sensory System Agents; Narcotics; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Phenylpiperidine opioids; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Isonipecotic Acids; Peripheral Nervous System Agents; Analgesics; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Opioids" CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1 11358 46506899 D08343 PA450369 DAP000230 Pethidine CHEMBL607 6754 DB00454 Meperidine BE0000417 GRIN2B Q13224 NMDE2_HUMAN antagonist 10735801 "Yamakura T, Sakimura K, Shimoji K: N-methyl-D-aspartate receptor channel block by meperidine is dependent on extracellular pH. Anesth Analg. 2000 Apr;90(4):928-32." Approved Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "Sensory System Agents; Narcotics; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Phenylpiperidine opioids; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Isonipecotic Acids; Peripheral Nervous System Agents; Analgesics; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Opioids" CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1 11358 46506899 D08343 PA450369 DAP000230 Pethidine CHEMBL607 6754 DB00454 Meperidine BE0000760 GRIN2A Q12879 NMDE1_HUMAN antagonist 10735801 "Yamakura T, Sakimura K, Shimoji K: N-methyl-D-aspartate receptor channel block by meperidine is dependent on extracellular pH. Anesth Analg. 2000 Apr;90(4):928-32." Approved Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "Sensory System Agents; Narcotics; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Phenylpiperidine opioids; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Isonipecotic Acids; Peripheral Nervous System Agents; Analgesics; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Opioids" CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1 11358 46506899 D08343 PA450369 DAP000230 Pethidine CHEMBL607 6754 DB00454 Meperidine BE0000396 GRIN2D O15399 NMDE4_HUMAN antagonist 10735801 "Yamakura T, Sakimura K, Shimoji K: N-methyl-D-aspartate receptor channel block by meperidine is dependent on extracellular pH. Anesth Analg. 2000 Apr;90(4):928-32." Approved Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "Sensory System Agents; Narcotics; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Phenylpiperidine opioids; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Isonipecotic Acids; Peripheral Nervous System Agents; Analgesics; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Opioids" CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1 11358 46506899 D08343 PA450369 DAP000230 Pethidine CHEMBL607 6754 DB00454 Meperidine BE0004890 CHRM1 P08912 ACM5_HUMAN binder 8164394 Hustveit O: Binding of fentanyl and pethidine to muscarinic receptors in rat brain. Jpn J Pharmacol. 1994 Jan;64(1):57-9. Approved Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "Sensory System Agents; Narcotics; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Phenylpiperidine opioids; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Isonipecotic Acids; Peripheral Nervous System Agents; Analgesics; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Opioids" CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1 11358 46506899 D08343 PA450369 DAP000230 Pethidine CHEMBL607 6754 DB00454 Meperidine BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 11585443 "Poulain R, Horvath D, Bonnet B, Eckhoff C, Chapelain B, Bodinier MC, Deprez B: From hit to lead. Combining two complementary methods for focused library design. Application to mu opiate ligands. J Med Chem. 2001 Oct 11;44(21):3378-90." Approved Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "Sensory System Agents; Narcotics; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Phenylpiperidine opioids; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Isonipecotic Acids; Peripheral Nervous System Agents; Analgesics; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Opioids" CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1 11358 46506899 D08343 PA450369 DAP000230 Pethidine CHEMBL607 6754 DB00455 Loratadine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11752352; 1303772; 7581058; 8174605; 10597865; 15942272; 1303773; 9444440; 1977506 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Cieslewicz G, Gondorowicz K, Grzelewska-Rzymowska I, Rozniecki J, Wojciechowska B: [Effect of loratadine--selective antagonist of histamine (H1) receptor--on allergen-induced bronchoconstriction in atopic asthmatics]. Pneumonol Alergol Pol. 1992;60(11-12):11-5.@@Cieslewicz G, Gondorowicz K, Grzelewska-Rzymowska I, Rozniecki J: [Effect of loratadine, selective antagonist of histamine H1 receptors, on histamine-induced bronchoconstriction]. Pneumonol Alergol Pol. 1995;63(5-6):281-5.@@Letari O, Miozzo A, Folco G, Belloni PA, Sala A, Rovati GE, Nicosia S: Effects of loratadine on cytosolic Ca2+ levels and leukotriene release: novel mechanisms of action independent of the anti-histamine activity. Eur J Pharmacol. 1994 Feb 15;266(3):219-27.@@Cavero I, Mestre M, Guillon JM, Heuillet E, Roach AG: Preclinical in vitro cardiac electrophysiology: a method of predicting arrhythmogenic potential of antihistamines in humans? Drug Saf. 1999;21 Suppl 1:19-31; discussion 81-7.@@Tamura T, Masaki S, Ohmori K, Karasawa A: Effect of olopatadine and other histamine H1 receptor antagonists on the skin inflammation induced by repeated topical application of oxazolone in mice. Pharmacology. 2005 Dec;75(1):45-52. Epub 2005 Jun 7.@@Grzelewska-Rzymowska I, Gondorowicz K, Cieslewicz G, Rozniecki J, Wojciechowska B: [Effect of loratadine (LO), a selective H1 antagonist, on histamine-induced bronchoconstriction]. Pneumonol Alergol Pol. 1992;60(11-12):16-21.@@Menardo JL, Horak F, Danzig MR, Czarlewski W: A review of loratadine in the treatment of patients with allergic bronchial asthma. Clin Ther. 1997 Nov-Dec;19(6):1278-93; discussion 1523-4.@@Howarth PH: Histamine and asthma: an appraisal based on specific H1-receptor antagonism. Clin Exp Allergy. 1990 Aug;20 Suppl 2:31-41." Approved; Investigational Benzocycloheptapyridines Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Dermatologicals; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Benzocycloheptenes; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Loratadine and derivatives; Antipruritics; Dibenzocycloheptenes; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Piperidines; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antihistamines for Systemic Use; Cytochrome P-450 CYP1A2 Substrates" CCOC(=O)N1CCC(CC1)=C1C2=C(CCC3=C1N=CC=C3)C=C(Cl)C=C2 Loratadine H1-Antihistamine Action drug_action 1299 46507853 D00364 PA450266 DAP000101 Loratadine CHEMBL998 28889 DB00457 Prazosin BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 18187928; 11682453 "Nagaoka Y, Ahmed M, Hossain M, Bhuiyan MA, Ishiguro M, Nakamura T, Watanabe M, Nagatomo T: Amino acids of the human alpha1d-adrenergic receptor involved in antagonist binding. J Pharmacol Sci. 2008 Jan;106(1):114-20. Epub 2008 Jan 11.@@Yamamoto Y, Koike K: alpha(1)-Adrenoceptor subtypes in the mouse mesenteric artery and abdominal aorta. Br J Pharmacol. 2001 Nov;134(5):1045-54." Approved N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Adrenergic alpha-Antagonists; OCT2 Substrates; Hypotensive Agents; OCT1 substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Antiadrenergic Agents, Peripherally Acting; P-glycoprotein substrates; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Vasodilating Agents; Alpha-Adrenoreceptor Antagonists and Diuretics; OCT1 inhibitors; Quinazolines" COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1 2193 46508594 D08411 PA451093 DAP000300 Prazosin CHEMBL2 8629 DB00457 Prazosin BE0004863 ADRA1A P25100 ADA1D_HUMAN Approved N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Adrenergic alpha-Antagonists; OCT2 Substrates; Hypotensive Agents; OCT1 substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Antiadrenergic Agents, Peripherally Acting; P-glycoprotein substrates; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Vasodilating Agents; Alpha-Adrenoreceptor Antagonists and Diuretics; OCT1 inhibitors; Quinazolines" COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1 2193 46508594 D08411 PA451093 DAP000300 Prazosin CHEMBL2 8629 DB00458 Imipramine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 7855217 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65." Approved Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12 Imipramine Metabolism Pathway; Imipramine Action Pathway drug_metabolism; drug_action 9267 46507351 D08070 PA449969 DAP001154 Imipramine CHEMBL11 5691 DB00458 Imipramine BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 20363235 "Nojimoto FD, Mueller A, Hebeler-Barbosa F, Akinaga J, Lima V, Kiguti LR, Pupo AS: The tricyclic antidepressants amitriptyline, nortriptyline and imipramine are weak antagonists of human and rat alpha1B-adrenoceptors. Neuropharmacology. 2010 Jul-Aug;59(1-2):49-57. doi: 10.1016/j.neuropharm.2010.03.015. Epub 2010 Apr 2." Approved Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12 Imipramine Metabolism Pathway; Imipramine Action Pathway drug_metabolism; drug_action 9267 46507351 D08070 PA449969 DAP001154 Imipramine CHEMBL11 5691 DB00458 Imipramine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 7855217 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65." Approved Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12 Imipramine Metabolism Pathway; Imipramine Action Pathway drug_metabolism; drug_action 9267 46507351 D08070 PA449969 DAP001154 Imipramine CHEMBL11 5691 DB00458 Imipramine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 7855217 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65." Approved Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12 Imipramine Metabolism Pathway; Imipramine Action Pathway drug_metabolism; drug_action 9267 46507351 D08070 PA449969 DAP001154 Imipramine CHEMBL11 5691 DB00458 Imipramine BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 7855217 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65." Approved Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12 Imipramine Metabolism Pathway; Imipramine Action Pathway drug_metabolism; drug_action 9267 46507351 D08070 PA449969 DAP001154 Imipramine CHEMBL11 5691 DB00458 Imipramine BE0003603 KCND2 Q9NZV8 KCND2_HUMAN inhibitor 9781919 "Casis O, Sanchez-Chapula JA: Disopyramide, imipramine, and amitriptyline bind to a common site on the transient outward K+ channel. J Cardiovasc Pharmacol. 1998 Oct;32(4):521-6." Approved Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12 Imipramine Metabolism Pathway; Imipramine Action Pathway drug_metabolism; drug_action 9267 46507351 D08070 PA449969 DAP001154 Imipramine CHEMBL11 5691 DB00458 Imipramine BE0003604 KCND3 Q9UK17 KCND3_HUMAN inhibitor 9781919 "Casis O, Sanchez-Chapula JA: Disopyramide, imipramine, and amitriptyline bind to a common site on the transient outward K+ channel. J Cardiovasc Pharmacol. 1998 Oct;32(4):521-6." Approved Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12 Imipramine Metabolism Pathway; Imipramine Action Pathway drug_metabolism; drug_action 9267 46507351 D08070 PA449969 DAP001154 Imipramine CHEMBL11 5691 DB00458 Imipramine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 8876023; 7804391 "Palvimaki EP, Roth BL, Majasuo H, Laakso A, Kuoppamaki M, Syvalahti E, Hietala J: Interactions of selective serotonin reuptake inhibitors with the serotonin 5-HT2c receptor. Psychopharmacology (Berl). 1996 Aug;126(3):234-40.@@Roth BL: Multiple serotonin receptors: clinical and experimental aspects. Ann Clin Psychiatry. 1994 Jun;6(2):67-78." Approved Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12 Imipramine Metabolism Pathway; Imipramine Action Pathway drug_metabolism; drug_action 9267 46507351 D08070 PA449969 DAP001154 Imipramine CHEMBL11 5691 DB00458 Imipramine BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 10997731; 7804391 "Lucchelli A, Santagostino-Barbone MG, D'Agostino G, Masoero E, Tonini M: The interaction of antidepressant drugs with enteric 5-HT7 receptors. Naunyn Schmiedebergs Arch Pharmacol. 2000 Sep;362(3):284-9.@@Roth BL: Multiple serotonin receptors: clinical and experimental aspects. Ann Clin Psychiatry. 1994 Jun;6(2):67-78." Approved Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12 Imipramine Metabolism Pathway; Imipramine Action Pathway drug_metabolism; drug_action 9267 46507351 D08070 PA449969 DAP001154 Imipramine CHEMBL11 5691 DB00458 Imipramine BE0005191 KCNH1 O95259 KCNH1_HUMAN 15365094 "Garcia-Ferreiro RE, Kerschensteiner D, Major F, Monje F, Stuhmer W, Pardo LA: Mechanism of block of hEag1 K+ channels by imipramine and astemizole. J Gen Physiol. 2004 Oct;124(4):301-17. Epub 2004 Sep 13." Approved Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12 Imipramine Metabolism Pathway; Imipramine Action Pathway drug_metabolism; drug_action 9267 46507351 D08070 PA449969 DAP001154 Imipramine CHEMBL11 5691 DB00459 Acitretin BE0000412 RXRA P19793 RXRA_HUMAN agonist 9074840; 9153406 "Orfanos CE, Zouboulis CC, Almond-Roesler B, Geilen CC: Current use and future potential role of retinoids in dermatology. Drugs. 1997 Mar;53(3):358-88.@@Tian K, Norris AW, Lin CL, Li E: The isolation and characterization of purified heterocomplexes of recombinant retinoic acid receptor and retinoid X receptor ligand binding domains. Biochemistry. 1997 May 13;36(19):5669-76." Approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Dermatologicals; Antipsoriatics; Hydrocarbons, Acyclic; Cyclohexenes; Alkenes; Cycloparaffins; Antipsoriatics for Systemic Use; Photosensitizing Agents; Misc. Skin and Mucous Membrane Agents; Cyclohexanes; Pigments, Biological; Terpenes; Biological Factors; Hepatotoxic Agents; Drugs causing inadvertant photosensitivity; Retinoids; Retinoids for Treatment of Psoriasis; Polyenes; Keratolytic Agents; Carotenoids" COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1 1209 46509178 D02754 PA448039 DAP000743 Acitretin CHEMBL1131 16818 DB00459 Acitretin BE0000663 RARA P10276 RARA_HUMAN agonist 10459139; 9074840; 9153406; 19144697 "Saurat JH: Retinoids and psoriasis: novel issues in retinoid pharmacology and implications for psoriasis treatment. J Am Acad Dermatol. 1999 Sep;41(3 Pt 2):S2-6.@@Orfanos CE, Zouboulis CC, Almond-Roesler B, Geilen CC: Current use and future potential role of retinoids in dermatology. Drugs. 1997 Mar;53(3):358-88.@@Tian K, Norris AW, Lin CL, Li E: The isolation and characterization of purified heterocomplexes of recombinant retinoic acid receptor and retinoid X receptor ligand binding domains. Biochemistry. 1997 May 13;36(19):5669-76.@@Tippmann F, Hundt J, Schneider A, Endres K, Fahrenholz F: Up-regulation of the alpha-secretase ADAM10 by retinoic acid receptors and acitretin. FASEB J. 2009 Jun;23(6):1643-54. doi: 10.1096/fj.08-121392. Epub 2009 Jan 14." Approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Dermatologicals; Antipsoriatics; Hydrocarbons, Acyclic; Cyclohexenes; Alkenes; Cycloparaffins; Antipsoriatics for Systemic Use; Photosensitizing Agents; Misc. Skin and Mucous Membrane Agents; Cyclohexanes; Pigments, Biological; Terpenes; Biological Factors; Hepatotoxic Agents; Drugs causing inadvertant photosensitivity; Retinoids; Retinoids for Treatment of Psoriasis; Polyenes; Keratolytic Agents; Carotenoids" COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1 1209 46509178 D02754 PA448039 DAP000743 Acitretin CHEMBL1131 16818 DB00459 Acitretin BE0000206 RARB P10826 RARB_HUMAN agonist 7755585; 11586072; 19144697 "Berggren Soderlund M, Johannesson G, Fex G: Expression of human all-trans-retinoic acid receptor beta and its ligand-binding domain in Escherichia coli. Biochem J. 1995 May 15;308 ( Pt 1):353-9.@@Zouboulis CC: Retinoids--which dermatological indications will benefit in the near future? Skin Pharmacol Appl Skin Physiol. 2001 Sep-Oct;14(5):303-15.@@Tippmann F, Hundt J, Schneider A, Endres K, Fahrenholz F: Up-regulation of the alpha-secretase ADAM10 by retinoic acid receptors and acitretin. FASEB J. 2009 Jun;23(6):1643-54. doi: 10.1096/fj.08-121392. Epub 2009 Jan 14." Approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Dermatologicals; Antipsoriatics; Hydrocarbons, Acyclic; Cyclohexenes; Alkenes; Cycloparaffins; Antipsoriatics for Systemic Use; Photosensitizing Agents; Misc. Skin and Mucous Membrane Agents; Cyclohexanes; Pigments, Biological; Terpenes; Biological Factors; Hepatotoxic Agents; Drugs causing inadvertant photosensitivity; Retinoids; Retinoids for Treatment of Psoriasis; Polyenes; Keratolytic Agents; Carotenoids" COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1 1209 46509178 D02754 PA448039 DAP000743 Acitretin CHEMBL1131 16818 DB00459 Acitretin BE0000144 RARG P13631 RARG_HUMAN agonist 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Dermatologicals; Antipsoriatics; Hydrocarbons, Acyclic; Cyclohexenes; Alkenes; Cycloparaffins; Antipsoriatics for Systemic Use; Photosensitizing Agents; Misc. Skin and Mucous Membrane Agents; Cyclohexanes; Pigments, Biological; Terpenes; Biological Factors; Hepatotoxic Agents; Drugs causing inadvertant photosensitivity; Retinoids; Retinoids for Treatment of Psoriasis; Polyenes; Keratolytic Agents; Carotenoids" COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1 1209 46509178 D02754 PA448039 DAP000743 Acitretin CHEMBL1131 16818 DB00459 Acitretin BE0000707 RXRG P48443 RXRG_HUMAN agonist 17139284; 17016423; 9074840 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Orfanos CE, Zouboulis CC, Almond-Roesler B, Geilen CC: Current use and future potential role of retinoids in dermatology. Drugs. 1997 Mar;53(3):358-88." Approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Dermatologicals; Antipsoriatics; Hydrocarbons, Acyclic; Cyclohexenes; Alkenes; Cycloparaffins; Antipsoriatics for Systemic Use; Photosensitizing Agents; Misc. Skin and Mucous Membrane Agents; Cyclohexanes; Pigments, Biological; Terpenes; Biological Factors; Hepatotoxic Agents; Drugs causing inadvertant photosensitivity; Retinoids; Retinoids for Treatment of Psoriasis; Polyenes; Keratolytic Agents; Carotenoids" COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1 1209 46509178 D02754 PA448039 DAP000743 Acitretin CHEMBL1131 16818 DB00462 Methscopolamine bromide BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 19565307; 11752352 "Soukup O, Proska J, Binder J, Karasova JZ, Tobin G, Jun D, Marek J, Musilek K, Fusek J, Kuca K: Methylacridinium and its cholinergic properties. Neurotox Res. 2009 Nov;16(4):372-7. doi: 10.1007/s12640-009-9071-8. Epub 2009 Jun 30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Scopolamine Derivatives; Alkaloids; Agents producing tachycardia; Peripheral Nervous System Agents; Azabicyclo Compounds; Autonomic Agents; Parasympatholytics; Tropanes [Br-].[H][C@@]12O[C@]1([H])[C@H]1C[C@H](C[C@@H]2[N+]1(C)C)OC(=O)[C@H](CO)C1=CC=CC=C1 8989 46506260 D00715 PA164784032 DAP001126 Methylscopolamine_bromide CHEMBL1354199 56092 DB00462 Methscopolamine bromide BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 19498041; 12815157; 20687226 "Sykes DA, Dowling MR, Charlton SJ: Exploring the mechanism of agonist efficacy: a relationship between efficacy and agonist dissociation rate at the muscarinic M3 receptor. Mol Pharmacol. 2009 Sep;76(3):543-51. doi: 10.1124/mol.108.054452. Epub 2009 Jun 4.@@Voigtlander U, Johren K, Mohr M, Raasch A, Trankle C, Buller S, Ellis J, Holtje HD, Mohr K: Allosteric site on muscarinic acetylcholine receptors: identification of two amino acids in the muscarinic M2 receptor that account entirely for the M2/M5 subtype selectivities of some structurally diverse allosteric ligands in N-methylscopolamine-occupied receptors. Mol Pharmacol. 2003 Jul;64(1):21-31.@@Saito M, Kazuyama E, Shimizu S, Dimitriadis F, Kinoshita Y, Masuda E, Yamada S, Satoh K: Muscarinic receptors and their mRNAs in type 2 Goto-Kakizaki diabetic rat prostate. Prostate. 2010 Oct 1;70(14):1533-9. doi: 10.1002/pros.21188." Approved Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Scopolamine Derivatives; Alkaloids; Agents producing tachycardia; Peripheral Nervous System Agents; Azabicyclo Compounds; Autonomic Agents; Parasympatholytics; Tropanes [Br-].[H][C@@]12O[C@]1([H])[C@H]1C[C@H](C[C@@H]2[N+]1(C)C)OC(=O)[C@H](CO)C1=CC=CC=C1 8989 46506260 D00715 PA164784032 DAP001126 Methylscopolamine_bromide CHEMBL1354199 56092 DB00463 Metharbital BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 11264449; 10209232 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217." Withdrawn Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Barbiturates and Derivatives; Nicotinic Antagonists; Central Nervous System Depressants; Pyrimidines; Nervous System; Anticonvulsants CCC1(CC)C(=O)NC(=O)N(C)C1=O 46508167 D01382 PA164746525 DAP000675 Metharbital CHEMBL450 6825 DB00463 Metharbital BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 14579514; 10209232; 11264449; 10487207; 11752352; 17139284; 17016423 "Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Withdrawn Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Barbiturates and Derivatives; Nicotinic Antagonists; Central Nervous System Depressants; Pyrimidines; Nervous System; Anticonvulsants CCC1(CC)C(=O)NC(=O)N(C)C1=O 46508167 D01382 PA164746525 DAP000675 Metharbital CHEMBL450 6825 DB00463 Metharbital BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 11264449; 16248797; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Withdrawn Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Barbiturates and Derivatives; Nicotinic Antagonists; Central Nervous System Depressants; Pyrimidines; Nervous System; Anticonvulsants CCC1(CC)C(=O)NC(=O)N(C)C1=O 46508167 D01382 PA164746525 DAP000675 Metharbital CHEMBL450 6825 DB00463 Metharbital BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Withdrawn Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Barbiturates and Derivatives; Nicotinic Antagonists; Central Nervous System Depressants; Pyrimidines; Nervous System; Anticonvulsants CCC1(CC)C(=O)NC(=O)N(C)C1=O 46508167 D01382 PA164746525 DAP000675 Metharbital CHEMBL450 6825 DB00463 Metharbital BE0000826 GRIK2 Q13002 GRIK2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Withdrawn Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Anticholinergic Agents; Barbiturates and Derivatives; Nicotinic Antagonists; Central Nervous System Depressants; Pyrimidines; Nervous System; Anticonvulsants CCC1(CC)C(=O)NC(=O)N(C)C1=O 46508167 D01382 PA164746525 DAP000675 Metharbital CHEMBL450 6825 DB00466 Picrotoxin BE0000795 GABRA1 P14867 GBRA1_HUMAN antagonist 17139284; 17016423; 18446586; 20491873; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Law RJ, Lightstone FC: Gaba receptor insecticide non-competitive antagonists may bind at allosteric modulator sites. Int J Neurosci. 2008 May;118(5):705-34. doi: 10.1080/00207450701750216.@@Richter D, Luhmann HJ, Kilb W: Intrinsic activation of GABA(A) receptors suppresses epileptiform activity in the cerebral cortex of immature mice. Epilepsia. 2010 Aug;51(8):1483-92. doi: 10.1111/j.1528-1167.2010.02591.x. Epub 2010 May 14.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Furopyrans Organic compounds; Organoheterocyclic compounds; Furopyrans "Protective Agents; Central Nervous System Stimulants; GABA Agents; Cycloparaffins; Toxins, Biological; Cyclohexanes; Terpenes; Plant Preparations; Biological Factors; Antidotes; Complex Mixtures; Sesquiterpenes; GABA Antagonists; Lactones; Stimulants; Compounds used in a research, industrial, or household setting; Biological Products; Plant Extracts; Pharmaceutical Preparations; Central Nervous System Agents; Neurotransmitter Agents; Convulsants; GABA-A Receptor Antagonists" [H][C@@]12OC(=O)[C@@]34OC3C[C@@](O)(C3[C@@H](C1OC3=O)C(C)=C)[C@@]24C.[H][C@@]12C[C@@]3(O)C4[C@@H](C(OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C)C(C)(C)O 46506796 PA164777007 DAP000676 Picrotoxin CHEMBL1908342 DB00466 Picrotoxin BE0000745 GLRA2 P23416 GLRA2_HUMAN antagonist 17714449; 17405877 "Yang Z, Cromer BA, Harvey RJ, Parker MW, Lynch JW: A proposed structural basis for picrotoxinin and picrotin binding in the glycine receptor pore. J Neurochem. 2007 Oct;103(2):580-9. Epub 2007 Aug 20.@@Wang DS, Buckinx R, Lecorronc H, Mangin JM, Rigo JM, Legendre P: Mechanisms for picrotoxinin and picrotin blocks of alpha2 homomeric glycine receptors. J Biol Chem. 2007 Jun 1;282(22):16016-35. Epub 2007 Apr 3." Experimental Furopyrans Organic compounds; Organoheterocyclic compounds; Furopyrans "Protective Agents; Central Nervous System Stimulants; GABA Agents; Cycloparaffins; Toxins, Biological; Cyclohexanes; Terpenes; Plant Preparations; Biological Factors; Antidotes; Complex Mixtures; Sesquiterpenes; GABA Antagonists; Lactones; Stimulants; Compounds used in a research, industrial, or household setting; Biological Products; Plant Extracts; Pharmaceutical Preparations; Central Nervous System Agents; Neurotransmitter Agents; Convulsants; GABA-A Receptor Antagonists" [H][C@@]12OC(=O)[C@@]34OC3C[C@@](O)(C3[C@@H](C1OC3=O)C(C)=C)[C@@]24C.[H][C@@]12C[C@@]3(O)C4[C@@H](C(OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C)C(C)(C)O 46506796 PA164777007 DAP000676 Picrotoxin CHEMBL1908342 DB00466 Picrotoxin BE0000414 GLRA3 O75311 GLRA3_HUMAN antagonist 17714449 "Yang Z, Cromer BA, Harvey RJ, Parker MW, Lynch JW: A proposed structural basis for picrotoxinin and picrotin binding in the glycine receptor pore. J Neurochem. 2007 Oct;103(2):580-9. Epub 2007 Aug 20." Experimental Furopyrans Organic compounds; Organoheterocyclic compounds; Furopyrans "Protective Agents; Central Nervous System Stimulants; GABA Agents; Cycloparaffins; Toxins, Biological; Cyclohexanes; Terpenes; Plant Preparations; Biological Factors; Antidotes; Complex Mixtures; Sesquiterpenes; GABA Antagonists; Lactones; Stimulants; Compounds used in a research, industrial, or household setting; Biological Products; Plant Extracts; Pharmaceutical Preparations; Central Nervous System Agents; Neurotransmitter Agents; Convulsants; GABA-A Receptor Antagonists" [H][C@@]12OC(=O)[C@@]34OC3C[C@@](O)(C3[C@@H](C1OC3=O)C(C)=C)[C@@]24C.[H][C@@]12C[C@@]3(O)C4[C@@H](C(OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C)C(C)(C)O 46506796 PA164777007 DAP000676 Picrotoxin CHEMBL1908342 DB00466 Picrotoxin BE0000433 GLRA1 P23415 GLRA1_HUMAN antagonist 15081878 "Jensen AA, Kristiansen U: Functional characterisation of the human alpha1 glycine receptor in a fluorescence-based membrane potential assay. Biochem Pharmacol. 2004 May 1;67(9):1789-99." Experimental Furopyrans Organic compounds; Organoheterocyclic compounds; Furopyrans "Protective Agents; Central Nervous System Stimulants; GABA Agents; Cycloparaffins; Toxins, Biological; Cyclohexanes; Terpenes; Plant Preparations; Biological Factors; Antidotes; Complex Mixtures; Sesquiterpenes; GABA Antagonists; Lactones; Stimulants; Compounds used in a research, industrial, or household setting; Biological Products; Plant Extracts; Pharmaceutical Preparations; Central Nervous System Agents; Neurotransmitter Agents; Convulsants; GABA-A Receptor Antagonists" [H][C@@]12OC(=O)[C@@]34OC3C[C@@](O)(C3[C@@H](C1OC3=O)C(C)=C)[C@@]24C.[H][C@@]12C[C@@]3(O)C4[C@@H](C(OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C)C(C)(C)O 46506796 PA164777007 DAP000676 Picrotoxin CHEMBL1908342 DB00467 Enoxacin BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 11752352; 18471102; 10089819 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Maki T, Hirono I, Kondo H, Aoki T: Drug resistance mechanism of the fish-pathogenic bacterium Lactococcus garvieae. J Fish Dis. 2008 Jun;31(6):461-8. doi: 10.1111/j.1365-2761.2008.00927.x.@@Snyder RD, Cooper CS: Photogenotoxicity of fluoroquinolones in Chinese hamster V79 cells: dependency on active topoisomerase II. Photochem Photobiol. 1999 Mar;69(3):288-93." Approved; Investigational Naphthyridine carboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Naphthyridines "Potential QTc-Prolonging Agents; Anti-Infective Agents; Topoisomerase II Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strong); Heterocyclic Compounds, Fused-Ring; Fluoroquinolones; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Topoisomerase Inhibitors; Anti-Bacterial Agents; Antibacterials for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Quinolones; Quinolines; Antiinfectives for Systemic Use" CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N=C12)N1CCNCC1 46507505 D00310 PA449462 DAP001000 Enoxacin CHEMBL826 3925 DB00470 Dronabinol BE0000061 CNR1 P21554 CNR1_HUMAN agonist 17139284; 17016423; 12686391; 11204352; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Pryce G, Giovannoni G, Baker D: Mifepristone or inhibition of 11beta-hydroxylase activity potentiates the sedating effects of the cannabinoid receptor-1 agonist Delta(9)-tetrahydrocannabinol in mice. Neurosci Lett. 2003 May 1;341(2):164-6.@@Tsai SJ, Wang YC, Hong CJ: Association study of a cannabinoid receptor gene (CNR1) polymorphism and schizophrenia. Psychiatr Genet. 2000 Sep;10(3):149-51.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Illicit "2,2-dimethyl-1-benzopyrans" Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP3A5 Inhibitors (weak); Cytochrome P-450 CYP3A7 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Terpenes; Cytochrome P-450 CYP2A6 Inhibitors; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hallucinogens; Analgesics, Non-Narcotic; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Psychotropic Drugs; Antiemetics and Antinauseants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Miscellaneous Antiemetics; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)OC1=C2C(O)=CC(CCCCC)=C1 8285 46508472 D00306 PA449421 DAP000207 Dronabinol CHEMBL465 10402 DB00472 Fluoxetine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 18083778; 11082448; 9050900 "Chanrion B, Mannoury la Cour C, Gavarini S, Seimandi M, Vincent L, Pujol JF, Bockaert J, Marin P, Millan MJ: Inverse agonist and neutral antagonist actions of antidepressants at recombinant and native 5-hydroxytryptamine2C receptors: differential modulation of cell surface expression and signal transduction. Mol Pharmacol. 2008 Mar;73(3):748-57. Epub 2007 Dec 14.@@Cryan JF, Lucki I: Antidepressant-like behavioral effects mediated by 5-Hydroxytryptamine(2C) receptors. J Pharmacol Exp Ther. 2000 Dec;295(3):1120-6.@@Ni YG, Miledi R: Blockage of 5HT2C serotonin receptors by fluoxetine (Prozac). Proc Natl Acad Sci U S A. 1997 Mar 4;94(5):2036-40. doi: 10.1073/pnas.94.5.2036." Approved; Vet_approved Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes "Cytochrome P-450 CYP2D6 Inhibitors; Nicotinic Antagonists; Amines; Enzyme Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antidepressive Agents, Second-Generation; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Propylamines; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1 Fluoxetine Metabolism Pathway; Fluoxetine Action Pathway drug_metabolism; drug_action 11130 46507902 D00823 PA449673 DAP000186 Fluoxetine CHEMBL41 4493 DB00472 Fluoxetine BE0003585 CHRNA3 P32297 ACHA3_HUMAN antagonist 9050901 "Garcia-Colunga J, Awad JN, Miledi R: Blockage of muscle and neuronal nicotinic acetylcholine receptors by fluoxetine (Prozac). Proc Natl Acad Sci U S A. 1997 Mar 4;94(5):2041-4." Approved; Vet_approved Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes "Cytochrome P-450 CYP2D6 Inhibitors; Nicotinic Antagonists; Amines; Enzyme Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antidepressive Agents, Second-Generation; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Propylamines; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1 Fluoxetine Metabolism Pathway; Fluoxetine Action Pathway drug_metabolism; drug_action 11130 46507902 D00823 PA449673 DAP000186 Fluoxetine CHEMBL41 4493 DB00472 Fluoxetine BE0004552 CKS1B P61024 CKS1_HUMAN 18371935 "Krishnan A, Hariharan R, Nair SA, Pillai MR: Fluoxetine mediates G0/G1 arrest by inducing functional inhibition of cyclin dependent kinase subunit (CKS)1. Biochem Pharmacol. 2008 May 15;75(10):1924-34. doi: 10.1016/j.bcp.2008.02.013. Epub 2008 Feb 17." Approved; Vet_approved Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes "Cytochrome P-450 CYP2D6 Inhibitors; Nicotinic Antagonists; Amines; Enzyme Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antidepressive Agents, Second-Generation; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Propylamines; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1 Fluoxetine Metabolism Pathway; Fluoxetine Action Pathway drug_metabolism; drug_action 11130 46507902 D00823 PA449673 DAP000186 Fluoxetine CHEMBL41 4493 DB00474 Methohexital BE0000795 GABRA1 P14867 GBRA1_HUMAN antagonist 17139284; 17016423; 9014160; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Koltchine VV, Ye Q, Finn SE, Harrison NL: Chimeric GABAA/glycine receptors: expression and barbiturate pharmacology. Neuropharmacology. 1996;35(9-10):1445-56.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Barbiturates, Plain; Psycholeptics; Anesthetics, General; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Anesthetics, Intravenous; Pyrimidines; Anesthetics; Nervous System; Barbiturates; Anticonvulsants" CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O 8219 46507954 D04985 PA164784030 DAP000677 Methohexital CHEMBL7413 6847 DB00475 Chlordiazepoxide BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved; Illicit; Investigational "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Cytochrome P-450 CYP3A Substrates; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Ribonucleotides; Nucleotides; Psycholeptics; Cytosine Nucleotides; Heterocyclic Compounds, Fused-Ring; GABA Modulators; Nucleic Acids, Nucleotides, and Nucleosides; Cytochrome P-450 CYP3A4 Substrates; Adjuvants, Anesthesia; Pyrimidine Nucleotides; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CNC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=[N+]([O-])C1 10260 46505044 D00267 PA448932 DAP000084 Chlordiazepoxide CHEMBL451 2356 DB00477 Chlorpromazine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 2899826; 6189542; 91313; 687395; 25190 "Hals PA, Hall H, Dahl SG: Muscarinic cholinergic and histamine H1 receptor binding of phenothiazine drug metabolites. Life Sci. 1988;43(5):405-12.@@Church MK, Young KD: The characteristics of inhibition of histamine release from human lung fragments by sodium cromoglycate, salbutamol and chlorpromazine. Br J Pharmacol. 1983 Apr;78(4):671-9.@@Johnson HG, Miller MD: Inhibition of histamine release and ionophore-induced calcium flux in rat mast cells by lidocaine and chlorpromazine. Agents Actions. 1979 Aug;9(3):239-43.@@Palmer GC, Wagner HR, Palmer SJ, Manian AA: Histamine-, norepinephrine-, and dopamine-sensitive central adenylate cyclases: effects of chlorpromazine derivatives and butaclamol. Arch Int Pharmacodyn Ther. 1978 Jun;233(2):314-25.@@Ruffolo RR, Patil PN: Kinetics of blockade of different receptors by chlorpromazine in rabbit stomach strips. Eur J Pharmacol. 1978 Mar 15;48(2):151-7." Approved; Investigational; Vet_approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Dopamine Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Neurotransmitter Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2 20237 46508395 D00270 PA448964 DAP000374 Chlorpromazine CHEMBL71 2403 DB00477 Chlorpromazine BE0000581 DRD3 P35462 DRD3_HUMAN inhibitor 8301582 "Freedman SB, Patel S, Marwood R, Emms F, Seabrook GR, Knowles MR, McAllister G: Expression and pharmacological characterization of the human D3 dopamine receptor. J Pharmacol Exp Ther. 1994 Jan;268(1):417-26." Approved; Investigational; Vet_approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Dopamine Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Neurotransmitter Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2 20237 46508395 D00270 PA448964 DAP000374 Chlorpromazine CHEMBL71 2403 DB00477 Chlorpromazine BE0000533 HTR2C P28335 5HT2C_HUMAN binder 7908055 "Roth BL, Craigo SC, Choudhary MS, Uluer A, Monsma FJ Jr, Shen Y, Meltzer HY, Sibley DR: Binding of typical and atypical antipsychotic agents to 5-hydroxytryptamine-6 and 5-hydroxytryptamine-7 receptors. J Pharmacol Exp Ther. 1994 Mar;268(3):1403-10." Approved; Investigational; Vet_approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Dopamine Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Neurotransmitter Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2 20237 46508395 D00270 PA448964 DAP000374 Chlorpromazine CHEMBL71 2403 DB00477 Chlorpromazine BE0004881 HTR2A P28335 5HT2C_HUMAN binder 7908055 "Roth BL, Craigo SC, Choudhary MS, Uluer A, Monsma FJ Jr, Shen Y, Meltzer HY, Sibley DR: Binding of typical and atypical antipsychotic agents to 5-hydroxytryptamine-6 and 5-hydroxytryptamine-7 receptors. J Pharmacol Exp Ther. 1994 Mar;268(3):1403-10." Approved; Investigational; Vet_approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Dopamine Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Neurotransmitter Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2 20237 46508395 D00270 PA448964 DAP000374 Chlorpromazine CHEMBL71 2403 DB00477 Chlorpromazine BE0004863 ADRA1A P25100 ADA1D_HUMAN inhibitor 6135146 "Huerta-Bahena J, Villalobos-Molina R, Garcia-Sainz JA: Trifluoperazine and chlorpromazine antagonize alpha 1- but not alpha2- adrenergic effects. Mol Pharmacol. 1983 Jan;23(1):67-70." Approved; Investigational; Vet_approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Dopamine Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Neurotransmitter Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2 20237 46508395 D00270 PA448964 DAP000374 Chlorpromazine CHEMBL71 2403 DB00477 Chlorpromazine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 15765260 "Davies MA, Compton-Toth BA, Hufeisen SJ, Meltzer HY, Roth BL: The highly efficacious actions of N-desmethylclozapine at muscarinic receptors are unique and not a common property of either typical or atypical antipsychotic drugs: is M1 agonism a pre-requisite for mimicking clozapine's actions? Psychopharmacology (Berl). 2005 Apr;178(4):451-60. Epub 2004 Oct 13." Approved; Investigational; Vet_approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Dopamine Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Neurotransmitter Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2 20237 46508395 D00270 PA448964 DAP000374 Chlorpromazine CHEMBL71 2403 DB00477 Chlorpromazine BE0000650 HTR7 P34969 5HT7R_HUMAN binder 7908055 "Roth BL, Craigo SC, Choudhary MS, Uluer A, Monsma FJ Jr, Shen Y, Meltzer HY, Sibley DR: Binding of typical and atypical antipsychotic agents to 5-hydroxytryptamine-6 and 5-hydroxytryptamine-7 receptors. J Pharmacol Exp Ther. 1994 Mar;268(3):1403-10." Approved; Investigational; Vet_approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Dopamine Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Neurotransmitter Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2 20237 46508395 D00270 PA448964 DAP000374 Chlorpromazine CHEMBL71 2403 DB00480 Lenalidomide BE0004755 CRBN Q96SW2 CRBN_HUMAN inhibitor 22966948 "Zhu YX, Kortuem KM, Stewart AK: Molecular mechanism of action of immune-modulatory drugs thalidomide, lenalidomide and pomalidomide in multiple myeloma. Leuk Lymphoma. 2013 Apr;54(4):683-7. doi: 10.3109/10428194.2012.728597. Epub 2012 Sep 28." Approved Isoindolones Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindolines "Myelosuppressive Agents; Growth Substances; Angiogenesis Inhibitors; Piperidones; Immunologic Factors; Angiogenesis Modulating Agents; Phthalic Acids; Thalidomide Analog; Drugs that are Mainly Renally Excreted; Phthalimides; P-glycoprotein substrates; Antineoplastic Agents; Growth Inhibitors; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Piperidines; Isoindoles; Imides" NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O 20185 46505725 D04687 PA162363968 DAP001255 Lenalidomide CHEMBL848 342369 DB00480 Lenalidomide BE0003517 TNFSF11 O14788 TNF11_HUMAN inhibitor 19370685; 17369076 "Akobeng AK, Stokkers PC: Thalidomide and thalidomide analogues for maintenance of remission in Crohn's disease. Cochrane Database Syst Rev. 2009 Apr 15;(2):CD007351. doi: 10.1002/14651858.CD007351.pub2.@@Melchert M, List A: The thalidomide saga. Int J Biochem Cell Biol. 2007;39(7-8):1489-99. Epub 2007 Jan 30." Approved Isoindolones Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindolines "Myelosuppressive Agents; Growth Substances; Angiogenesis Inhibitors; Piperidones; Immunologic Factors; Angiogenesis Modulating Agents; Phthalic Acids; Thalidomide Analog; Drugs that are Mainly Renally Excreted; Phthalimides; P-glycoprotein substrates; Antineoplastic Agents; Growth Inhibitors; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Piperidines; Isoindoles; Imides" NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O 20185 46505725 D04687 PA162363968 DAP001255 Lenalidomide CHEMBL848 342369 DB00481 Raloxifene BE0000123 ESR1 P03372 ESR1_HUMAN agonist 10068418; 10376571; 10418979; 10477535; 10485477; 11752352; 10507743; 16951478; 18778124 "Khovidhunkit W, Shoback DM: Clinical effects of raloxifene hydrochloride in women. Ann Intern Med. 1999 Mar 2;130(5):431-9.@@Cummings SR, Eckert S, Krueger KA, Grady D, Powles TJ, Cauley JA, Norton L, Nickelsen T, Bjarnason NH, Morrow M, Lippman ME, Black D, Glusman JE, Costa A, Jordan VC: The effect of raloxifene on risk of breast cancer in postmenopausal women: results from the MORE randomized trial. Multiple Outcomes of Raloxifene Evaluation. JAMA. 1999 Jun 16;281(23):2189-97.@@Bryant HU, Glasebrook AL, Yang NN, Sato M: An estrogen receptor basis for raloxifene action in bone. J Steroid Biochem Mol Biol. 1999 Apr-Jun;69(1-6):37-44.@@Figtree GA, Lu Y, Webb CM, Collins P: Raloxifene acutely relaxes rabbit coronary arteries in vitro by an estrogen receptor-dependent and nitric oxide-dependent mechanism. Circulation. 1999 Sep 7;100(10):1095-101.@@Schafer JI, Liu H, Tonetti DA, Jordan VC: The interaction of raloxifene and the active metabolite of the antiestrogen EM-800 (SC 5705) with the human estrogen receptor. Cancer Res. 1999 Sep 1;59(17):4308-13.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Scott JA, Da Camara CC, Early JE: Raloxifene: a selective estrogen receptor modulator. Am Fam Physician. 1999 Sep 15;60(4):1131-9.@@Matsumoto T: [Selective estrogen receptor modulators (SERMs)]. Clin Calcium. 2006 Sep;16(9):1520-25.@@Moen MD, Keating GM: Raloxifene: a review of its use in the prevention of invasive breast cancer. Drugs. 2008;68(14):2059-83." Approved; Investigational Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Cytochrome P-450 CYP2B6 Inhibitors; Stilbenes; Benzylidene Compounds; OATP1B1/SLCO1B1 Substrates; Hormone Antagonists; Benzene Derivatives; Estrogen Receptor Modulators; Cytochrome P-450 CYP2B6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Selective Estrogen Receptor Modulators; OATP1B3 substrates; UGT1A1 Substrates; Estrogen Agonist-antagonists; Bone Density Conservation Agents; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists" OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2 11811 46506514 PA451221 DAP000792 Raloxifene CHEMBL81 72143 DB00481 Raloxifene BE0000792 ESR2 Q92731 ESR2_HUMAN agonist 10418979; 11500849; 11810032; 11861516; 12097269; 11752352 "Bryant HU, Glasebrook AL, Yang NN, Sato M: An estrogen receptor basis for raloxifene action in bone. J Steroid Biochem Mol Biol. 1999 Apr-Jun;69(1-6):37-44.@@Iannone MA, Consler TG, Pearce KH, Stimmel JB, Parks DJ, Gray JG: Multiplexed molecular interactions of nuclear receptors using fluorescent microspheres. Cytometry. 2001 Aug 1;44(4):326-37.@@Zhou W, Koldzic-Zivanovic N, Clarke CH, de Beun R, Wassermann K, Bury PS, Cunningham KA, Thomas ML: Selective estrogen receptor modulator effects in the rat brain. Neuroendocrinology. 2002 Jan;75(1):24-33.@@Sun J, Huang YR, Harrington WR, Sheng S, Katzenellenbogen JA, Katzenellenbogen BS: Antagonists selective for estrogen receptor alpha. Endocrinology. 2002 Mar;143(3):941-7.@@Kim IY, Seong DH, Kim BC, Lee DK, Remaley AT, Leach F, Morton RA, Kim SJ: Raloxifene, a selective estrogen receptor modulator, induces apoptosis in androgen-responsive human prostate cancer cell line LNCaP through an androgen-independent pathway. Cancer Res. 2002 Jul 1;62(13):3649-53.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Cytochrome P-450 CYP2B6 Inhibitors; Stilbenes; Benzylidene Compounds; OATP1B1/SLCO1B1 Substrates; Hormone Antagonists; Benzene Derivatives; Estrogen Receptor Modulators; Cytochrome P-450 CYP2B6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Selective Estrogen Receptor Modulators; OATP1B3 substrates; UGT1A1 Substrates; Estrogen Agonist-antagonists; Bone Density Conservation Agents; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists" OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2 11811 46506514 PA451221 DAP000792 Raloxifene CHEMBL81 72143 DB00481 Raloxifene BE0008982 SERPINB9 P50453 SPB9_HUMAN 14617632 "Krieg AJ, Krieg SA, Ahn BS, Shapiro DJ: Interplay between estrogen response element sequence and ligands controls in vivo binding of estrogen receptor to regulated genes. J Biol Chem. 2004 Feb 6;279(6):5025-34. Epub 2003 Nov 14." Approved; Investigational Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Cytochrome P-450 CYP2B6 Inhibitors; Stilbenes; Benzylidene Compounds; OATP1B1/SLCO1B1 Substrates; Hormone Antagonists; Benzene Derivatives; Estrogen Receptor Modulators; Cytochrome P-450 CYP2B6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Selective Estrogen Receptor Modulators; OATP1B3 substrates; UGT1A1 Substrates; Estrogen Agonist-antagonists; Bone Density Conservation Agents; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists" OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2 11811 46506514 PA451221 DAP000792 Raloxifene CHEMBL81 72143 DB00482 Celecoxib BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 17826101; 14736236 "Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25.@@Weber A, Casini A, Heine A, Kuhn D, Supuran CT, Scozzafava A, Klebe G: Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition. J Med Chem. 2004 Jan 29;47(3):550-7." Approved; Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; Amides; Benzene Derivatives; Cytochrome P-450 CYP2C8 Substrates; Cyclooxygenase-2 (COX-2) Inhibitors; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Sulfonamides; BCRP/ABCG2 Substrates; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Cytochrome P-450 CYP2D6 Substrates; Musculo-Skeletal System; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Cyclooxygenase Inhibitors; Antineoplastic and Immunomodulating Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Pyrazoles; BSEP/ABCB11 Inhibitors; Benzenesulfonamides; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Sulfur Compounds; Antirheumatic Agents" CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F Celecoxib Action Pathway; Celecoxib Metabolism Pathway drug_metabolism; drug_action 11865 46505596 D00567 PA448871 DAP000737 Celecoxib CHEMBL118 140587 DB00482 Celecoxib BE0003625 CA3 P07451 CAH3_HUMAN inhibitor 17826101 "Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25." Approved; Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; Amides; Benzene Derivatives; Cytochrome P-450 CYP2C8 Substrates; Cyclooxygenase-2 (COX-2) Inhibitors; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Sulfonamides; BCRP/ABCG2 Substrates; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Cytochrome P-450 CYP2D6 Substrates; Musculo-Skeletal System; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Cyclooxygenase Inhibitors; Antineoplastic and Immunomodulating Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Pyrazoles; BSEP/ABCB11 Inhibitors; Benzenesulfonamides; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Sulfur Compounds; Antirheumatic Agents" CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F Celecoxib Action Pathway; Celecoxib Metabolism Pathway drug_metabolism; drug_action 11865 46505596 D00567 PA448871 DAP000737 Celecoxib CHEMBL118 140587 DB00482 Celecoxib BE0010959 CDH11 P55287 CAD11_HUMAN inhibitor 24681547 "Assefnia S, Dakshanamurthy S, Guidry Auvil JM, Hampel C, Anastasiadis PZ, Kallakury B, Uren A, Foley DW, Brown ML, Shapiro L, Brenner M, Haigh D, Byers SW: Cadherin-11 in poor prognosis malignancies and rheumatoid arthritis: common target, common therapies. Oncotarget. 2014 Mar 30;5(6):1458-74. doi: 10.18632/oncotarget.1538." Approved; Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; Amides; Benzene Derivatives; Cytochrome P-450 CYP2C8 Substrates; Cyclooxygenase-2 (COX-2) Inhibitors; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Sulfonamides; BCRP/ABCG2 Substrates; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Cytochrome P-450 CYP2D6 Substrates; Musculo-Skeletal System; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Cyclooxygenase Inhibitors; Antineoplastic and Immunomodulating Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Pyrazoles; BSEP/ABCB11 Inhibitors; Benzenesulfonamides; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Sulfur Compounds; Antirheumatic Agents" CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F Celecoxib Action Pathway; Celecoxib Metabolism Pathway drug_metabolism; drug_action 11865 46505596 D00567 PA448871 DAP000737 Celecoxib CHEMBL118 140587 DB00482 Celecoxib BE0001193 PDPK1 O15530 PDPK1_HUMAN inhibitor 14973075; 15205346; 16060857; 16455452; 16887935 "Kulp SK, Yang YT, Hung CC, Chen KF, Lai JP, Tseng PH, Fowble JW, Ward PJ, Chen CS: 3-phosphoinositide-dependent protein kinase-1/Akt signaling represents a major cyclooxygenase-2-independent target for celecoxib in prostate cancer cells. Cancer Res. 2004 Feb 15;64(4):1444-51.@@Zhu J, Huang JW, Tseng PH, Yang YT, Fowble J, Shiau CW, Shaw YJ, Kulp SK, Chen CS: From the cyclooxygenase-2 inhibitor celecoxib to a novel class of 3-phosphoinositide-dependent protein kinase-1 inhibitors. Cancer Res. 2004 Jun 15;64(12):4309-18. doi: 10.1158/0008-5472.CAN-03-4063.@@Tong Z, Wu X, Ovcharenko D, Zhu J, Chen CS, Kehrer JP: Neutrophil gelatinase-associated lipocalin as a survival factor. Biochem J. 2005 Oct 15;391(Pt 2):441-8.@@Li J, Zhu J, Melvin WS, Bekaii-Saab TS, Chen CS, Muscarella P: A structurally optimized celecoxib derivative inhibits human pancreatic cancer cell growth. J Gastrointest Surg. 2006 Feb;10(2):207-14.@@Tseng PH, Wang YC, Weng SC, Weng JR, Chen CS, Brueggemeier RW, Shapiro CL, Chen CY, Dunn SE, Pollak M, Chen CS: Overcoming trastuzumab resistance in HER2-overexpressing breast cancer cells by using a novel celecoxib-derived phosphoinositide-dependent kinase-1 inhibitor. Mol Pharmacol. 2006 Nov;70(5):1534-41. Epub 2006 Aug 3." Approved; Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; Amides; Benzene Derivatives; Cytochrome P-450 CYP2C8 Substrates; Cyclooxygenase-2 (COX-2) Inhibitors; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Sulfonamides; BCRP/ABCG2 Substrates; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Cytochrome P-450 CYP2D6 Substrates; Musculo-Skeletal System; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Cyclooxygenase Inhibitors; Antineoplastic and Immunomodulating Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Pyrazoles; BSEP/ABCB11 Inhibitors; Benzenesulfonamides; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Sulfur Compounds; Antirheumatic Agents" CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F Celecoxib Action Pathway; Celecoxib Metabolism Pathway drug_metabolism; drug_action 11865 46505596 D00567 PA448871 DAP000737 Celecoxib CHEMBL118 140587 DB00483 Gallamine triethiodide BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 15937215; 11426849; 17588565; 9007524; 7522861; 18552124; 20083608; 18305010; 17944454; 11752352 "Huang XP, Prilla S, Mohr K, Ellis J: Critical amino acid residues of the common allosteric site on the M2 muscarinic acetylcholine receptor: more similarities than differences between the structurally divergent agents gallamine and bis(ammonio)alkane-type hexamethylene-bis-[dimethyl-(3-phthalimidopropyl)ammonium]dibromide. Mol Pharmacol. 2005 Sep;68(3):769-78. Epub 2005 Jun 3.@@De Vries B, Roffel AF, Kooistra JM, Meurs H, Zaagsma J: Effects of fenoterol on beta-adrenoceptor and muscarinic M2 receptor function in bovine tracheal smooth muscle. Eur J Pharmacol. 2001 May 11;419(2-3):253-9.@@Cembala TM, Forde SC, Appadu BL, Lambert DG: Allosteric interaction of the neuromuscular blockers vecuronium and pancuronium with recombinant human muscarinic M2 receptors. Eur J Pharmacol. 2007 Aug 13;569(1-2):37-40. Epub 2007 May 22.@@Ten Berge RE, Krikke M, Teisman AC, Roffel AF, Zaagsma J: Dysfunctional muscarinic M2 autoreceptors in vagally induced bronchoconstriction of conscious guinea pigs after the early allergic reaction. Eur J Pharmacol. 1996 Dec 27;318(1):131-9.@@Spina D, Minshall E, Goldie RG, Page CP: The effect of allosteric antagonists in modulating muscarinic M2-receptor function in guinea-pig isolated trachea. Br J Pharmacol. 1994 Jul;112(3):901-5.@@Redka DS, Pisterzi LF, Wells JW: Binding of orthosteric ligands to the allosteric site of the M(2) muscarinic cholinergic receptor. Mol Pharmacol. 2008 Sep;74(3):834-43. doi: 10.1124/mol.108.048074. Epub 2008 Jun 13.@@Maier-Peuschel M, Frolich N, Dees C, Hommers LG, Hoffmann C, Nikolaev VO, Lohse MJ: A fluorescence resonance energy transfer-based M2 muscarinic receptor sensor reveals rapid kinetics of allosteric modulation. J Biol Chem. 2010 Mar 19;285(12):8793-800. doi: 10.1074/jbc.M109.098517. Epub 2010 Jan 18.@@Ehlert FJ, Griffin MT: Two-state models and the analysis of the allosteric effect of gallamine at the M2 muscarinic receptor. J Pharmacol Exp Ther. 2008 Jun;325(3):1039-60. doi: 10.1124/jpet.108.136960. Epub 2008 Feb 27.@@Elsinghorst PW, Cieslik JS, Mohr K, Trankle C, Gutschow M: First gallamine-tacrine hybrid: design and characterization at cholinesterases and the M2 muscarinic receptor. J Med Chem. 2007 Nov 15;50(23):5685-95. Epub 2007 Oct 18.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Phenol ethers Organic compounds; Benzenoids; Phenol ethers Anticholinergic Agents; Muscarinic Antagonists; Quaternary Ammonium Compounds; Neuromuscular Agents; Nicotinic Antagonists; Amines; Central Nervous System Depressants; Onium Compounds; Neuromuscular-Blocking Agents (Nondepolarizing); Cholinesterase Inhibitors; Neurotransmitter Agents; Agents producing tachycardia; Cholinergic Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents [I-].[I-].[I-].CC[N+](CC)(CC)CCOC1=CC=CC(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC 6473 46508651 PA164745088 DAP001127 Gallamine_triethiodide CHEMBL1200993 4639 DB00483 Gallamine triethiodide BE0000247 CHRM5 P08912 ACM5_HUMAN 16641315 "Prilla S, Schrobang J, Ellis J, Holtje HD, Mohr K: Allosteric interactions with muscarinic acetylcholine receptors: complex role of the conserved tryptophan M2422Trp in a critical cluster of amino acids for baseline affinity, subtype selectivity, and cooperativity. Mol Pharmacol. 2006 Jul;70(1):181-93. Epub 2006 Apr 26." Approved Phenol ethers Organic compounds; Benzenoids; Phenol ethers Anticholinergic Agents; Muscarinic Antagonists; Quaternary Ammonium Compounds; Neuromuscular Agents; Nicotinic Antagonists; Amines; Central Nervous System Depressants; Onium Compounds; Neuromuscular-Blocking Agents (Nondepolarizing); Cholinesterase Inhibitors; Neurotransmitter Agents; Agents producing tachycardia; Cholinergic Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents [I-].[I-].[I-].CC[N+](CC)(CC)CCOC1=CC=CC(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC 6473 46508651 PA164745088 DAP001127 Gallamine_triethiodide CHEMBL1200993 4639 DB00486 Nabilone BE0000061 CNR1 P21554 CNR1_HUMAN partial agonist 17139494; 11698062; 8981483; 10575283; 8864542; 11752352 "Davis M, Maida V, Daeninck P, Pergolizzi J: The emerging role of cannabinoid neuromodulators in symptom management. Support Care Cancer. 2007 Jan;15(1):63-71. Epub 2006 Dec 1.@@Darmani NA: The cannabinoid CB1 receptor antagonist SR 141716A reverses the antiemetic and motor depressant actions of WIN 55, 212-2. Eur J Pharmacol. 2001 Oct 26;430(1):49-58.@@Hirst RA, Almond SL, Lambert DG: Characterisation of the rat cerebella CB1 receptor using SR141716A, a central cannabinoid receptor antagonist. Neurosci Lett. 1996 Dec 13;220(2):101-4.@@Pertwee RG: Cannabis and cannabinoids: pharmacology and rationale for clinical use. Forsch Komplementarmed. 1999 Oct;6 Suppl 3:12-5.@@Pertwee RG, Fernando SR: Evidence for the presence of cannabinoid CB1 receptors in mouse urinary bladder. Br J Pharmacol. 1996 Aug;118(8):2053-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Naphthopyranones Organic compounds; Organoheterocyclic compounds; Naphthopyrans; Naphthopyranones Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2E1 Inhibitors; Psychotropic Drugs; Antiemetics and Antinauseants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Miscellaneous Antiemetics; Antiemetics [H][C@@]12CC(=O)CC[C@@]1([H])C(C)(C)OC1=CC(=CC(O)=C21)C(C)(C)CCCCCC 2071 46505171 D05099 PA164746998 DAP000067 Nabilone CHEMBL947 31447 DB00487 Pefloxacin BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Quinoline carboxylic acids Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids "Potential QTc-Prolonging Agents; Anti-Infective Agents; Topoisomerase II Inhibitors; Heterocyclic Compounds, Fused-Ring; Fluoroquinolones; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Topoisomerase Inhibitors; Anti-Bacterial Agents; Antibacterials for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Quinolones; Quinolines; Antiinfectives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCN(C)CC1 46507338 D02306 PA164742856 DAP001001 Pefloxacin CHEMBL267648 7960 DB00490 Buspirone BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 26535760 Howland RH: Buspirone: Back to the Future. J Psychosoc Nurs Ment Health Serv. 2015 Nov;53(11):21-4. doi: 10.3928/02793695-20151022-01. Approved; Investigational N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Piperazines; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Spiro Compounds; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Miscellaneous Anxiolytics Sedatives and Hypnotics; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Azaspirodecanedione Derivatives; Serotonin Agents; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A7 Substrates O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=NC=CC=N1 1890 46508113 D07593 PA448689 DAP000031 Buspirone CHEMBL49 1827 DB00490 Buspirone BE0004863 ADRA1A P25100 ADA1D_HUMAN partial agonist 26535760 Howland RH: Buspirone: Back to the Future. J Psychosoc Nurs Ment Health Serv. 2015 Nov;53(11):21-4. doi: 10.3928/02793695-20151022-01. Approved; Investigational N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Piperazines; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Spiro Compounds; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Miscellaneous Anxiolytics Sedatives and Hypnotics; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Azaspirodecanedione Derivatives; Serotonin Agents; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A7 Substrates O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=NC=CC=N1 1890 46508113 D07593 PA448689 DAP000031 Buspirone CHEMBL49 1827 DB00491 Miglitol BE0000876 GAA P10253 LYAG_HUMAN antagonist 19818342; 19085811 "Fukaya N, Mochizuki K, Tanaka Y, Kumazawa T, Jiuxin Z, Fuchigami M, Goda T: The alpha-glucosidase inhibitor miglitol delays the development of diabetes and dysfunctional insulin secretion in pancreatic beta-cells in OLETF rats. Eur J Pharmacol. 2009 Dec 10;624(1-3):51-7. doi: 10.1016/j.ejphar.2009.09.048. Epub 2009 Oct 7.@@Hirata A, Igarashi M, Iwai H, Tominaga M: Effect of miglitol, an alpha-glucosidase inhibitor, on atherogenic outcomes in balloon-injured diabetic rats. Horm Metab Res. 2009 Mar;41(3):213-20. doi: 10.1055/s-0028-1105919. Epub 2008 Dec 15." Approved Piperidines Organic compounds; Organoheterocyclic compounds; Piperidines Drugs Used in Diabetes; Imino Pyranoses; Piperidines; Glycoside Hydrolase Inhibitors; Oral Hypoglycemics; Enzyme Inhibitors; Hypoglycemia-Associated Agents; Carbohydrates; Imines; Alkaloids; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Imino Sugars OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO 46504492 D00625 PA164776726 DAP000712 Miglitol CHEMBL1561 30009 DB00491 Miglitol BE0004698 GANAB Q14697 GANAB_HUMAN antagonist 19818342; 19085811 "Fukaya N, Mochizuki K, Tanaka Y, Kumazawa T, Jiuxin Z, Fuchigami M, Goda T: The alpha-glucosidase inhibitor miglitol delays the development of diabetes and dysfunctional insulin secretion in pancreatic beta-cells in OLETF rats. Eur J Pharmacol. 2009 Dec 10;624(1-3):51-7. doi: 10.1016/j.ejphar.2009.09.048. Epub 2009 Oct 7.@@Hirata A, Igarashi M, Iwai H, Tominaga M: Effect of miglitol, an alpha-glucosidase inhibitor, on atherogenic outcomes in balloon-injured diabetic rats. Horm Metab Res. 2009 Mar;41(3):213-20. doi: 10.1055/s-0028-1105919. Epub 2008 Dec 15." Approved Piperidines Organic compounds; Organoheterocyclic compounds; Piperidines Drugs Used in Diabetes; Imino Pyranoses; Piperidines; Glycoside Hydrolase Inhibitors; Oral Hypoglycemics; Enzyme Inhibitors; Hypoglycemia-Associated Agents; Carbohydrates; Imines; Alkaloids; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Imino Sugars OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO 46504492 D00625 PA164776726 DAP000712 Miglitol CHEMBL1561 30009 DB00491 Miglitol BE0004699 GANC Q8TET4 GANC_HUMAN antagonist 19818342; 19085811 "Fukaya N, Mochizuki K, Tanaka Y, Kumazawa T, Jiuxin Z, Fuchigami M, Goda T: The alpha-glucosidase inhibitor miglitol delays the development of diabetes and dysfunctional insulin secretion in pancreatic beta-cells in OLETF rats. Eur J Pharmacol. 2009 Dec 10;624(1-3):51-7. doi: 10.1016/j.ejphar.2009.09.048. Epub 2009 Oct 7.@@Hirata A, Igarashi M, Iwai H, Tominaga M: Effect of miglitol, an alpha-glucosidase inhibitor, on atherogenic outcomes in balloon-injured diabetic rats. Horm Metab Res. 2009 Mar;41(3):213-20. doi: 10.1055/s-0028-1105919. Epub 2008 Dec 15." Approved Piperidines Organic compounds; Organoheterocyclic compounds; Piperidines Drugs Used in Diabetes; Imino Pyranoses; Piperidines; Glycoside Hydrolase Inhibitors; Oral Hypoglycemics; Enzyme Inhibitors; Hypoglycemia-Associated Agents; Carbohydrates; Imines; Alkaloids; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Imino Sugars OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO 46504492 D00625 PA164776726 DAP000712 Miglitol CHEMBL1561 30009 DB00491 Miglitol BE0000837 MGAM O43451 MGA_HUMAN antagonist 9951949; 16817895; 19818342; 11752352 "Mooradian AD, Thurman JE: Drug therapy of postprandial hyperglycaemia. Drugs. 1999 Jan;57(1):19-29.@@Rossi EJ, Sim L, Kuntz DA, Hahn D, Johnston BD, Ghavami A, Szczepina MG, Kumar NS, Sterchi EE, Nichols BL, Pinto BM, Rose DR: Inhibition of recombinant human maltase glucoamylase by salacinol and derivatives. FEBS J. 2006 Jun;273(12):2673-83.@@Fukaya N, Mochizuki K, Tanaka Y, Kumazawa T, Jiuxin Z, Fuchigami M, Goda T: The alpha-glucosidase inhibitor miglitol delays the development of diabetes and dysfunctional insulin secretion in pancreatic beta-cells in OLETF rats. Eur J Pharmacol. 2009 Dec 10;624(1-3):51-7. doi: 10.1016/j.ejphar.2009.09.048. Epub 2009 Oct 7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Piperidines Organic compounds; Organoheterocyclic compounds; Piperidines Drugs Used in Diabetes; Imino Pyranoses; Piperidines; Glycoside Hydrolase Inhibitors; Oral Hypoglycemics; Enzyme Inhibitors; Hypoglycemia-Associated Agents; Carbohydrates; Imines; Alkaloids; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Imino Sugars OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO 46504492 D00625 PA164776726 DAP000712 Miglitol CHEMBL1561 30009 DB00493 Cefotaxime BE0001018 SLC15A1 P46059 S15A1_HUMAN 15567297 "Luckner P, Brandsch M: Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1. Eur J Pharm Biopharm. 2005 Jan;59(1):17-24." Approved Cephalosporin 3'-esters Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams "beta-Lactams; Cephacetrile; Thiazines; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Heterocyclic Compounds, Fused-Ring; Lactams; Third-Generation Cephalosporins; Agents that reduce seizure threshold; Cephalosporins; Anti-Bacterial Agents; Antibacterials for Systemic Use; Nephrotoxic agents; Amides; Sulfur Compounds; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use" [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O 11268 46506911 D07647 PA448852 DAP000146 Cefotaxime CHEMBL1730 2186 DB00493 Cefotaxime BE0001134 SLC15A2 Q16348 S15A2_HUMAN 21741846 "Pedretti A, De Luca L, Marconi C, Regazzoni L, Aldini G, Vistoli G: Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping. Bioorg Med Chem. 2011 Aug 1;19(15):4544-51. doi: 10.1016/j.bmc.2011.06.027. Epub 2011 Jun 16." Approved Cephalosporin 3'-esters Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams "beta-Lactams; Cephacetrile; Thiazines; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Heterocyclic Compounds, Fused-Ring; Lactams; Third-Generation Cephalosporins; Agents that reduce seizure threshold; Cephalosporins; Anti-Bacterial Agents; Antibacterials for Systemic Use; Nephrotoxic agents; Amides; Sulfur Compounds; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use" [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O 11268 46506911 D07647 PA448852 DAP000146 Cefotaxime CHEMBL1730 2186 DB00494 Entacapone BE0002089 COMT P21964 COMT_HUMAN inhibitor 11752352; 11440283; 10981253; 10439935; 11939936; 12876237; 12538800; 11873938; 10882160; 9808337 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Najib J: Entacapone: a catechol-O-methyltransferase inhibitor for the adjunctive treatment of Parkinson's disease. Clin Ther. 2001 Jun;23(6):802-32; discussion 771.@@Chong BS, Mersfelder TL: Entacapone. Ann Pharmacother. 2000 Sep;34(9):1056-65.@@Holm KJ, Spencer CM: Entacapone. A review of its use in Parkinson's disease. Drugs. 1999 Jul;58(1):159-77.@@Poewe WH, Deuschl G, Gordin A, Kultalahti ER, Leinonen M: Efficacy and safety of entacapone in Parkinson's disease patients with suboptimal levodopa response: a 6-month randomized placebo-controlled double-blind study in Germany and Austria (Celomen study). Acta Neurol Scand. 2002 Apr;105(4):245-55.@@Brooks DJ, Sagar H: Entacapone is beneficial in both fluctuating and non-fluctuating patients with Parkinson's disease: a randomised, placebo controlled, double blind, six month study. J Neurol Neurosurg Psychiatry. 2003 Aug;74(8):1071-9.@@Forsberg M, Lehtonen M, Heikkinen M, Savolainen J, Jarvinen T, Mannisto PT: Pharmacokinetics and pharmacodynamics of entacapone and tolcapone after acute and repeated administration: a comparative study in the rat. J Pharmacol Exp Ther. 2003 Feb;304(2):498-506.@@Tai CH, Wu RM: Catechol-O-methyltransferase and Parkinson's disease. Acta Med Okayama. 2002 Feb;56(1):1-6.@@Kaakkola S: Clinical pharmacology, therapeutic use and potential of COMT inhibitors in Parkinson's disease. Drugs. 2000 Jun;59(6):1233-50.@@Ruottinen HM, Rinne UK: COMT inhibition in the treatment of Parkinson's disease. J Neurol. 1998 Nov;245(11 Suppl 3):P25-34." Approved; Investigational Hydroxycinnamic acids and derivatives Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives Cytochrome P-450 CYP2D6 Inhibitors; Anti-Parkinson Drugs; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Phenols; UGT1A9 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (weak); Nervous System; Benzene Derivatives; Dopamine Agents; Anti-Dyskinesia Agents; COMT Inhibitors CCN(CC)C(=O)C(=C\C1=CC(=C(O)C(O)=C1)[N+]([O-])=O)\C#N 12126 46508734 D00781 PA164748726 DAP000608 Entacapone CHEMBL953 60307 DB00495 Zidovudine BE0002449 TERT O14746 TERT_HUMAN inhibitor 23303810 "Leeansyah E, Cameron PU, Solomon A, Tennakoon S, Velayudham P, Gouillou M, Spelman T, Hearps A, Fairley C, Smit de V, Pierce AB, Armishaw J, Crowe SM, Cooper DA, Koelsch KK, Liu JP, Chuah J, Lewin SR: Inhibition of telomerase activity by human immunodeficiency virus (HIV) nucleos(t)ide reverse transcriptase inhibitors: a potential factor contributing to HIV-associated accelerated aging. J Infect Dis. 2013 Apr;207(7):1157-65. doi: 10.1093/infdis/jit006. Epub 2013 Jan 9." Approved "Pyrimidine 2',3'-dideoxyribonucleosides" "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2',3'-dideoxyribonucleosides" "Myelosuppressive Agents; UGT1A1 Inducers; Antiviral Agents; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Nucleosides; Antimetabolites; Cytochrome P-450 CYP3A Substrates; Reverse Transcriptase Inhibitors; Noxae; Nucleoside Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; P-glycoprotein substrates; Dideoxynucleosides; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Nucleoside and Nucleotide Reverse Transcriptase Inhibitors; Cytochrome P-450 CYP2A6 Substrates; Nucleic Acid Synthesis Inhibitors; Deoxyribonucleosides; Antivirals for Systemic Use; Antivirals used in combination for the treatment of HIV infections; Anti-HIV Agents; OAT1/SLC22A6 Substrates; Direct Acting Antivirals; Nucleic Acids, Nucleotides, and Nucleosides; Cytochrome P-450 CYP3A4 Substrates; Anti-Retroviral Agents; Immunosuppressive Agents; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Pyrimidines; Human Immunodeficiency Virus Nucleoside Analog Reverse Transcriptase Inhibitor; Toxic Actions; Pyrimidine Nucleosides" CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O Zidovudine Action Pathway drug_action 1185 46508240 D00413 PA451954 DAP000701 Zidovudine CHEMBL129 11413 DB00496 Darifenacin BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 20395537; 19416629; 18046909; 11752352 "Bharucha AE, Ravi K, Zinsmeister AR: Comparison of selective M3 and nonselective muscarinic receptor antagonists on gastrointestinal transit and bowel habits in humans. Am J Physiol Gastrointest Liver Physiol. 2010 Jul;299(1):G215-9. doi: 10.1152/ajpgi.00072.2010. Epub 2010 Apr 15.@@Bozkurt TE, Sahin-Erdemli I: M(1) and M(3) muscarinic receptors are involved in the release of urinary bladder-derived relaxant factor. Pharmacol Res. 2009 May;59(5):300-5. doi: 10.1016/j.phrs.2009.01.013. Epub 2009 Feb 5.@@Jha S, Parsons M: Treatment of overactive bladder in the aging population: focus on darifenacin. Clin Interv Aging. 2006;1(4):309-16.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Urological Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate)" NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3)C=C2)C1)(C1=CC=CC=C1)C1=CC=CC=C1 17051 46508104 D01699 PA164774901 DAP001131 Darifenacin CHEMBL1346 136198 DB00496 Darifenacin BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 18046909; 10374898 "Jha S, Parsons M: Treatment of overactive bladder in the aging population: focus on darifenacin. Clin Interv Aging. 2006;1(4):309-16.@@Moriya H, Takagi Y, Nakanishi T, Hayashi M, Tani T, Hirotsu I: Affinity profiles of various muscarinic antagonists for cloned human muscarinic acetylcholine receptor (mAChR) subtypes and mAChRs in rat heart and submandibular gland. Life Sci. 1999;64(25):2351-8." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Urological Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate)" NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3)C=C2)C1)(C1=CC=CC=C1)C1=CC=CC=C1 17051 46508104 D01699 PA164774901 DAP001131 Darifenacin CHEMBL1346 136198 DB00496 Darifenacin BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 10374898; 18046909 "Moriya H, Takagi Y, Nakanishi T, Hayashi M, Tani T, Hirotsu I: Affinity profiles of various muscarinic antagonists for cloned human muscarinic acetylcholine receptor (mAChR) subtypes and mAChRs in rat heart and submandibular gland. Life Sci. 1999;64(25):2351-8.@@Jha S, Parsons M: Treatment of overactive bladder in the aging population: focus on darifenacin. Clin Interv Aging. 2006;1(4):309-16." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Urological Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate)" NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3)C=C2)C1)(C1=CC=CC=C1)C1=CC=CC=C1 17051 46508104 D01699 PA164774901 DAP001131 Darifenacin CHEMBL1346 136198 DB00497 Oxycodone BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 17525040; 18039433; 19474215 "Ordonez Gallego A, Gonzalez Baron M, Espinosa Arranz E: Oxycodone: a pharmacological and clinical review. Clin Transl Oncol. 2007 May;9(5):298-307.@@Riley J, Eisenberg E, Muller-Schwefe G, Drewes AM, Arendt-Nielsen L: Oxycodone: a review of its use in the management of pain. Curr Med Res Opin. 2008 Jan;24(1):175-92.@@Dietis N, Guerrini R, Calo G, Salvadori S, Rowbotham DJ, Lambert DG: Simultaneous targeting of multiple opioid receptors: a strategy to improve side-effect profile. Br J Anaesth. 2009 Jul;103(1):38-49. doi: 10.1093/bja/aep129. Epub 2009 May 27." Approved; Illicit; Investigational Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Semi-synthetic Opioids; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Natural Opium Alkaloids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Cytochrome P-450 CYP3A5 Substrates; Morphine Derivatives; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opiate Agonists; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; Nervous System; Opiate Alkaloids; Opioids" COC1=C2O[C@H]3C(=O)CC[C@@]4(O)[C@H]5CC(C=C1)=C2[C@@]34CCN5C Oxycodone Action Pathway drug_action 6167 46508908 D05312 PA450741 DAP000283 Oxycodone CHEMBL656 7804 DB00497 Oxycodone BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 17525040; 11752352 "Ordonez Gallego A, Gonzalez Baron M, Espinosa Arranz E: Oxycodone: a pharmacological and clinical review. Clin Transl Oncol. 2007 May;9(5):298-307.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Illicit; Investigational Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Semi-synthetic Opioids; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Natural Opium Alkaloids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Cytochrome P-450 CYP3A5 Substrates; Morphine Derivatives; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opiate Agonists; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; Nervous System; Opiate Alkaloids; Opioids" COC1=C2O[C@H]3C(=O)CC[C@@]4(O)[C@H]5CC(C=C1)=C2[C@@]34CCN5C Oxycodone Action Pathway drug_action 6167 46508908 D05312 PA450741 DAP000283 Oxycodone CHEMBL656 7804 DB00499 Flutamide BE0000132 AR P10275 ANDR_HUMAN antagonist 10500149; 10752671; 10822172; 10879806; 11162924; 12231070; 11752352 "Chang HC, Miyamoto H, Marwah P, Lardy H, Yeh S, Huang KE, Chang C: Suppression of Delta(5)-androstenediol-induced androgen receptor transactivation by selective steroids in human prostate cancer cells. Proc Natl Acad Sci U S A. 1999 Sep 28;96(20):11173-7.@@Martelli A, Campart GB, Carrozzino R, Ghia M, Mattioli F, Mereto E, Orsi P, Puglia CP: Evaluation of flutamide genotoxicity in rats and in primary human hepatocytes. Pharmacol Toxicol. 2000 Mar;86(3):129-34.@@Montalvo L, Carmena MJ, Solano RM, Clemente C, Roman ID, Sanchez-Chapado M, Prieto JC: Effect of flutamide-induced androgen-receptor blockade on adenylate cyclase activation through G-protein coupled receptors in rat prostate. Cell Signal. 2000 May;12(5):311-6.@@Pazos F, Sanchez-Franco F, Balsa JA, Escalada J, Palacios N, Cacicedo L: Mechanisms of reduced body growth in the pubertal feminized male rat: unbalanced estrogen and androgen action on the somatotropic axis. Pediatr Res. 2000 Jul;48(1):96-103.@@Shilling AD, Williams DE: The non-aromatizable androgen, dihydrotestosterone, induces antiestrogenic responses in the rainbow trout. J Steroid Biochem Mol Biol. 2000 Nov 15;74(4):187-94.@@Balk SP: Androgen receptor as a target in androgen-independent prostate cancer. Urology. 2002 Sep;60(3 Suppl 1):132-8; discussion 138-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes "Antiandrogens, non-steroidal; Amines; Cytochrome P-450 CYP3A Substrates; Amides; Hormone Antagonists; Cytochrome P-450 Substrates; Androgen Receptor Inhibitors; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates; Antiandrogens; Anilides; Cytochrome P-450 CYP3A4 Substrates; Androgen Receptor Antagonists; Methemoglobinemia Associated Agents; Aniline Compounds; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Antineoplastic Agents, Hormonal; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F 1847 46508874 D00586 PA449685 DAP000301 Flutamide CHEMBL806 4508 DB00499 Flutamide BE0003721 AHR P35869 AHR_HUMAN agonist 17327465 "Hu W, Sorrentino C, Denison MS, Kolaja K, Fielden MR: Induction of cyp1a1 is a nonspecific biomarker of aryl hydrocarbon receptor activation: results of large scale screening of pharmaceuticals and toxicants in vivo and in vitro. Mol Pharmacol. 2007 Jun;71(6):1475-86. Epub 2007 Feb 27." Approved; Investigational Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes "Antiandrogens, non-steroidal; Amines; Cytochrome P-450 CYP3A Substrates; Amides; Hormone Antagonists; Cytochrome P-450 Substrates; Androgen Receptor Inhibitors; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates; Antiandrogens; Anilides; Cytochrome P-450 CYP3A4 Substrates; Androgen Receptor Antagonists; Methemoglobinemia Associated Agents; Aniline Compounds; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Antineoplastic Agents, Hormonal; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F 1847 46508874 D00586 PA449685 DAP000301 Flutamide CHEMBL806 4508 DB00501 Cimetidine BE0000112 HRH2 P25021 HRH2_HUMAN antagonist 11752352; 10950107; 8863950; 16723495; 31334975; 12477078; 14528656; 6085389 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Hernandez-Munoz R, Montiel-Ruiz C, Vazquez-Martinez O: Gastric mucosal cell proliferation in ethanol-induced chronic mucosal injury is related to oxidative stress and lipid peroxidation in rats. Lab Invest. 2000 Aug;80(8):1161-9.@@Kuint J, Linder N, Reichman B: Hypoxemia associated with cimetidine therapy in a newborn infant. Am J Perinatol. 1996 Jul;13(5):301-3.@@Takahashi HK, Watanabe T, Yokoyama A, Iwagaki H, Yoshino T, Tanaka N, Nishibori M: Cimetidine induces interleukin-18 production through H2-agonist activity in monocytes. Mol Pharmacol. 2006 Aug;70(2):450-3. Epub 2006 May 24.@@Pino MA, Azer SA: Cimetidine .@@Duda D, Lorenz W, Celik I: Histamine release in mesenteric traction syndrome during abdominal aortic aneurysm surgery: prophylaxis with H1 and H2 antihistamines. Inflamm Res. 2002 Oct;51(10):495-9. doi: 10.1007/pl00012418.@@Duda D, Lorenz W, Celik I: [Mesenteric traction syndrome during the operation of aneurysms of the abdominal aorta--histamine release and prophylaxis with antihistaminics]. Anaesthesiol Reanim. 2003;28(4):97-103.@@Kirch W, Hutt HJ, Heidemann H, Ramsch K, Janisch HD, Ohnhaus EE: Drug interactions with nitrendipine. J Cardiovasc Pharmacol. 1984;6 Suppl 7:S982-5." Approved; Investigational Imidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Cytochrome P-450 CYP2D6 Inhibitors; MATE 1 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (weak); MATE 2 Substrates; OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Cytochrome P-450 CYP2D6 Inhibitors (weak); Drugs for Acid Related Disorders; P-glycoprotein inducers; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Gastrointestinal Agents; MATE 1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (moderate); OCT2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Anti-Ulcer Agents; Histamine H2 Antagonists; OCT1 substrates; Cytochrome P-450 Enzyme Inhibitors; Guanidines; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Adjuvants; Imidazoles; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Agents Causing Muscle Toxicity; Gastric Acid Lowering Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Acid Reducers; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (moderate); MATE 2 Inhibitors; Amidines; BSEP/ABCB11 Inhibitors; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); OCT1 inhibitors; Histamine Agents; MATE substrates; Chemically-Induced Disorders CN\C(NCCSCC1=C(C)NC=N1)=N\C#N Cimetidine Metabolism Pathway; Cimetidine Action Pathway drug_metabolism; drug_action 2164 46505360 D00295 PA449001 DAP000338 Cimetidine CHEMBL30 2541 DB00502 Haloperidol BE0000533 HTR2C P28335 5HT2C_HUMAN 12629531 "Kroeze WK, Hufeisen SJ, Popadak BA, Renock SM, Steinberg S, Ernsberger P, Jayathilake K, Meltzer HY, Roth BL: H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs. Neuropsychopharmacology. 2003 Mar;28(3):519-26." Approved Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Autonomic Agents; Gastrointestinal Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Butyrophenones; Ketones; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A9 Substrates; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 1903 46508794 D00136 PA449841 DAP000313 Haloperidol CHEMBL54 5093 DB00502 Haloperidol BE0000581 DRD3 P35462 DRD3_HUMAN inverse agonist 7520908; 19496999; 18831971; 16123775; 9536001 "Leysen JE, Janssen PM, Megens AA, Schotte A: Risperidone: a novel antipsychotic with balanced serotonin-dopamine antagonism, receptor occupancy profile, and pharmacologic activity. J Clin Psychiatry. 1994 May;55 Suppl:5-12.@@Tuppurainen H, Kuikka JT, Viinamaki H, Husso M, Tiihonen J: Dopamine D2/3 receptor binding potential and occupancy in midbrain and temporal cortex by haloperidol, olanzapine and clozapine. Psychiatry Clin Neurosci. 2009 Aug;63(4):529-37. doi: 10.1111/j.1440-1819.2009.01982.x. Epub 2009 May 22.@@Tadori Y, Forbes RA, McQuade RD, Kikuchi T: Characterization of aripiprazole partial agonist activity at human dopamine D3 receptors. Eur J Pharmacol. 2008 Nov 12;597(1-3):27-33. doi: 10.1016/j.ejphar.2008.09.008. Epub 2008 Sep 20.@@Kessler RM, Ansari MS, Riccardi P, Li R, Jayathilake K, Dawant B, Meltzer HY: Occupancy of striatal and extrastriatal dopamine D2/D3 receptors by olanzapine and haloperidol. Neuropsychopharmacology. 2005 Dec;30(12):2283-9.@@Malmberg, Mikaels, Mohell N: Agonist and inverse agonist activity at the dopamine D3 receptor measured by guanosine 5'--gamma-thio-triphosphate--35S- binding. J Pharmacol Exp Ther. 1998 Apr;285(1):119-26." Approved Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Autonomic Agents; Gastrointestinal Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Butyrophenones; Ketones; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A9 Substrates; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 1903 46508794 D00136 PA449841 DAP000313 Haloperidol CHEMBL54 5093 DB00502 Haloperidol BE0000442 HRH1 P35367 HRH1_HUMAN 12629531 "Kroeze WK, Hufeisen SJ, Popadak BA, Renock SM, Steinberg S, Ernsberger P, Jayathilake K, Meltzer HY, Roth BL: H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs. Neuropsychopharmacology. 2003 Mar;28(3):519-26." Approved Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Autonomic Agents; Gastrointestinal Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Butyrophenones; Ketones; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A9 Substrates; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 1903 46508794 D00136 PA449841 DAP000313 Haloperidol CHEMBL54 5093 DB00502 Haloperidol BE0000045 CHRM3 P20309 ACM3_HUMAN 12629531 "Kroeze WK, Hufeisen SJ, Popadak BA, Renock SM, Steinberg S, Ernsberger P, Jayathilake K, Meltzer HY, Roth BL: H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs. Neuropsychopharmacology. 2003 Mar;28(3):519-26." Approved Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Autonomic Agents; Gastrointestinal Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Butyrophenones; Ketones; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A9 Substrates; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 1903 46508794 D00136 PA449841 DAP000313 Haloperidol CHEMBL54 5093 DB00502 Haloperidol BE0000650 HTR7 P34969 5HT7R_HUMAN 12629531 "Kroeze WK, Hufeisen SJ, Popadak BA, Renock SM, Steinberg S, Ernsberger P, Jayathilake K, Meltzer HY, Roth BL: H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs. Neuropsychopharmacology. 2003 Mar;28(3):519-26." Approved Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Autonomic Agents; Gastrointestinal Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Butyrophenones; Ketones; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A9 Substrates; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 1903 46508794 D00136 PA449841 DAP000313 Haloperidol CHEMBL54 5093 DB00502 Haloperidol BE0000417 GRIN2B Q13224 NMDE2_HUMAN antagonist 16407246; 17092607; 17588330; 11752352; 11741727; 11102491; 9572299 "Hattori K, Uchino S, Isosaka T, Maekawa M, Iyo M, Sato T, Kohsaka S, Yagi T, Yuasa S: Fyn is required for haloperidol-induced catalepsy in mice. J Biol Chem. 2006 Mar 17;281(11):7129-35. Epub 2006 Jan 10.@@Zhuravliova E, Barbakadze T, Natsvlishvili N, Mikeladze DG: Haloperidol induces neurotoxicity by the NMDA receptor downstream signaling pathway, alternative from glutamate excitotoxicity. Neurochem Int. 2007 Jun;50(7-8):976-82. Epub 2006 Nov 7.@@Gu WH, Yang S, Shi WX, Zhen XC, Jin GZ: Effects of (-)-stepholidine on NMDA receptors: comparison with haloperidol and clozapine. Acta Pharmacol Sin. 2007 Jul;28(7):953-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Steinmetz RD, Fava E, Nicotera P, Steinhilber D: A simple cell line based in vitro test system for N-methyl-D-aspartate (NMDA) receptor ligands. J Neurosci Methods. 2002 Jan 15;113(1):99-110.@@Sinor JD, Du S, Venneti S, Blitzblau RC, Leszkiewicz DN, Rosenberg PA, Aizenman E: NMDA and glutamate evoke excitotoxicity at distinct cellular locations in rat cortical neurons in vitro. J Neurosci. 2000 Dec 1;20(23):8831-7.@@Gallagher MJ, Huang H, Lynch DR: Modulation of the N-methyl-D-aspartate receptor by haloperidol: NR2B-specific interactions. J Neurochem. 1998 May;70(5):2120-8." Approved Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Autonomic Agents; Gastrointestinal Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Butyrophenones; Ketones; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A9 Substrates; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 1903 46508794 D00136 PA449841 DAP000313 Haloperidol CHEMBL54 5093 DB00504 Levallorphan BE0000770 OPRM1 P35372 OPRM_HUMAN partial agonist 8968334; 7723747; 9016350; 8819494; 9862398 "Picker MJ, Benyas S, Horwitz JA, Thompson K, Mathewson C, Smith MA: Discriminative stimulus effects of butorphanol: influence of training dose on the substitution patterns produced by Mu, Kappa and Delta opioid agonists. J Pharmacol Exp Ther. 1996 Dec;279(3):1130-41.@@Traynor JR, Nahorski SR: Modulation by mu-opioid agonists of guanosine-5'-O-(3-[35S]thio)triphosphate binding to membranes from human neuroblastoma SH-SY5Y cells. Mol Pharmacol. 1995 Apr;47(4):848-54.@@Selley DE, Sim LJ, Xiao R, Liu Q, Childers SR: mu-Opioid receptor-stimulated guanosine-5'-O-(gamma-thio)-triphosphate binding in rat thalamus and cultured cell lines: signal transduction mechanisms underlying agonist efficacy. Mol Pharmacol. 1997 Jan;51(1):87-96.@@Emmerson PJ, Clark MJ, Mansour A, Akil H, Woods JH, Medzihradsky F: Characterization of opioid agonist efficacy in a C6 glioma cell line expressing the mu opioid receptor. J Pharmacol Exp Ther. 1996 Sep;278(3):1121-7.@@Morgan D, Picker MJ: The mu opioid irreversible antagonist beta-funaltrexamine differentiates the discriminative stimulus effects of opioids with high and low efficacy at the mu opioid receptor. Psychopharmacology (Berl). 1998 Nov;140(1):20-8." Approved Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Alkaloids; Opioid Antagonists; Opiate Alkaloids; Peripheral Nervous System Agents" [H][C@@]12CCCC[C@@]11CCN(CC=C)[C@@H]2CC2=C1C=C(O)C=C2 Levallorphan Action Pathway drug_action 46505682 PA164749284 DAP000348 Levallorphan CHEMBL1254682 6370 DB00505 Tridihexethyl BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Withdrawn Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Nitrogen Compounds; Anticholinergic Agents; Muscarinic Antagonists; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Onium Compounds; Amines; Drugs for Functional Gastrointestinal Disorders; Ammonium Compounds; Agents producing tachycardia; Alimentary Tract and Metabolism" CC[N+](CC)(CC)CCC(O)(C1CCCCC1)C1=CC=CC=C1 46506672 PA164746229 DAP000836 Tridihexethyl CHEMBL1201354 38617 DB00505 Tridihexethyl BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Withdrawn Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Nitrogen Compounds; Anticholinergic Agents; Muscarinic Antagonists; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Onium Compounds; Amines; Drugs for Functional Gastrointestinal Disorders; Ammonium Compounds; Agents producing tachycardia; Alimentary Tract and Metabolism" CC[N+](CC)(CC)CCC(O)(C1CCCCC1)C1=CC=CC=C1 46506672 PA164746229 DAP000836 Tridihexethyl CHEMBL1201354 38617 DB00508 Triflupromazine BE0000393 HTR2B P41595 5HT2B_HUMAN antagonist 17139284; 17016423; 497523; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Cooper M, Wyllie JH: Some properties of 5-hydroxytryptamine receptors in the hindquarters of the rat. Br J Pharmacol. 1979 Sep;67(1):79-85.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Vet_approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Phenothiazines; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin Receptor Antagonists; Agents producing tachycardia; Autonomic Agents; Gastrointestinal Agents; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Peripheral Nervous System Agents; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; Antiemetics; Nervous System; Sulfur Compounds; Dopamine Agents" CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F 46507344 D00390 PA451773 DAP000294 Triflupromazine CHEMBL570 10805 DB00508 Triflupromazine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 17139284; 17016423; 4152054 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Snyder S, Greenberg D, Yamamura HI: Antischizophrenic drugs and brain cholinergic receptors. Affinity for muscarinic sites predicts extrapyramidal effects. Arch Gen Psychiatry. 1974 Jul;31(1):58-61." Approved; Vet_approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Phenothiazines; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin Receptor Antagonists; Agents producing tachycardia; Autonomic Agents; Gastrointestinal Agents; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Peripheral Nervous System Agents; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; Antiemetics; Nervous System; Sulfur Compounds; Dopamine Agents" CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F 46507344 D00390 PA451773 DAP000294 Triflupromazine CHEMBL570 10805 DB00509 Dextrothyroxine BE0000687 THRA P10827 THA_HUMAN agonist 15283690; 12955882; 15240882; 15235154; 14596673; 17315033 "Jiang W, Miyamoto T, Kakizawa T, Sakuma T, Nishio S, Takeda T, Suzuki S, Hashizume K: Expression of thyroid hormone receptor alpha in 3T3-L1 adipocytes; triiodothyronine increases the expression of lipogenic enzyme and triglyceride accumulation. J Endocrinol. 2004 Aug;182(2):295-302.@@Kariv R, Enden A, Zvibel I, Rosner G, Brill S, Shafritz DA, Halpern Z, Oren R: Triiodothyronine and interleukin-6 (IL-6) induce expression of HGF in an immortalized rat hepatic stellate cell line. Liver Int. 2003 Jun;23(3):187-93.@@Mai W, Janier MF, Allioli N, Quignodon L, Chuzel T, Flamant F, Samarut J: Thyroid hormone receptor alpha is a molecular switch of cardiac function between fetal and postnatal life. Proc Natl Acad Sci U S A. 2004 Jul 13;101(28):10332-7. Epub 2004 Jul 6.@@Sciaudone MP, Yao L, Schaller M, Zinn SA, Freake HC: Diethylenetriaminepentaacetic acid enhances thyroid hormone action by a transcriptional mechanism. Biol Trace Elem Res. 2004 Summer;99(1-3):219-31.@@Timmer DC, Bakker O, Wiersinga WM: Triiodothyronine affects the alternative splicing of thyroid hormone receptor alpha mRNA. J Endocrinol. 2003 Nov;179(2):217-25.@@Bernal J: Thyroid hormone receptors in brain development and function. Nat Clin Pract Endocrinol Metab. 2007 Mar;3(3):249-59." Approved; Investigational Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Cyclic; Lipid Modifying Agents, Plain; Hormones; Lipid Modifying Agents; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Hormones, Hormone Substitutes, and Hormone Antagonists" N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O 9800 46508471 PA164752444 Dextrothyroxine CHEMBL559 3292 DB00509 Dextrothyroxine BE0000315 THRB P10828 THB_HUMAN agonist 17315033; 12668276; 17016423; 17139284; 12776178; 10592235; 16099238 "Bernal J: Thyroid hormone receptors in brain development and function. Nat Clin Pract Endocrinol Metab. 2007 Mar;3(3):249-59.@@Gonzalez-Sancho JM, Garcia V, Bonilla F, Munoz A: Thyroid hormone receptors/THR genes in human cancer. Cancer Lett. 2003 Mar 31;192(2):121-32.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Yen PM, Feng X, Flamant F, Chen Y, Walker RL, Weiss RE, Chassande O, Samarut J, Refetoff S, Meltzer PS: Effects of ligand and thyroid hormone receptor isoforms on hepatic gene expression profiles of thyroid hormone receptor knockout mice. EMBO Rep. 2003 Jun;4(6):581-7.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Wu SY, Sadow PM, Refetoff S, Weiss RE: Tissue responses to thyroid hormone in a kindred with resistance to thyroid hormone harboring a commonly occurring mutation in the thyroid hormone receptor beta gene (P453T). J Lab Clin Med. 2005 Aug;146(2):85-94." Approved; Investigational Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Cyclic; Lipid Modifying Agents, Plain; Hormones; Lipid Modifying Agents; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Hormones, Hormone Substitutes, and Hormone Antagonists" N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O 9800 46508471 PA164752444 Dextrothyroxine CHEMBL559 3292 DB00511 Acetyldigitoxin BE0000732 ATP1A1 P05023 AT1A1_HUMAN inhibitor 2826993 "Gonzalez-Garcia C, Cena V, Klein DC: Characterization of the alpha +-like Na+,K+-ATPase which mediates ouabain inhibition of adrenergic induction of N-acetyltransferase (EC 2.3.1.87) activity: studies with isolated pinealocytes. Mol Pharmacol. 1987 Dec;32(6):792-7." Approved Cardenolide glycosides and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones "Antiarrhythmic agents; Fused-Ring Compounds; Cardiovascular Agents; Steroids; Cardanolides; Glycosides; Cardiac Therapy; Enzyme Inhibitors; Carbohydrates; Digitalis Glycosides; Protective Agents; Compounds used in a research, industrial, or household setting; Cardiac Glycosides; Cardenolides; Cardiotonic Agents" [H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1 46507229 D06881 PA164746246 DAP000119 Acetyldigitoxin CHEMBL3545057 132871 DB00513 Aminocaproic acid BE0001088 PLAT P00750 TPA_HUMAN antagonist 2502209; 3146348; 7962113; 8073394 "Husain SS, Hasan AA, Budzynski AZ: Differences between binding of one-chain and two-chain tissue plasminogen activators to non-cross-linked and cross-linked fibrin clots. Blood. 1989 Aug 15;74(3):999-1006.@@Urano T, Sator de Serrano V, Gaffney PJ, Castellino FJ: Effectors of the activation of human [Glu1]plasminogen by human tissue plasminogen activator. Biochemistry. 1988 Aug 23;27(17):6522-8.@@Tran-Thang C, Vouillamoz D, Kruithof EK, Sordat B: Human Co115 colon carcinoma cells potentiate the degradation of laminin mediated by tissue-type plasminogen activator. J Cell Physiol. 1994 Nov;161(2):285-92.@@Krishnamurti C, Vukelja SJ, Alving BM: Inhibitory effects of lysine analogues on t-PA induced whole blood clot lysis. Thromb Res. 1994 Mar 15;73(6):419-30." Approved; Investigational Medium-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Amino Acids; Aminocaproates; Antifibrinolytic Agents; Blood and Blood Forming Organs; Coagulants; Hemostatics; Hematologic Agents; Caproates; Acids, Acyclic; Decreased Fibrinolysis; Fibrin Modulating Agents; Amino Acids, Peptides, and Proteins" NCCCCCC(O)=O Aminocaproic Acid Action Pathway drug_action 2000 46506934 D00160 PA164774947 DAP000200 Aminocaproic_acid CHEMBL1046 99 DB00514 Dextromethorphan BE0000641 GRIN3A Q8TCU5 NMD3A_HUMAN antagonist 17139284; 17016423; 10064839; 2897648; 18812887 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chou YC, Liao JF, Chang WY, Lin MF, Chen CF: Binding of dimemorfan to sigma-1 receptor and its anticonvulsant and locomotor effects in mice, compared with dextromethorphan and dextrorphan. Brain Res. 1999 Mar 13;821(2):516-9.@@Wong BY, Coulter DA, Choi DW, Prince DA: Dextrorphan and dextromethorphan, common antitussives, are antiepileptic and antagonize N-methyl-D-aspartate in brain slices. Neurosci Lett. 1988 Feb 29;85(2):261-6.@@Kamel IR, Wendling WW, Chen D, Wendling KS, Harakal C, Carlsson C: N-methyl-D-aspartate (NMDA) antagonists--S(+)-ketamine, dextrorphan, and dextromethorphan--act as calcium antagonists on bovine cerebral arteries. J Neurosurg Anesthesiol. 2008 Oct;20(4):241-8. doi: 10.1097/ANA.0b013e31817f523f." Approved Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "UGT2B7 substrates; Nicotinic Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; UGT2B17 substrates; Antidepressive Agents; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Sigma-1 Receptor Agonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Alkaloids; Uncompetitive NMDA Receptor Antagonists; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Sigma-1 Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Phenanthrenes; Serotonin Agents; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cough and Cold Preparations; Nervous System; Uncompetitive N-methyl-D-aspartate Receptor Antagonist; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids" [H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2 2173 46506530 D03742 PA449273 DNC000541 Dextromethorphan CHEMBL52440 3289 DB00514 Dextromethorphan BE0003585 CHRNA3 P32297 ACHA3_HUMAN antagonist 15356218 "Damaj MI, Flood P, Ho KK, May EL, Martin BR: Effect of dextrometorphan and dextrorphan on nicotine and neuronal nicotinic receptors: in vitro and in vivo selectivity. J Pharmacol Exp Ther. 2005 Feb;312(2):780-5. Epub 2004 Sep 8." Approved Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "UGT2B7 substrates; Nicotinic Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; UGT2B17 substrates; Antidepressive Agents; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Sigma-1 Receptor Agonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Alkaloids; Uncompetitive NMDA Receptor Antagonists; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Sigma-1 Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Phenanthrenes; Serotonin Agents; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cough and Cold Preparations; Nervous System; Uncompetitive N-methyl-D-aspartate Receptor Antagonist; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids" [H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2 2173 46506530 D03742 PA449273 DNC000541 Dextromethorphan CHEMBL52440 3289 DB00514 Dextromethorphan BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 15356218 "Damaj MI, Flood P, Ho KK, May EL, Martin BR: Effect of dextrometorphan and dextrorphan on nicotine and neuronal nicotinic receptors: in vitro and in vivo selectivity. J Pharmacol Exp Ther. 2005 Feb;312(2):780-5. Epub 2004 Sep 8." Approved Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "UGT2B7 substrates; Nicotinic Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; UGT2B17 substrates; Antidepressive Agents; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Sigma-1 Receptor Agonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Alkaloids; Uncompetitive NMDA Receptor Antagonists; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Sigma-1 Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Phenanthrenes; Serotonin Agents; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cough and Cold Preparations; Nervous System; Uncompetitive N-methyl-D-aspartate Receptor Antagonist; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids" [H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2 2173 46506530 D03742 PA449273 DNC000541 Dextromethorphan CHEMBL52440 3289 DB00514 Dextromethorphan BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 7562497; 8764759 "Codd EE, Shank RP, Schupsky JJ, Raffa RB: Serotonin and norepinephrine uptake inhibiting activity of centrally acting analgesics: structural determinants and role in antinociception. J Pharmacol Exp Ther. 1995 Sep;274(3):1263-70.@@Raffa RB: A novel approach to the pharmacology of analgesics. Am J Med. 1996 Jul 31;101(1A):40S-46S. doi: 10.1016/s0002-9343(96)00137-4." Approved Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "UGT2B7 substrates; Nicotinic Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; UGT2B17 substrates; Antidepressive Agents; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Sigma-1 Receptor Agonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Alkaloids; Uncompetitive NMDA Receptor Antagonists; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Sigma-1 Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Phenanthrenes; Serotonin Agents; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cough and Cold Preparations; Nervous System; Uncompetitive N-methyl-D-aspartate Receptor Antagonist; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids" [H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2 2173 46506530 D03742 PA449273 DNC000541 Dextromethorphan CHEMBL52440 3289 DB00514 Dextromethorphan BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 7562497 "Codd EE, Shank RP, Schupsky JJ, Raffa RB: Serotonin and norepinephrine uptake inhibiting activity of centrally acting analgesics: structural determinants and role in antinociception. J Pharmacol Exp Ther. 1995 Sep;274(3):1263-70." Approved Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "UGT2B7 substrates; Nicotinic Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; UGT2B17 substrates; Antidepressive Agents; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Sigma-1 Receptor Agonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Alkaloids; Uncompetitive NMDA Receptor Antagonists; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Sigma-1 Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Phenanthrenes; Serotonin Agents; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cough and Cold Preparations; Nervous System; Uncompetitive N-methyl-D-aspartate Receptor Antagonist; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids" [H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2 2173 46506530 D03742 PA449273 DNC000541 Dextromethorphan CHEMBL52440 3289 DB00514 Dextromethorphan BE0004904 CYBB P15153 RAC2_HUMAN inhibitor 14734632; 29581121 "Zhang W, Wang T, Qin L, Gao HM, Wilson B, Ali SF, Zhang W, Hong JS, Liu B: Neuroprotective effect of dextromethorphan in the MPTP Parkinson's disease model: role of NADPH oxidase. FASEB J. 2004 Mar;18(3):589-91. Epub 2004 Jan 20.@@Chen CL, Cheng MH, Kuo CF, Cheng YL, Li MH, Chang CP, Wu JJ, Anderson R, Wang S, Tsai PJ, Liu CC, Lin YS: Dextromethorphan Attenuates NADPH Oxidase-Regulated Glycogen Synthase Kinase 3beta and NF-kappaB Activation and Reduces Nitric Oxide Production in Group A Streptococcal Infection. Antimicrob Agents Chemother. 2018 May 25;62(6). pii: AAC.02045-17. doi: 10.1128/AAC.02045-17. Print 2018 Jun." Approved Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "UGT2B7 substrates; Nicotinic Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; UGT2B17 substrates; Antidepressive Agents; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Sigma-1 Receptor Agonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Alkaloids; Uncompetitive NMDA Receptor Antagonists; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Sigma-1 Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Phenanthrenes; Serotonin Agents; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cough and Cold Preparations; Nervous System; Uncompetitive N-methyl-D-aspartate Receptor Antagonist; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids" [H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2 2173 46506530 D03742 PA449273 DNC000541 Dextromethorphan CHEMBL52440 3289 DB00515 Cisplatin BE0000910 A2M P01023 A2MG_HUMAN 16773208 "Khalaila I, Bergamo A, Bussy F, Sava G, Dyson PJ: The role of cisplatin and NAMI-A plasma-protein interactions in relation to combination therapy. Int J Oncol. 2006 Jul;29(1):261-8." Approved Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Nitrogen Compounds; Cytochrome P-450 CYP2B6 Inhibitors; Myelosuppressive Agents; OCT2 Inhibitors; Nephrotoxic agents; Radiation-Sensitizing Agents; OCT2 Substrates; Indicators and Reagents; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Platinum Compounds; BCRP/ABCG2 Substrates; OCT2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Laboratory Chemicals; Compounds used in a research, industrial, or household setting; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cholinesterase Inhibitors; Chlorine Compounds; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs; Cross-Linking Reagents" [H][N]([H])([H])[Pt](Cl)(Cl)[N]([H])([H])[H] 13121 46504561 D00275 PA449014 DAP000215 Cisplatin CHEMBL11359 2555 DB00517 Anisotropine methylbromide BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 17139284; 17016423; 4555460 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Bachrach WH: Clinical evaluation of anisotropine methyl bromide (valpin), an anticholinergic drug. Am J Dig Dis. 1972 Jun;17(6):505-12." Approved Tropane alkaloids Organic compounds; Alkaloids and derivatives; Tropane alkaloids Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Neurotransmitter Agents; Alkaloids; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds [Br-].CCCC(CCC)C(=O)O[C@H]1CC2CCC(C1)[N+]2(C)C 46504810 D00232 PA164754880 DAP000837 Octatropine_methylbromide CHEMBL1578 17945 DB00517 Anisotropine methylbromide BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 17139284; 17016423; 4555460 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Bachrach WH: Clinical evaluation of anisotropine methyl bromide (valpin), an anticholinergic drug. Am J Dig Dis. 1972 Jun;17(6):505-12." Approved Tropane alkaloids Organic compounds; Alkaloids and derivatives; Tropane alkaloids Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Neurotransmitter Agents; Alkaloids; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds [Br-].CCCC(CCC)C(=O)O[C@H]1CC2CCC(C1)[N+]2(C)C 46504810 D00232 PA164754880 DAP000837 Octatropine_methylbromide CHEMBL1578 17945 DB00518 Albendazole BE0001367 TUBB4B P68371 TBB4B_HUMAN inhibitor 11980387; 19846910; 10592235 "Solana HD, Sallovitz JM, Lanusse CE, Rodriguez JA: Enantioselective binding of albendazole sulphoxide to cytosolic proteins from helminth parasites. Methods Find Exp Clin Pharmacol. 2002 Jan-Feb;24(1):7-13.@@Chu SW, Badar S, Morris DL, Pourgholami MH: Potent inhibition of tubulin polymerisation and proliferation of paclitaxel-resistant 1A9PTX22 human ovarian cancer cells by albendazole. Anticancer Res. 2009 Oct;29(10):3791-6.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Vet_approved 2-benzimidazolylcarbamic acid esters Organic compounds; Organoheterocyclic compounds; Benzimidazoles; 2-benzimidazolylcarbamic acid esters "Tubulin Modulators; Antihelminthic; Antimitotic Agents; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Antinematodal Agents; Antiplatyhelmintic Agents; Anticestodal Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP1A2 Inducers (strong); Cytochrome P-450 Substrates; Antiparasitic Products, Insecticides and Repellents; Carbamates; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Antiparasitic Agents; Mitosis Modulators; Anti-Infective Agents; Anthelmintics; Benzimidazole Derivatives; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Benzimidazoles" CCCSC1=CC2=C(C=C1)N=C(NC(=O)OC)N2 1263 46506472 D00134 PA164746058 DAP000951 Albendazole CHEMBL1483 430 DB00523 Alitretinoin BE0000663 RARA P10276 RARA_HUMAN agonist 16144296; 16253547; 16339527; 16420438; 16424870; 18321241; 11752352 "Baumann L, Vujevich J, Halem M, Martin LK, Kerdel F, Lazarus M, Pacheco H, Black L, Bryde J: Open-label pilot study of alitretinoin gel 0.1% in the treatment of photoaging. Cutis. 2005 Jul;76(1):69-73.@@Milliano MT, Luxon BA: Rat hepatic stellate cells become retinoid unresponsive during activation. Hepatol Res. 2005 Nov;33(3):225-33. Epub 2005 Oct 25.@@Rasooly R, Schuster GU, Gregg JP, Xiao JH, Chandraratna RA, Stephensen CB: Retinoid x receptor agonists increase bcl2a1 expression and decrease apoptosis of naive T lymphocytes. J Immunol. 2005 Dec 15;175(12):7916-29.@@Schrage K, Koopmans G, Joosten EA, Mey J: Macrophages and neurons are targets of retinoic acid signaling after spinal cord contusion injury. Eur J Neurosci. 2006 Jan;23(2):285-95.@@Ritter M, Kattmann D, Teichler S, Hartmann O, Samuelsson MK, Burchert A, Bach JP, Kim TD, Berwanger B, Thiede C, Jager R, Ehninger G, Schafer H, Ueki N, Hayman MJ, Eilers M, Neubauer A: Inhibition of retinoic acid receptor signaling by Ski in acute myeloid leukemia. Leukemia. 2006 Mar;20(3):437-43.@@Cheng C, Michaels J, Scheinfeld N: Alitretinoin: a comprehensive review. Expert Opin Investig Drugs. 2008 Mar;17(3):437-43. doi: 10.1517/13543784.17.3.437 .@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Retinoids for cancer treatment; Vitamin A; Vitamins; Dermatologicals; Hydrocarbons, Acyclic; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Misc. Skin and Mucous Membrane Agents; P-glycoprotein substrates; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Biological Factors; Diterpenes; Retinoids; Antineoplastic and Immunomodulating Agents; Polyenes; Agents for Dermatitis, Excluding Corticosteroids; Carotenoids" C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Retinol Metabolism; Vitamin A Deficiency disease; metabolic 11885 46507356 D02815 PA164746900 DAP000275 Alitretinoin CHEMBL705 81864 DB00523 Alitretinoin BE0000412 RXRA P19793 RXRA_HUMAN agonist 16428452; 16751185; 16782282; 16819260; 16946489; 18321241; 19678713 "Bartholin L, Powers SE, Melhuish TA, Lasse S, Weinstein M, Wotton D: TGIF inhibits retinoid signaling. Mol Cell Biol. 2006 Feb;26(3):990-1001.@@Calleja C, Messaddeq N, Chapellier B, Yang H, Krezel W, Li M, Metzger D, Mascrez B, Ohta K, Kagechika H, Endo Y, Mark M, Ghyselinck NB, Chambon P: Genetic and pharmacological evidence that a retinoic acid cannot be the RXR-activating ligand in mouse epidermis keratinocytes. Genes Dev. 2006 Jun 1;20(11):1525-38.@@Zhelyaznik N, Mey J: Regulation of retinoic acid receptors alpha, beta and retinoid X receptor alpha after sciatic nerve injury. Neuroscience. 2006 Sep 15;141(4):1761-74. Epub 2006 Jun 19.@@Fukasawa H, Kagechika H, Shudo K: [Retinoid therapy for autoimmune diseases]. Nihon Rinsho Meneki Gakkai Kaishi. 2006 Jun;29(3):114-26.@@Mizuguchi Y, Wada A, Nakagawa K, Ito M, Okano T: Antitumoral activity of 13-demethyl or 13-substituted analogues of all-trans retinoic acid and 9-cis retinoic acid in the human myeloid leukemia cell line HL-60. Biol Pharm Bull. 2006 Sep;29(9):1803-9.@@Cheng C, Michaels J, Scheinfeld N: Alitretinoin: a comprehensive review. Expert Opin Investig Drugs. 2008 Mar;17(3):437-43. doi: 10.1517/13543784.17.3.437 .@@Garnock-Jones KP, Perry CM: Alitretinoin: in severe chronic hand eczema. Drugs. 2009 Aug 20;69(12):1625-34. doi: 10.2165/11202200-000000000-00000." Approved; Investigational Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Retinoids for cancer treatment; Vitamin A; Vitamins; Dermatologicals; Hydrocarbons, Acyclic; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Misc. Skin and Mucous Membrane Agents; P-glycoprotein substrates; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Biological Factors; Diterpenes; Retinoids; Antineoplastic and Immunomodulating Agents; Polyenes; Agents for Dermatitis, Excluding Corticosteroids; Carotenoids" C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Retinol Metabolism; Vitamin A Deficiency disease; metabolic 11885 46507356 D02815 PA164746900 DAP000275 Alitretinoin CHEMBL705 81864 DB00523 Alitretinoin BE0000206 RARB P10826 RARB_HUMAN agonist 16128742; 16253547; 16297713; 16316409; 16531051; 19678713 "Mizuiri H, Yoshida K, Toge T, Oue N, Aung PP, Noguchi T, Yasui W: DNA methylation of genes linked to retinoid signaling in squamous cell carcinoma of the esophagus: DNA methylation of CRBP1 and TIG1 is associated with tumor stage. Cancer Sci. 2005 Sep;96(9):571-7.@@Milliano MT, Luxon BA: Rat hepatic stellate cells become retinoid unresponsive during activation. Hepatol Res. 2005 Nov;33(3):225-33. Epub 2005 Oct 25.@@Liu Z, Zhang L, Ding F, Li J, Guo M, Li W, Wang Y, Yu Z, Zhan Q, Wu M, Liu Z: 5-Aza-2'-deoxycytidine induces retinoic acid receptor-beta(2) demethylation and growth inhibition in esophageal squamous carcinoma cells. Cancer Lett. 2005 Dec 18;230(2):271-83.@@Nalbandian A, Pang AL, Rennert OM, Chan WY, Ravindranath N, Djakiew D: A novel function of differentiation revealed by cDNA microarray profiling of p75NTR-regulated gene expression. Differentiation. 2005 Oct;73(8):385-96.@@Husson M, Enderlin V, Delacourte A, Ghenimi N, Alfos S, Pallet V, Higueret P: Retinoic acid normalizes nuclear receptor mediated hypo-expression of proteins involved in beta-amyloid deposits in the cerebral cortex of vitamin A deprived rats. Neurobiol Dis. 2006 Jul;23(1):1-10. Epub 2006 Mar 10.@@Garnock-Jones KP, Perry CM: Alitretinoin: in severe chronic hand eczema. Drugs. 2009 Aug 20;69(12):1625-34. doi: 10.2165/11202200-000000000-00000." Approved; Investigational Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Retinoids for cancer treatment; Vitamin A; Vitamins; Dermatologicals; Hydrocarbons, Acyclic; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Misc. Skin and Mucous Membrane Agents; P-glycoprotein substrates; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Biological Factors; Diterpenes; Retinoids; Antineoplastic and Immunomodulating Agents; Polyenes; Agents for Dermatitis, Excluding Corticosteroids; Carotenoids" C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Retinol Metabolism; Vitamin A Deficiency disease; metabolic 11885 46507356 D02815 PA164746900 DAP000275 Alitretinoin CHEMBL705 81864 DB00523 Alitretinoin BE0000144 RARG P13631 RARG_HUMAN agonist 17277115; 16788091; 16880407; 19678713; 10592235 "Dzhagalov I, Chambon P, He YW: Regulation of CD8+ T lymphocyte effector function and macrophage inflammatory cytokine production by retinoic acid receptor gamma. J Immunol. 2007 Feb 15;178(4):2113-21.@@Parrella E, Gianni M, Fratelli M, Barzago MM, Raska I Jr, Diomede L, Kurosaki M, Pisano C, Carminati P, Merlini L, Dallavalle S, Tavecchio M, Rochette-Egly C, Terao M, Garattini E: Antitumor activity of the retinoid-related molecules (E)-3-(4'-hydroxy-3'-adamantylbiphenyl-4-yl)acrylic acid (ST1926) and 6-[3-(1-adamantyl)-4-hydroxyphenyl]-2-naphthalene carboxylic acid (CD437) in F9 teratocarcinoma: Role of retinoic acid receptor gamma and retinoid-independent pathways. Mol Pharmacol. 2006 Sep;70(3):909-24. Epub 2006 Jun 20.@@Li M, Hener P, Zhang Z, Kato S, Metzger D, Chambon P: Topical vitamin D3 and low-calcemic analogs induce thymic stromal lymphopoietin in mouse keratinocytes and trigger an atopic dermatitis. Proc Natl Acad Sci U S A. 2006 Aug 1;103(31):11736-41. Epub 2006 Jul 31.@@Garnock-Jones KP, Perry CM: Alitretinoin: in severe chronic hand eczema. Drugs. 2009 Aug 20;69(12):1625-34. doi: 10.2165/11202200-000000000-00000.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Retinoids for cancer treatment; Vitamin A; Vitamins; Dermatologicals; Hydrocarbons, Acyclic; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Misc. Skin and Mucous Membrane Agents; P-glycoprotein substrates; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Biological Factors; Diterpenes; Retinoids; Antineoplastic and Immunomodulating Agents; Polyenes; Agents for Dermatitis, Excluding Corticosteroids; Carotenoids" C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Retinol Metabolism; Vitamin A Deficiency disease; metabolic 11885 46507356 D02815 PA164746900 DAP000275 Alitretinoin CHEMBL705 81864 DB00523 Alitretinoin BE0000707 RXRG P48443 RXRG_HUMAN agonist 17006844; 17491551; 17132853; 17182884; 16456186; 19678713 "Adamczewski Z, Makarewicz J, Mikosinski S, Knapska-Kucharska M, Gunerska-Szadkowska A, Oszukowska L, Karwowska A, Lewinski A: [Application of 13-cis-retinoic acid in patients with 131I scintigraphically-negative metastases of differentiated thyroid carcinoma]. Endokrynol Pol. 2006 Jul-Aug;57(4):403-6.@@Brtko J: Role of retinoids and their cognate nuclear receptors in breast cancer chemoprevention. Cent Eur J Public Health. 2007 Mar;15(1):3-6.@@Germain P, Chambon P, Eichele G, Evans RM, Lazar MA, Leid M, De Lera AR, Lotan R, Mangelsdorf DJ, Gronemeyer H: International Union of Pharmacology. LXIII. Retinoid X receptors. Pharmacol Rev. 2006 Dec;58(4):760-72.@@He JC, Lu TC, Fleet M, Sunamoto M, Husain M, Fang W, Neves S, Chen Y, Shankland S, Iyengar R, Klotman PE: Retinoic acid inhibits HIV-1-induced podocyte proliferation through the cAMP pathway. J Am Soc Nephrol. 2007 Jan;18(1):93-102. Epub 2006 Dec 20.@@Day RM, Lee YH, Park AM, Suzuki YJ: Retinoic acid inhibits airway smooth muscle cell migration. Am J Respir Cell Mol Biol. 2006 Jun;34(6):695-703. Epub 2006 Feb 2.@@Garnock-Jones KP, Perry CM: Alitretinoin: in severe chronic hand eczema. Drugs. 2009 Aug 20;69(12):1625-34. doi: 10.2165/11202200-000000000-00000." Approved; Investigational Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Retinoids for cancer treatment; Vitamin A; Vitamins; Dermatologicals; Hydrocarbons, Acyclic; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Misc. Skin and Mucous Membrane Agents; P-glycoprotein substrates; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Biological Factors; Diterpenes; Retinoids; Antineoplastic and Immunomodulating Agents; Polyenes; Agents for Dermatitis, Excluding Corticosteroids; Carotenoids" C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Retinol Metabolism; Vitamin A Deficiency disease; metabolic 11885 46507356 D02815 PA164746900 DAP000275 Alitretinoin CHEMBL705 81864 DB00524 Metolazone BE0000419 SLC12A3 P55017 S12A3_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Quinazolines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Low-Ceiling Diuretics and Potassium-Sparing Agents; Thiazide-like Diuretic; Antihypertensive Agents; Hyperglycemia-Associated Agents; Amides; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Low-Ceiling Diuretics, Excl. Thiazides; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Non Potassium Sparing Diuretics; Natriuretic Agents; Quinazolinones; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Quinazolines" CC1NC2=CC(Cl)=C(C=C2C(=O)N1C1=CC=CC=C1C)S(N)(=O)=O Metolazone Action Pathway drug_action 8133 46509058 D00431 PA164781022 DAP000749 Metolazone CHEMBL878 6916 DB00528 Lercanidipine BE0000679 CACNG1 Q06432 CCG1_HUMAN inhibitor 17139284; 17016423; 19619074 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Burnier M, Pruijm M, Wuerzner G: Treatment of essential hypertension with calcium channel blockers: what is the place of lercanidipine? Expert Opin Drug Metab Toxicol. 2009 Aug;5(8):981-7. doi: 10.1517/17425250903085135." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Cytochrome P-450 CYP2D6 Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Angiotensin II receptor blockers (ARBs) and calcium channel blockers; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)(C)CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=C1 46508865 PA164769058 DAP001261 Lercanidipine CHEMBL250270 135056 DB00530 Erlotinib BE0000767 EGFR P00533 EGFR_HUMAN antagonist 12498017; 12517254; 12814826; 12820772; 12840797; 11752352 "Kim TE, Murren JR: Erlotinib OSI/Roche/Genentech. Curr Opin Investig Drugs. 2002 Sep;3(9):1385-95.@@Laird AD, Cherrington JM: Small molecule tyrosine kinase inhibitors: clinical development of anticancer agents. Expert Opin Investig Drugs. 2003 Jan;12(1):51-64.@@Delbaldo C, Faivre S, Raymond E: [Epidermal growth factor inhibitors]. Rev Med Interne. 2003 Jun;24(6):372-83.@@Bulgaru AM, Mani S, Goel S, Perez-Soler R: Erlotinib (Tarceva): a promising drug targeting epidermal growth factor receptor tyrosine kinase. Expert Rev Anticancer Ther. 2003 Jun;3(3):269-79.@@Akita RW, Sliwkowski MX: Preclinical studies with Erlotinib (Tarceva). Semin Oncol. 2003 Jun;30(3 Suppl 7):15-24.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Quinazolines; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)" COCCOC1=CC2=C(C=C1OCCOC)C(NC1=CC(=CC=C1)C#C)=NC=N2 Erlotinib Action Pathway drug_action 12481 46508021 D07907 PA134687924 DAP001010 Erlotinib CHEMBL553 337525 DB00533 Rofecoxib BE0001046 ELN P15502 ELN_HUMAN other/unknown 16679386; 17164475; 17620346 "Oitate M, Hirota T, Koyama K, Inoue S, Kawai K, Ikeda T: Covalent binding of radioactivity from [14C]rofecoxib, but not [14C]celecoxib or [14C]CS-706, to the arterial elastin of rats. Drug Metab Dispos. 2006 Aug;34(8):1417-22. Epub 2006 May 5.@@Oitate M, Hirota T, Takahashi M, Murai T, Miura S, Senoo A, Hosokawa T, Oonishi T, Ikeda T: Mechanism for covalent binding of rofecoxib to elastin of rat aorta. J Pharmacol Exp Ther. 2007 Mar;320(3):1195-203. Epub 2006 Dec 12.@@Oitate M, Hirota T, Murai T, Miura S, Ikeda T: Covalent binding of rofecoxib, but not other cyclooxygenase-2 inhibitors, to allysine aldehyde in elastin of human aorta. Drug Metab Dispos. 2007 Oct;35(10):1846-52. Epub 2007 Jul 9." Approved; Investigational; Withdrawn Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP1A2 Inhibitors (strong); Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inducers; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Musculo-Skeletal System; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cyclooxygenase Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Sulfur Compounds; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates" CS(=O)(=O)C1=CC=C(C=C1)C1=C(C(=O)OC1)C1=CC=CC=C1 Rofecoxib Action Pathway drug_action 11924 46504787 D00568 PA451268 DAP001338 Rofecoxib CHEMBL122 232158 DB00534 Chlormerodrin BE0000152 ALDH5A1 P51649 SSDH_HUMAN inhibitor 17139284; 17016423; 5692397; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Oda Y: [Experimental study on renal succinic dehydrogenase. 2. Age differences in renal succinic dehydrogenase in rats administered diuretics]. Nihon Shonika Gakkai Zasshi. 1968 Apr 1;72(4):370-80.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Withdrawn Isoureas Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives; Carboximidic acids Alkylmercury Compounds; Organomercury Compounds; Organometallic Compounds COC(CNC(N)=O)C[Hg]Cl 46504793 PA164748977 DAP000754 Chlormerodrin DB00536 Guanidine BE0000133 ALDH2 P05091 ALDH2_HUMAN inhibitor 9271349; 6100768 "Kikonyogo A, Pietruszko R: Cimetidine and other H2-receptor antagonists as inhibitors of human E3 aldehyde dehydrogenase. Mol Pharmacol. 1997 Aug;52(2):267-71. doi: 10.1124/mol.52.2.267.@@Kopczynski Z, Dryl T, Chmiel J: Studies on the effects of low-molecular uraemic toxins on the activity of 3-phospho-D-glycerol aldehyde dehydrogenase (E.C.1.2.1.12) in human erythrocytes. Acta Physiol Pol. 1984 Sep-Dec;35(5-6):539-45." Approved Guanidines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines MATE 1 Substrates; MATE 2 Substrates; OAT3/SLC22A8 Inhibitors; OCT2 Inhibitors; Amidines; Increased Acetylcholine Activity; Guanidines; OCT1 inhibitors; Acetylcholine Releasing Agent; MATE substrates NC(N)=N 46507543 PA164781028 Guanidine CHEMBL821 50675 DB00536 Guanidine BE0004524 DLG4 P78352 DLG4_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Guanidines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines MATE 1 Substrates; MATE 2 Substrates; OAT3/SLC22A8 Inhibitors; OCT2 Inhibitors; Amidines; Increased Acetylcholine Activity; Guanidines; OCT1 inhibitors; Acetylcholine Releasing Agent; MATE substrates NC(N)=N 46507543 PA164781028 Guanidine CHEMBL821 50675 DB00537 Ciprofloxacin BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 11752352; 1323952; 3015015 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Robinson MJ, Martin BA, Gootz TD, McGuirk PR, Osheroff N: Effects of novel fluoroquinolones on the catalytic activities of eukaryotic topoisomerase II: Influence of the C-8 fluorine group. Antimicrob Agents Chemother. 1992 Apr;36(4):751-6.@@Hussy P, Maass G, Tummler B, Grosse F, Schomburg U: Effect of 4-quinolones and novobiocin on calf thymus DNA polymerase alpha primase complex, topoisomerases I and II, and growth of mammalian lymphoblasts. Antimicrob Agents Chemother. 1986 Jun;29(6):1073-8." Approved; Investigational Quinoline carboxylic acids Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids "MATE 1 Substrates; QTc Prolonging Agents; Enzyme Inhibitors; Topoisomerase Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Anti-Bacterial Agents; Quinolones; Quinolines; Cytochrome P-450 CYP3A5 Inhibitors; Antiinfectives for Systemic Use; MATE 1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (moderate); Quinolone Antimicrobial; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Fluoroquinolone Antibacterial; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Otologicals; Ophthalmological and Otological Preparations; Agents Causing Muscle Toxicity; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; MATE inhibitors; Antibacterials for Systemic Use; Cytochrome P-450 CYP3A7 Inhibitors; Anti-Infective Agents; Topoisomerase II Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (moderate); Fluoroquinolones; MATE 2 Inhibitors; Ophthalmologicals; Moderate Risk QTc-Prolonging Agents; MATE substrates; Chemically-Induced Disorders; Sensory Organs" OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O 8327 46504733 D00186 PA449009 DAP001360 Ciprofloxacin CHEMBL8 2551 DB00539 Toremifene BE0000123 ESR1 P03372 ESR1_HUMAN modulator 11747628; 12870885; 11752352; 15369444; 18279543; 17503894; 16917142; 16515478; 16503765; 16595024; 17062721 "Locci P, Bellocchio S, Lilli C, Marinucci L, Cagini L, Baroni T, Giustozzi G, Balducci C, Becchetti E: Synthesis and secretion of transforming growth factor-beta1 by human desmoid fibroblast cell line and its modulation by toremifene. J Interferon Cytokine Res. 2001 Nov;21(11):961-70.@@Liu X, Pisha E, Tonetti DA, Yao D, Li Y, Yao J, Burdette JE, Bolton JL: Antiestrogenic and DNA damaging effects induced by tamoxifen and toremifene metabolites. Chem Res Toxicol. 2003 Jul;16(7):832-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Jones KL, Buzdar AU: A review of adjuvant hormonal therapy in breast cancer. Endocr Relat Cancer. 2004 Sep;11(3):391-406.@@Shelly W, Draper MW, Krishnan V, Wong M, Jaffe RB: Selective estrogen receptor modulators: an update on recent clinical findings. Obstet Gynecol Surv. 2008 Mar;63(3):163-81. doi: 10.1097/OGX.0b013e31816400d7.@@Gennari L, Merlotti D, Valleggi F, Martini G, Nuti R: Selective estrogen receptor modulators for postmenopausal osteoporosis: current state of development. Drugs Aging. 2007;24(5):361-79.@@Lewis-Wambi JS, Jordan VC: Treatment of Postmenopausal Breast Cancer with Selective Estrogen Receptor Modulators (SERMs). Breast Dis. 2005-2006;24:93-105.@@Ariazi EA, Ariazi JL, Cordera F, Jordan VC: Estrogen receptors as therapeutic targets in breast cancer. Curr Top Med Chem. 2006;6(3):181-202.@@Taneja SS, Smith MR, Dalton JT, Raghow S, Barnette G, Steiner M, Veverka KA: Toremifene--a promising therapy for the prevention of prostate cancer and complications of androgen deprivation therapy. Expert Opin Investig Drugs. 2006 Mar;15(3):293-305.@@Goldstein LJ: Controversies in adjuvant endocrine treatment of premenopausal women. Clin Breast Cancer. 2006 Feb;6 Suppl 2:S36-40.@@Smith MR: Treatment-related osteoporosis in men with prostate cancer. Clin Cancer Res. 2006 Oct 15;12(20 Pt 2):6315s-6319s." Approved; Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Stilbenes; QTc Prolonging Agents; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Hormone Antagonists; Benzene Derivatives; Estrogen Receptor Modulators; Anti-Estrogens; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Highest Risk QTc-Prolonging Agents; Bone Density Conservation Agents; Antineoplastic Agents, Hormonal; Hormone Antagonists and Related Agents; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists" CN(C)CCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1 46506087 PA451731 DAP000793 Toremifene CHEMBL1655 38409 DB00539 Toremifene BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Approved; Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Stilbenes; QTc Prolonging Agents; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Hormone Antagonists; Benzene Derivatives; Estrogen Receptor Modulators; Anti-Estrogens; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Highest Risk QTc-Prolonging Agents; Bone Density Conservation Agents; Antineoplastic Agents, Hormonal; Hormone Antagonists and Related Agents; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists" CN(C)CCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1 46506087 PA451731 DAP000793 Toremifene CHEMBL1655 38409 DB00540 Nortriptyline BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 7855217; 6096660; 6106553 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Sadava D, Wilmington K: Tricyclic antidepressant drugs affect histamine receptors in human leukocytes. Life Sci. 1984 Dec 17;35(25):2545-8.@@Taylor JE, Richelson E: High affinity binding of tricyclic antidepressants to histamine H1-receptors: fact and artifact. Eur J Pharmacol. 1980 Oct 3;67(1):41-6." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Benzocycloheptenes; Dopamine Antagonists; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzocycloheptenes; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 9839 46507783 D08288 PA450657 DAP001152 Nortriptyline CHEMBL445 7531 DB00540 Nortriptyline BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 20363235 "Nojimoto FD, Mueller A, Hebeler-Barbosa F, Akinaga J, Lima V, Kiguti LR, Pupo AS: The tricyclic antidepressants amitriptyline, nortriptyline and imipramine are weak antagonists of human and rat alpha1B-adrenoceptors. Neuropharmacology. 2010 Jul-Aug;59(1-2):49-57. doi: 10.1016/j.neuropharm.2010.03.015. Epub 2010 Apr 2." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Benzocycloheptenes; Dopamine Antagonists; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzocycloheptenes; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 9839 46507783 D08288 PA450657 DAP001152 Nortriptyline CHEMBL445 7531 DB00540 Nortriptyline BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 8876023; 8131152 "Palvimaki EP, Roth BL, Majasuo H, Laakso A, Kuoppamaki M, Syvalahti E, Hietala J: Interactions of selective serotonin reuptake inhibitors with the serotonin 5-HT2c receptor. Psychopharmacology (Berl). 1996 Aug;126(3):234-40.@@Stahl SM, Hauger RL, Rausch JL, Fleishaker JC, Hubbell-Alberts E: Downregulation of serotonin receptor subtypes by nortriptyline and adinazolam in major depressive disorder: neuroendocrine and platelet markers. Clin Neuropharmacol. 1993;16 Suppl 3:S19-31." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Benzocycloheptenes; Dopamine Antagonists; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzocycloheptenes; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 9839 46507783 D08288 PA450657 DAP001152 Nortriptyline CHEMBL445 7531 DB00540 Nortriptyline BE0004872 ADRB1 P13945 ADRB3_HUMAN antagonist 19259968 "Yalcin I, Choucair-Jaafar N, Benbouzid M, Tessier LH, Muller A, Hein L, Freund-Mercier MJ, Barrot M: beta(2)-adrenoceptors are critical for antidepressant treatment of neuropathic pain. Ann Neurol. 2009 Feb;65(2):218-25. doi: 10.1002/ana.21542." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Benzocycloheptenes; Dopamine Antagonists; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzocycloheptenes; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 9839 46507783 D08288 PA450657 DAP001152 Nortriptyline CHEMBL445 7531 DB00540 Nortriptyline BE0004890 CHRM1 P08912 ACM5_HUMAN antagonist 7855217 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Benzocycloheptenes; Dopamine Antagonists; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzocycloheptenes; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 9839 46507783 D08288 PA450657 DAP001152 Nortriptyline CHEMBL445 7531 DB00543 Amoxapine BE0000795 GABRA1 P14867 GBRA1_HUMAN antagonist 9589848 "Buckley NA, McManus PR: Can the fatal toxicity of antidepressant drugs be predicted with pharmacological and toxicological data? Drug Saf. 1998 May;18(5):369-81." Approved Dibenzoxazepines Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents" ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1 8001 46509117 D00228 PA448405 DAP001149 Amoxapine CHEMBL1113 722 DB00543 Amoxapine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 10821800 "Glusa E, Pertz HH: Further evidence that 5-HT-induced relaxation of pig pulmonary artery is mediated by endothelial 5-HT(2B) receptors. Br J Pharmacol. 2000 Jun;130(3):692-8." Approved Dibenzoxazepines Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents" ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1 8001 46509117 D00228 PA448405 DAP001149 Amoxapine CHEMBL1113 722 DB00543 Amoxapine BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 7908055 "Roth BL, Craigo SC, Choudhary MS, Uluer A, Monsma FJ Jr, Shen Y, Meltzer HY, Sibley DR: Binding of typical and atypical antipsychotic agents to 5-hydroxytryptamine-6 and 5-hydroxytryptamine-7 receptors. J Pharmacol Exp Ther. 1994 Mar;268(3):1403-10." Approved Dibenzoxazepines Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents" ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1 8001 46509117 D00228 PA448405 DAP001149 Amoxapine CHEMBL1113 722 DB00543 Amoxapine BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 16135699 "Burstein ES, Ma J, Wong S, Gao Y, Pham E, Knapp AE, Nash NR, Olsson R, Davis RE, Hacksell U, Weiner DM, Brann MR: Intrinsic efficacy of antipsychotics at human D2, D3, and D4 dopamine receptors: identification of the clozapine metabolite N-desmethylclozapine as a D2/D3 partial agonist. J Pharmacol Exp Ther. 2005 Dec;315(3):1278-87. Epub 2005 Aug 31." Approved Dibenzoxazepines Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents" ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1 8001 46509117 D00228 PA448405 DAP001149 Amoxapine CHEMBL1113 722 DB00543 Amoxapine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 6086881 "Richelson E, Nelson A: Antagonism by antidepressants of neurotransmitter receptors of normal human brain in vitro. J Pharmacol Exp Ther. 1984 Jul;230(1):94-102." Approved Dibenzoxazepines Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents" ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1 8001 46509117 D00228 PA448405 DAP001149 Amoxapine CHEMBL1113 722 DB00543 Amoxapine BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist 6086881 "Richelson E, Nelson A: Antagonism by antidepressants of neurotransmitter receptors of normal human brain in vitro. J Pharmacol Exp Ther. 1984 Jul;230(1):94-102." Approved Dibenzoxazepines Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents" ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1 8001 46509117 D00228 PA448405 DAP001149 Amoxapine CHEMBL1113 722 DB00543 Amoxapine BE0004890 CHRM1 P08912 ACM5_HUMAN antagonist 6086881 "Richelson E, Nelson A: Antagonism by antidepressants of neurotransmitter receptors of normal human brain in vitro. J Pharmacol Exp Ther. 1984 Jul;230(1):94-102." Approved Dibenzoxazepines Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents" ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1 8001 46509117 D00228 PA448405 DAP001149 Amoxapine CHEMBL1113 722 DB00543 Amoxapine BE0000393 HTR2B P41595 5HT2B_HUMAN antagonist 10821800 "Glusa E, Pertz HH: Further evidence that 5-HT-induced relaxation of pig pulmonary artery is mediated by endothelial 5-HT(2B) receptors. Br J Pharmacol. 2000 Jun;130(3):692-8." Approved Dibenzoxazepines Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents" ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1 8001 46509117 D00228 PA448405 DAP001149 Amoxapine CHEMBL1113 722 DB00545 Pyridostigmine BE0002180 BCHE P06276 CHLE_HUMAN inhibitor 10942908; 10869589; 8954750 "Somani SM, Husain K, Asha T, Helfert R: Interactive and delayed effects of pyridostigmine and physical stress on biochemical and histological changes in peripheral tissues of mice. J Appl Toxicol. 2000 Jul-Aug;20(4):327-34.@@Servatius RJ, Ottenweller JE, Guo W, Beldowicz D, Zhu G, Natelson BH: Effects of inescapable stress and treatment with pyridostigmine bromide on plasma butyrylcholinesterase and the acoustic startle response in rats. Physiol Behav. 2000 May;69(3):239-46.@@Abou-Donia MB, Wilmarth KR, Abdel-Rahman AA, Jensen KF, Oehme FW, Kurt TL: Increased neurotoxicity following concurrent exposure to pyridostigmine bromide, DEET, and chlorpyrifos. Fundam Appl Toxicol. 1996 Dec;34(2):201-22." Approved; Investigational N-methylpyridinium compounds Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Methylpyridines Parasympathomimetics; Cytochrome P-450 Enzyme Inducers; Parasympathomemetic (Cholinergic) Agents; Enzyme Inhibitors; Cholinesterase substrates; Cytochrome P-450 CYP3A Inducers; Cholinesterase Inhibitors; Neurotransmitter Agents; Pyridinium Compounds; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Cholinergic Agents; Cytochrome P-450 CYP3A4 Inducers (weak); Pyridines CN(C)C(=O)OC1=C[N+](C)=CC=C1 6296 46506129 D00487 PA451185 DNC001171 Pyridostigmine CHEMBL1115 9000 DB00546 Adinazolam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Experimental "1,2,4-triazolo[4,3-a][1,4]benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Benzazepines; Psycholeptics; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychotropic Drugs; Triazolobenzodiazepines; Cytochrome P-450 CYP3A Substrates; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Antidepressive Agents; Cytochrome P-450 CYP2C19 Substrates" CN(C)CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12 46509054 D02770 PA164783813 DAP001251 Adinazolam CHEMBL328250 DB00547 Desoximetasone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 10754457; 16891588; 16895953; 16980198; 17038445; 17086345 "Lange K, Kleuser B, Gysler A, Bader M, Maia C, Scheidereit C, Korting HC, Schafer-Korting M: Cutaneous inflammation and proliferation in vitro: differential effects and mode of action of topical glucocorticoids. Skin Pharmacol Appl Skin Physiol. 2000 Mar-Apr;13(2):93-103.@@Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404." Approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Fused-Ring Compounds; Steroids, Fluorinated; Immunosuppressive Agents; Corticosteroids; Adrenal Cortex Hormones; Anti-Inflammatory Agents; Pregnadienediols; Corticosteroids, Dermatological Preparations; Corticosteroid Hormone Receptor Agonists; Dermatologicals; Corticosteroids, Potent (Group III); Pregnadienes; Steroids; Pregnadienetriols; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7592 46506793 PA164746011 DAP001185 Desoximetasone CHEMBL1766 3255 DB00548 Azelaic acid BE0003610 AKR1D1 P51857 AK1D1_HUMAN inhibitor 3207614 "Stamatiadis D, Bulteau-Portois MC, Mowszowicz I: Inhibition of 5 alpha-reductase activity in human skin by zinc and azelaic acid. Br J Dermatol. 1988 Nov;119(5):627-32." Approved Medium-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Decreased Protein Synthesis; Acids, Acyclic; Dermatologicals; Drugs that are Mainly Renally Excreted; Misc. Skin and Mucous Membrane Agents; Decreased Sebaceous Gland Activity" OC(=O)CCCCCCCC(O)=O 277 46506284 D03034 PA164754850 DAP000889 Azelaic_acid CHEMBL1238 18602 DB00552 Pentostatin BE0002214 ADA P00813 ADA_HUMAN inhibitor 11752352; 2433905; 17309302; 10887639 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Jackson RC, Leopold WR, Ross DA: The biochemical pharmacology of (2'-R)-chloropentostatin, a novel inhibitor of adenosine deaminase. Adv Enzyme Regul. 1986;25:125-39.@@Newman DJ, Cragg GM: Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. Epub 2007 Feb 20.@@Cabanillas F: Purine nucleoside analogs in indolent non-Hodgkin's lymphoma. Oncology (Williston Park). 2000 Jun;14(6 Suppl 2):13-5." Approved; Investigational Imidazodiazepines Organic compounds; Organoheterocyclic compounds; Imidazodiazepines "Myelosuppressive Agents; Cancer immunotherapy; Enzyme Inhibitors; Nucleosides; Immunotherapy; Cardiotoxic antineoplastic agents; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Antineoplastic Agents; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Deoxyribonucleosides; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Adenosine Deaminase Inhibitors; Pyrimidines; Coformycin; Narrow Therapeutic Index Drugs; Formycins; Pyrimidine Nucleosides" OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC[C@H]2O 1740 46507116 D00155 PA450863 DAP000566 Pentostatin CHEMBL1580 8011 DB00555 Lamotrigine BE0009609 CACNA1E Q15878 CAC1E_HUMAN inhibitor 29176325 "Dibue-Adjei M, Kamp MA, Alpdogan S, Tevoufouet EE, Neiss WF, Hescheler J, Schneider T: Cav2.3 (R-Type) Calcium Channels are Critical for Mediating Anticonvulsive and Neuroprotective Properties of Lamotrigine In Vivo. Cell Physiol Biochem. 2017;44(3):935-947. doi: 10.1159/000485361. Epub 2017 Nov 24." Approved; Investigational Dichlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes Sodium Channel Blockers; UGT1A1 Inducers; OCT2 Inhibitors; QTc Prolonging Agents; Agents producing tachycardia; OCT1 substrates; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; UGT1A3 substrates; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Mood Stabilizer; Triazines; Antiarrhythmic agents; Muscarinic Antagonists; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; UGT1A1 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1 238 46505408 D00354 PA450164 DAP000039 Lamotrigine CHEMBL741 28439 DB00555 Lamotrigine BE0009738 SCN1A Q15858 SCN9A_HUMAN inhibitor 16174788 "Lipkind GM, Fozzard HA: Molecular modeling of local anesthetic drug binding by voltage-gated sodium channels. Mol Pharmacol. 2005 Dec;68(6):1611-22. Epub 2005 Sep 20." Approved; Investigational Dichlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes Sodium Channel Blockers; UGT1A1 Inducers; OCT2 Inhibitors; QTc Prolonging Agents; Agents producing tachycardia; OCT1 substrates; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; UGT1A3 substrates; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Mood Stabilizer; Triazines; Antiarrhythmic agents; Muscarinic Antagonists; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; UGT1A1 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1 238 46505408 D00354 PA450164 DAP000039 Lamotrigine CHEMBL741 28439 DB00555 Lamotrigine BE0000924 ADORA2A P29274 AA2AR_HUMAN inhibitor 22306746 "Abelaira HM, Reus GZ, Ribeiro KF, Zappellini G, Cipriano AL, Scaini G, Streck EL, Quevedo J: Lamotrigine treatment reverses depressive-like behavior and alters BDNF levels in the brains of maternally deprived adult rats. Pharmacol Biochem Behav. 2012 May;101(3):348-53. doi: 10.1016/j.pbb.2012.01.019. Epub 2012 Jan 27." Approved; Investigational Dichlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes Sodium Channel Blockers; UGT1A1 Inducers; OCT2 Inhibitors; QTc Prolonging Agents; Agents producing tachycardia; OCT1 substrates; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; UGT1A3 substrates; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Mood Stabilizer; Triazines; Antiarrhythmic agents; Muscarinic Antagonists; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; UGT1A1 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1 238 46505408 D00354 PA450164 DAP000039 Lamotrigine CHEMBL741 28439 DB00555 Lamotrigine BE0008668 GABRA1 Q99928 GBRG3_HUMAN inhibitor 22306746; 11955522; 8941036 "Abelaira HM, Reus GZ, Ribeiro KF, Zappellini G, Cipriano AL, Scaini G, Streck EL, Quevedo J: Lamotrigine treatment reverses depressive-like behavior and alters BDNF levels in the brains of maternally deprived adult rats. Pharmacol Biochem Behav. 2012 May;101(3):348-53. doi: 10.1016/j.pbb.2012.01.019. Epub 2012 Jan 27.@@Braga MF, Aroniadou-Anderjaska V, Post RM, Li H: Lamotrigine reduces spontaneous and evoked GABAA receptor-mediated synaptic transmission in the basolateral amygdala: implications for its effects in seizure and affective disorders. Neuropharmacology. 2002 Mar;42(4):522-9. doi: 10.1016/s0028-3908(01)00198-8.@@Meldrum BS: Update on the mechanism of action of antiepileptic drugs. Epilepsia. 1996;37 Suppl 6:S4-11. doi: 10.1111/j.1528-1157.1996.tb06038.x." Approved; Investigational Dichlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes Sodium Channel Blockers; UGT1A1 Inducers; OCT2 Inhibitors; QTc Prolonging Agents; Agents producing tachycardia; OCT1 substrates; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; UGT1A3 substrates; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Mood Stabilizer; Triazines; Antiarrhythmic agents; Muscarinic Antagonists; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; UGT1A1 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1 238 46505408 D00354 PA450164 DAP000039 Lamotrigine CHEMBL741 28439 DB00555 Lamotrigine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 22306746; 16049571; 11792461 "Abelaira HM, Reus GZ, Ribeiro KF, Zappellini G, Cipriano AL, Scaini G, Streck EL, Quevedo J: Lamotrigine treatment reverses depressive-like behavior and alters BDNF levels in the brains of maternally deprived adult rats. Pharmacol Biochem Behav. 2012 May;101(3):348-53. doi: 10.1016/j.pbb.2012.01.019. Epub 2012 Jan 27.@@Bourin M, Masse F, Hascoet M: Evidence for the activity of lamotrigine at 5-HT(1A) receptors in the mouse forced swimming test. J Psychiatry Neurosci. 2005 Jul;30(4):275-82.@@Vinod KY, Subhash MN: Lamotrigine induced selective changes in 5-HT(1A) receptor mediated response in rat brain. Neurochem Int. 2002 Apr;40(4):315-9. doi: 10.1016/s0197-0186(01)00088-2." Approved; Investigational Dichlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes Sodium Channel Blockers; UGT1A1 Inducers; OCT2 Inhibitors; QTc Prolonging Agents; Agents producing tachycardia; OCT1 substrates; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; UGT1A3 substrates; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Mood Stabilizer; Triazines; Antiarrhythmic agents; Muscarinic Antagonists; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; UGT1A1 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1 238 46505408 D00354 PA450164 DAP000039 Lamotrigine CHEMBL741 28439 DB00555 Lamotrigine BE0000640 GRIA1 P42261 GRIA1_HUMAN inhibitor 23976856; 22564541 "Lapidus KA, Soleimani L, Murrough JW: Novel glutamatergic drugs for the treatment of mood disorders. Neuropsychiatr Dis Treat. 2013;9:1101-12. doi: 10.2147/NDT.S36689. Epub 2013 Aug 7.@@Leng Y, Fessler EB, Chuang DM: Neuroprotective effects of the mood stabilizer lamotrigine against glutamate excitotoxicity: roles of chromatin remodelling and Bcl-2 induction. Int J Neuropsychopharmacol. 2013 Apr;16(3):607-20. doi: 10.1017/S1461145712000429. Epub 2012 May 8." Approved; Investigational Dichlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes Sodium Channel Blockers; UGT1A1 Inducers; OCT2 Inhibitors; QTc Prolonging Agents; Agents producing tachycardia; OCT1 substrates; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; UGT1A3 substrates; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Mood Stabilizer; Triazines; Antiarrhythmic agents; Muscarinic Antagonists; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; UGT1A1 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1 238 46505408 D00354 PA450164 DAP000039 Lamotrigine CHEMBL741 28439 DB00557 Hydroxyzine BE0000442 HRH1 P35367 HRH1_HUMAN inverse agonist 17222324; 23330992 "Spahr L, Coeytaux A, Giostra E, Hadengue A, Annoni JM: Histamine H1 blocker hydroxyzine improves sleep in patients with cirrhosis and minimal hepatic encephalopathy: a randomized controlled pilot trial. Am J Gastroenterol. 2007 Apr;102(4):744-53. Epub 2007 Jan 11.@@Altamura AC, Moliterno D, Paletta S, Maffini M, Mauri MC, Bareggi S: Understanding the pharmacokinetics of anxiolytic drugs. Expert Opin Drug Metab Toxicol. 2013 Apr;9(4):423-40. doi: 10.1517/17425255.2013.759209. Epub 2013 Jan 21." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Dermatologicals; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; P-glycoprotein substrates; Psycholeptics; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Histamine Receptor Antagonists; Anti-Anxiety Agents; Diphenylmethane Derivatives; Neurotransmitter Agents; Nervous System; Histamine Agents OCCOCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1 Hydroxyzine H1-Antihistamine Action drug_action 8008 46508556 D08054 PA449943 DAP000324 Hydroxyzine CHEMBL896 5553 DB00559 Bosentan BE0000043 EDNRB P24530 EDNRB_HUMAN antagonist 11752352; 7921608; 16335785; 9806221; 7858879; 15629255 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Gardiner SM, Kemp PA, March JE, Bennett T: Effects of bosentan (Ro 47-0203), an ETA-, ETB-receptor antagonist, on regional haemodynamic responses to endothelins in conscious rats. Br J Pharmacol. 1994 Jul;112(3):823-30.@@Gupta SK, Saxena A, Singh U, Arya DS: Bosentan, the mixed ETA-ETB endothelin receptor antagonist, attenuated oxidative stress after experimental myocardial ischemia and reperfusion. Mol Cell Biochem. 2005 Jul;275(1-2):67-74.@@Marano G, Palazzesi S, Bernucci P, Grigioni M, Formigari R, Ballerini L: ET(A)/ET(B) receptor antagonist bosentan inhibits neointimal development in collared carotid arteries of rabbits. Life Sci. 1998;63(18):PL259-66.@@Richard V, Kaeffer N, Hogie M, Tron C, Blanc T, Thuillez C: Role of endogenous endothelin in myocardial and coronary endothelial injury after ischaemia and reperfusion in rats: studies with bosentan, a mixed ETA-ETB antagonist. Br J Pharmacol. 1994 Nov;113(3):869-76.@@Said SA, Ammar el SM, Suddek GM: Effect of bosentan (ETA/ETB receptor antagonist) on metabolic changes during stress and diabetes. Pharmacol Res. 2005 Feb;51(2):107-15." Approved; Investigational Bipyrimidines and oligopyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Antihypertensives for Pulmonary Arterial Hypertension; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Cytochrome P-450 CYP3A4 Inducers (moderate); Benzene Derivatives; Cytochrome P-450 CYP2C9 Inducers (moderate); Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sulfonamides; Hepatotoxic Agents; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Benzenesulfonamides; Pyrimidines; Endothelin Receptor Antagonists; Gynecological Antiinfectives and Antiseptics; Cytochrome P-450 CYP2C9 Inducers; Sulfur Compounds COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N=C(N=C1OCCO)C1=NC=CC=N1 12538 46507154 D01227 PA10034 DNC000341 Bosentan CHEMBL957 75207 DB00561 Doxapram BE0003583 KCNK9 Q9NPC2 KCNK9_HUMAN inhibitor 17227289; 7617294; 1667613 "Yost CS: A new look at the respiratory stimulant doxapram. CNS Drug Rev. 2006 Fall-Winter;12(3-4):236-49.@@Anderson-Beck R, Wilson L, Brazier S, Hughes IE, Peers C: Doxapram stimulates dopamine release from the intact rat carotid body in vitro. Neurosci Lett. 1995 Feb 24;187(1):25-8.@@Peers C: Effects of doxapram on ionic currents recorded in isolated type I cells of the neonatal rat carotid body. Brain Res. 1991 Dec 24;568(1-2):116-22." Approved; Vet_approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Pyrrolidines; Central Nervous System Agents; Increased Medullary Respiratory Drive; Agents that produce hypertension; Pyrrolidinones; Respiratory System Agents; Central Nervous System Stimulants CCN1CC(CCN2CCOCC2)C(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1 10198 46506829 D07873 PA164784026 DAP001295 Doxapram CHEMBL1754 3637 DB00562 Benzthiazide BE0000419 SLC12A3 P55017 S12A3_HUMAN inhibitor 31285285; 12538756 "Blanchard A, Vallet M, Dubourg L, Hureaux M, Allard J, Haymann JP, de la Faille R, Arnoux A, Dinut A, Bergerot D, Becker PH, Courand PY, Baron S, Houillier P, Tack I, Devuyst O, Jeunemaitre X, Azizi M, Vargas-Poussou R: Resistance to Insulin in Patients with Gitelman Syndrome and a Subtle Intermediate Phenotype in Heterozygous Carriers: A Cross-Sectional Study. J Am Soc Nephrol. 2019 Aug;30(8):1534-1545. doi: 10.1681/ASN.2019010031. Epub 2019 Jul 8.@@Ellison DH: The thiazide-sensitive na-cl cotransporter and human disease: reemergence of an old player. J Am Soc Nephrol. 2003 Feb;14(2):538-40." Approved "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfonamides; Diuretics; Hyperglycemia-Associated Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Stimulants; Thiazides" NS(=O)(=O)C1=CC2=C(C=C1Cl)N=C(CSCC1=CC=CC=C1)NS2(=O)=O 46506752 D00651 PA164776841 DAP000603 Benzthiazide CHEMBL1201039 19008 DB00562 Benzthiazide BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 17139284; 17016423; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfonamides; Diuretics; Hyperglycemia-Associated Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Stimulants; Thiazides" NS(=O)(=O)C1=CC2=C(C=C1Cl)N=C(CSCC1=CC=CC=C1)NS2(=O)=O 46506752 D00651 PA164776841 DAP000603 Benzthiazide CHEMBL1201039 19008 DB00563 Methotrexate BE0001240 ATIC P31939 PUR9_HUMAN inhibitor 24284432 "Inoue K, Yuasa H: Molecular basis for pharmacokinetics and pharmacodynamics of methotrexate in rheumatoid arthritis therapy. Drug Metab Pharmacokinet. 2014;29(1):12-9. Epub 2013 Nov 26." Approved Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Myelosuppressive Agents; Cancer immunotherapy; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Antimetabolites; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Nephrotoxic agents; Dermatologicals; Noxae; OAT1/SLC22A6 inhibitors; Immunotherapy; Folic Acid Analogues; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Immunologic Factors; Photosensitizing Agents; Abortifacient Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Pterins; Pigments, Biological; Antineoplastic Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Biological Factors; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Hepatotoxic Agents; Drugs causing inadvertant photosensitivity; Folic Acid Antagonists; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Abortifacient Agents, Nonsteroidal; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Pteridines; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; Narrow Therapeutic Index Drugs; Antirheumatic Agents; Toxic Actions; Reproductive Control Agents" CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Methotrexate Action Pathway drug_action 6197 46507678 D00142 PA450428 DNC000933 Methotrexate CHEMBL34259 6851 DB00563 Methotrexate BE0000330 DHFR P00374 DYR_HUMAN inhibitor 16971132; 17333344; 17130456; 11752352; 16647263; 16936229; 24284432 "Al-Rashood ST, Aboldahab IA, Nagi MN, Abouzeid LA, Abdel-Aziz AA, Abdel-Hamide SG, Youssef KM, Al-Obaid AM, El-Subbagh HI: Synthesis, dihydrofolate reductase inhibition, antitumor testing, and molecular modeling study of some new 4(3H)-quinazolinone analogs. Bioorg Med Chem. 2006 Dec 15;14(24):8608-21. Epub 2006 Sep 12.@@Assaraf YG: Molecular basis of antifolate resistance. Cancer Metastasis Rev. 2007 Mar;26(1):153-81.@@Bennett B, Langan P, Coates L, Mustyakimov M, Schoenborn B, Howell EE, Dealwis C: Neutron diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexate. Proc Natl Acad Sci U S A. 2006 Dec 5;103(49):18493-8. Epub 2006 Nov 27.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Totani K, Matsuo I, Ihara Y, Ito Y: High-mannose-type glycan modifications of dihydrofolate reductase using glycan-methotrexate conjugates. Bioorg Med Chem. 2006 Aug 1;14(15):5220-9. Epub 2006 May 2.@@Uga H, Kuramori C, Ohta A, Tsuboi Y, Tanaka H, Hatakeyama M, Yamaguchi Y, Takahashi T, Kizaki M, Handa H: A new mechanism of methotrexate action revealed by target screening with affinity beads. Mol Pharmacol. 2006 Nov;70(5):1832-9. Epub 2006 Aug 25.@@Inoue K, Yuasa H: Molecular basis for pharmacokinetics and pharmacodynamics of methotrexate in rheumatoid arthritis therapy. Drug Metab Pharmacokinet. 2014;29(1):12-9. Epub 2013 Nov 26." Approved Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Myelosuppressive Agents; Cancer immunotherapy; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Antimetabolites; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Nephrotoxic agents; Dermatologicals; Noxae; OAT1/SLC22A6 inhibitors; Immunotherapy; Folic Acid Analogues; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Immunologic Factors; Photosensitizing Agents; Abortifacient Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Pterins; Pigments, Biological; Antineoplastic Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Biological Factors; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Hepatotoxic Agents; Drugs causing inadvertant photosensitivity; Folic Acid Antagonists; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Abortifacient Agents, Nonsteroidal; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Pteridines; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; Narrow Therapeutic Index Drugs; Antirheumatic Agents; Toxic Actions; Reproductive Control Agents" CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Methotrexate Action Pathway drug_action 6197 46507678 D00142 PA450428 DNC000933 Methotrexate CHEMBL34259 6851 DB00564 Carbamazepine BE0009738 SCN1A Q15858 SCN9A_HUMAN inhibitor 20526191; 12391287; 20643904; 15208697 "Yang YC, Huang CS, Kuo CC: Lidocaine, carbamazepine, and imipramine have partially overlapping binding sites and additive inhibitory effect on neuronal Na+ channels. Anesthesiology. 2010 Jul;113(1):160-74. doi: 10.1097/ALN.0b013e3181dc1dd6.@@Yang YC, Kuo CC: Inhibition of Na(+) current by imipramine and related compounds: different binding kinetics as an inactivation stabilizer and as an open channel blocker. Mol Pharmacol. 2002 Nov;62(5):1228-37.@@Lipkind GM, Fozzard HA: Molecular model of anticonvulsant drug binding to the voltage-gated sodium channel inner pore. Mol Pharmacol. 2010 Oct;78(4):631-8. doi: 10.1124/mol.110.064683. Epub 2010 Jul 19.@@Rogawski MA, Loscher W: The neurobiology of antiepileptic drugs. Nat Rev Neurosci. 2004 Jul;5(7):553-64. doi: 10.1038/nrn1430." Approved; Investigational Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Sodium Channel Blockers; Myelosuppressive Agents; Sensory System Agents; UGT1A1 Inducers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Carboxamide Derivatives; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Miscellaneous Anticonvulsants; Cytochrome P-450 CYP1A2 Inducers (strong); Cytochrome P-450 CYP3A5 Inducers (strong); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; UGT1A6 inducer; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Antimanic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A5 Inducers; Analgesics, Non-Narcotic; Cytochrome P-450 CYP2C19 Inducers (moderate); Dibenzazepines; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Mood Stabilizer; Immunosuppressive Agents; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Psychotropic Drugs; UGT2B7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Inducers of Drug Clearance; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strong)" NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12 Carbamazepine Metabolism Pathway drug_metabolism 4182 46507583 D00252 PA448785 DAP000129 Carbamazepine CHEMBL108 2002 DB00564 Carbamazepine BE0000849 CHRNA4 P43681 ACHA4_HUMAN 12110613; 20561518; 15309115 "Ortells MO, Barrantes GE: Molecular modelling of the interactions of carbamazepine and a nicotinic receptor involved in the autosomal dominant nocturnal frontal lobe epilepsy. Br J Pharmacol. 2002 Jul;136(6):883-95. doi: 10.1038/sj.bjp.0704786.@@Di Resta C, Ambrosi P, Curia G, Becchetti A: Effect of carbamazepine and oxcarbazepine on wild-type and mutant neuronal nicotinic acetylcholine receptors linked to nocturnal frontal lobe epilepsy. Eur J Pharmacol. 2010 Sep 15;643(1):13-20. doi: 10.1016/j.ejphar.2010.05.063. Epub 2010 Jun 16.@@Bertrand D: Neuronal Nicotinic Acetylcholine Receptors and Epilepsy. Epilepsy Curr. 2002 Nov;2(6):191-193. doi: 10.1046/j.1535-7597.2002.00072.x." Approved; Investigational Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Sodium Channel Blockers; Myelosuppressive Agents; Sensory System Agents; UGT1A1 Inducers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Carboxamide Derivatives; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Miscellaneous Anticonvulsants; Cytochrome P-450 CYP1A2 Inducers (strong); Cytochrome P-450 CYP3A5 Inducers (strong); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; UGT1A6 inducer; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Antimanic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A5 Inducers; Analgesics, Non-Narcotic; Cytochrome P-450 CYP2C19 Inducers (moderate); Dibenzazepines; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Mood Stabilizer; Immunosuppressive Agents; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Psychotropic Drugs; UGT2B7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Inducers of Drug Clearance; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strong)" NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12 Carbamazepine Metabolism Pathway drug_metabolism 4182 46507583 D00252 PA448785 DAP000129 Carbamazepine CHEMBL108 2002 DB00565 Cisatracurium BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 18363689 "Patterson E, Scherlag BJ, Zhou J, Jackman WM, Lazzara R, Coscia D, Po S: Antifibrillatory actions of cisatracurium: an atrial specific M2 receptor antagonist. J Cardiovasc Electrophysiol. 2008 Aug;19(8):861-8. doi: 10.1111/j.1540-8167.2008.01123.x. Epub 2008 Mar 21." Approved; Investigational Benzylisoquinolines Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines "Benzylisoquinolines; Anticholinergic Agents; Neuromuscular Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Neuromuscular Nondepolarizing Blockade; Nicotinic Antagonists; Central Nervous System Depressants; Muscle Relaxants; Neuromuscular-Blocking Agents (Nondepolarizing); Muscle Relaxants, Peripherally Acting Agents; Isoquinolines; Peripheral Nervous System Agents; Neuromuscular Blocking Agents" COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC)=C(OC)C=C1)[N@@+](C)(CCC(=O)OCCCCCOC(=O)CC[N@@+]1(C)CCC3=C(C=C(OC)C(OC)=C3)[C@H]1CC1=CC(OC)=C(OC)C=C1)CC2 11084 46506666 PA164744925 DAP000196 Cisatracurium_besilate CHEMBL1201248 319864 DB00568 Cinnarizine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11752352; 2866055 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Paton DM, Webster DR: Clinical pharmacokinetics of H1-receptor antagonists (the antihistamines). Clin Pharmacokinet. 1985 Nov-Dec;10(6):477-97." Approved; Investigational QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1 Cinnarizine H1-Antihistamine Action drug_action 46506769 D01295 PA164749342 DAP000325 Cinnarizine CHEMBL43064 2549 DB00568 Cinnarizine BE0000430 CACNA1C Q13936 CAC1C_HUMAN inhibitor 3530295; 1281221 "Singh BN: The mechanism of action of calcium antagonists relative to their clinical applications. Br J Clin Pharmacol. 1986;21 Suppl 2:109S-121S.@@Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28." Approved; Investigational QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1 Cinnarizine H1-Antihistamine Action drug_action 46506769 D01295 PA164749342 DAP000325 Cinnarizine CHEMBL43064 2549 DB00568 Cinnarizine BE0002359 CACNA1D Q01668 CAC1D_HUMAN inhibitor 3530295; 1281221 "Singh BN: The mechanism of action of calcium antagonists relative to their clinical applications. Br J Clin Pharmacol. 1986;21 Suppl 2:109S-121S.@@Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28." Approved; Investigational QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1 Cinnarizine H1-Antihistamine Action drug_action 46506769 D01295 PA164749342 DAP000325 Cinnarizine CHEMBL43064 2549 DB00568 Cinnarizine BE0002355 CACNA1S Q13698 CAC1S_HUMAN inhibitor 3530295; 1281221 "Singh BN: The mechanism of action of calcium antagonists relative to their clinical applications. Br J Clin Pharmacol. 1986;21 Suppl 2:109S-121S.@@Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28." Approved; Investigational QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1 Cinnarizine H1-Antihistamine Action drug_action 46506769 D01295 PA164749342 DAP000325 Cinnarizine CHEMBL43064 2549 DB00568 Cinnarizine BE0000864 CACNA1H O95180 CAC1H_HUMAN inhibitor 3530295; 1281221 "Singh BN: The mechanism of action of calcium antagonists relative to their clinical applications. Br J Clin Pharmacol. 1986;21 Suppl 2:109S-121S.@@Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28." Approved; Investigational QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1 Cinnarizine H1-Antihistamine Action drug_action 46506769 D01295 PA164749342 DAP000325 Cinnarizine CHEMBL43064 2549 DB00568 Cinnarizine BE0000012 CACNA1I Q9P0X4 CAC1I_HUMAN inhibitor 3530295; 1281221 "Singh BN: The mechanism of action of calcium antagonists relative to their clinical applications. Br J Clin Pharmacol. 1986;21 Suppl 2:109S-121S.@@Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28." Approved; Investigational QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1 Cinnarizine H1-Antihistamine Action drug_action 46506769 D01295 PA164749342 DAP000325 Cinnarizine CHEMBL43064 2549 DB00568 Cinnarizine BE0004890 CHRM1 P08912 ACM5_HUMAN binder 11180191 "Nasu R, Matsuo H, Takanaga H, Ohtani H, Sawada Y: Quantitative prediction of catalepsy induced by amoxapine, cinnarizine and cyclophosphamide in mice. Biopharm Drug Dispos. 2000 May;21(4):129-38." Approved; Investigational QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1 Cinnarizine H1-Antihistamine Action drug_action 46506769 D01295 PA164749342 DAP000325 Cinnarizine CHEMBL43064 2549 DB00569 Fondaparinux BE0000216 F10 P00742 FA10_HUMAN inhibitor 19825921 "Grouzi E, Kyriakou E, Panagou I, Spiliotopoulou I: Fondaparinux for the treatment of acute heparin-induced thrombocytopenia: a single-center experience. Clin Appl Thromb Hemost. 2010 Dec;16(6):663-7. doi: 10.1177/1076029609347900. Epub 2009 Oct 13." Approved; Investigational Protease Inhibitors; Serine Protease Inhibitors; Cardiovascular Agents; Miscellaneous Anticoagulants; Enzyme Inhibitors; Blood and Blood Forming Organs; Carbohydrates; Oligosaccharides; Anticoagulants; Factor Xa Inhibitors; Hematologic Agents; Polysaccharides; Indirect factor Xa inhibitors; Drugs that are Mainly Renally Excreted; Fibrin Modulating Agents; Antithrombins CO[C@H]1O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]5NS(O)(=O)=O)[C@H](O)[C@H]4O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3NS(O)(=O)=O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](O)[C@H]1NS(O)(=O)=O Fondaparinux Action Pathway drug_action 12253 46505595 PA164746297 DNC000658 Fondaparinux CHEMBL1201202 DB00570 Vinblastine BE0003711 TUBD1 Q9UJT1 TBD_HUMAN binder 18220533; 1818332; 9664292; 15579115; 14619954 "Jordan MA, Kamath K: How do microtubule-targeted drugs work? An overview. Curr Cancer Drug Targets. 2007 Dec;7(8):730-42.@@Correia JJ: Effects of antimitotic agents on tubulin-nucleotide interactions. Pharmacol Ther. 1991 Nov;52(2):127-47.@@Jordan A, Hadfield JA, Lawrence NJ, McGown AT: Tubulin as a target for anticancer drugs: agents which interact with the mitotic spindle. Med Res Rev. 1998 Jul;18(4):259-96.@@Islam MN, Iskander MN: Microtubulin binding sites as target for developing anticancer agents. Mini Rev Med Chem. 2004 Dec;4(10):1077-104.@@Gupta S, Bhattacharyya B: Antimicrotubular drugs binding to vinca domain of tubulin. Mol Cell Biochem. 2003 Nov;253(1-2):41-7." Approved Vinca alkaloids Organic compounds; Alkaloids and derivatives; Vinca alkaloids "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Tubulin Modulators; Antimitotic Agents; Indolizidines; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Indoles; Cytochrome P-450 Enzyme Inducers; Vinca Alkaloids; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Secologanin Tryptamine Alkaloids; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Indolizines" [H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@@]13[H])[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=C2C=CC=C1)C(=O)OC Vinblastine Action Pathway drug_action 9407 46504550 PA451877 DAP000785 Vinblastine CHEMBL159 11198 DB00571 Propranolol BE0001012 ADRB3 P13945 ADRB3_HUMAN antagonist 11752352; 20231523 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Berg T, Piercey BW, Jensen J: Role of beta1-3-adrenoceptors in blood pressure control at rest and during tyramine-induced norepinephrine release in spontaneously hypertensive rats. Hypertension. 2010 May;55(5):1224-30. doi: 10.1161/HYPERTENSIONAHA.109.149286. Epub 2010 Mar 15." Approved; Investigational Naphthalenes Organic compounds; Benzenoids; Naphthalenes "Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Amines; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Phenoxypropanolamines; Hypotensive Agents; Amino Alcohols; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Alcohols; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Beta Blocking Agents and Thiazides; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Vasodilating Agents; Propanols; Cytochrome P-450 CYP3A4 Substrates; Beta Blocking Agents, Non-Selective, and Thiazides; Beta Blocking Agents, Non-Selective; Antiarrhythmic agents; Propanolamines; Adrenergic beta-Antagonists; Naphthalenes; Neurotransmitter Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" CC(C)NCC(O)COC1=CC=CC2=C1C=CC=C2 Propranolol Action Pathway drug_action 22895 46505387 D08443 PA451145 DAP000089 Propranolol CHEMBL27 8787 DB00572 Atropine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 16248990; 17087737; 15333678; 17588565; 16188951; 7855217; 22222705; 1323653 "Roman S, Badia A, Camps P, Munoz-Torrero D, Clos MV: Nicotinic-receptor potentiator drugs, huprine X and galantamine, increase ACh release by blocking AChE activity but not acting on nicotinic receptors. Brain Res. 2005 Nov 9;1061(2):73-9. Epub 2005 Oct 24.@@Minaba M, Ichiyama S, Kojima K, Ozaki M, Kato Y: Activation of nematode G protein GOA-1 by the human muscarinic acetylcholine receptor M2 subtype. Functional coupling of G-protein-coupled receptor and G protein originated from evolutionarily distant animals. FEBS J. 2006 Dec;273(24):5508-16. Epub 2006 Nov 3.@@May LT, Lin Y, Sexton PM, Christopoulos A: Regulation of M2 muscarinic acetylcholine receptor expression and signaling by prolonged exposure to allosteric modulators. J Pharmacol Exp Ther. 2005 Jan;312(1):382-90. Epub 2004 Aug 27.@@Cembala TM, Forde SC, Appadu BL, Lambert DG: Allosteric interaction of the neuromuscular blockers vecuronium and pancuronium with recombinant human muscarinic M2 receptors. Eur J Pharmacol. 2007 Aug 13;569(1-2):37-40. Epub 2007 May 22.@@Nelson CP, Nahorski SR, Challiss RA: Constitutive activity and inverse agonism at the M2 muscarinic acetylcholine receptor. J Pharmacol Exp Ther. 2006 Jan;316(1):279-88. Epub 2005 Sep 27.@@Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Buels KS, Fryer AD: Muscarinic receptor antagonists: effects on pulmonary function. Handb Exp Pharmacol. 2012;(208):317-41. doi: 10.1007/978-3-642-23274-9_14.@@Wall SJ, Yasuda RP, Li M, Ciesla W, Wolfe BB: Differential regulation of subtypes m1-m5 of muscarinic receptors in forebrain by chronic atropine administration. J Pharmacol Exp Ther. 1992 Aug;262(2):584-8." Approved; Vet_approved Tropane alkaloids Organic compounds; Alkaloids and derivatives; Tropane alkaloids "QTc Prolonging Agents; Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cardiovascular Agents; Belladonna and Derivatives, Plain; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Mydriatics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; BSEP/ABCB11 Substrates; Parasympatholytics; Adjuvants, Anesthesia; Antiarrhythmic agents; Muscarinic Antagonists; Ophthalmologicals; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Belladonna Alkaloids, Tertiary Amines; Sensory Organs" CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1 8972 46507540 D00113 PA448505 DAP000377 Atropine CHEMBL517712 1223 DB00572 Atropine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 7855217; 22222705; 1323653 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Buels KS, Fryer AD: Muscarinic receptor antagonists: effects on pulmonary function. Handb Exp Pharmacol. 2012;(208):317-41. doi: 10.1007/978-3-642-23274-9_14.@@Wall SJ, Yasuda RP, Li M, Ciesla W, Wolfe BB: Differential regulation of subtypes m1-m5 of muscarinic receptors in forebrain by chronic atropine administration. J Pharmacol Exp Ther. 1992 Aug;262(2):584-8." Approved; Vet_approved Tropane alkaloids Organic compounds; Alkaloids and derivatives; Tropane alkaloids "QTc Prolonging Agents; Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cardiovascular Agents; Belladonna and Derivatives, Plain; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Mydriatics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; BSEP/ABCB11 Substrates; Parasympatholytics; Adjuvants, Anesthesia; Antiarrhythmic agents; Muscarinic Antagonists; Ophthalmologicals; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Belladonna Alkaloids, Tertiary Amines; Sensory Organs" CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1 8972 46507540 D00113 PA448505 DAP000377 Atropine CHEMBL517712 1223 DB00572 Atropine BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 7855217; 22222705; 1323653 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Buels KS, Fryer AD: Muscarinic receptor antagonists: effects on pulmonary function. Handb Exp Pharmacol. 2012;(208):317-41. doi: 10.1007/978-3-642-23274-9_14.@@Wall SJ, Yasuda RP, Li M, Ciesla W, Wolfe BB: Differential regulation of subtypes m1-m5 of muscarinic receptors in forebrain by chronic atropine administration. J Pharmacol Exp Ther. 1992 Aug;262(2):584-8." Approved; Vet_approved Tropane alkaloids Organic compounds; Alkaloids and derivatives; Tropane alkaloids "QTc Prolonging Agents; Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cardiovascular Agents; Belladonna and Derivatives, Plain; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Mydriatics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; BSEP/ABCB11 Substrates; Parasympatholytics; Adjuvants, Anesthesia; Antiarrhythmic agents; Muscarinic Antagonists; Ophthalmologicals; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Belladonna Alkaloids, Tertiary Amines; Sensory Organs" CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1 8972 46507540 D00113 PA448505 DAP000377 Atropine CHEMBL517712 1223 DB00572 Atropine BE0000433 GLRA1 P23415 GLRA1_HUMAN antagonist 15081878 "Jensen AA, Kristiansen U: Functional characterisation of the human alpha1 glycine receptor in a fluorescence-based membrane potential assay. Biochem Pharmacol. 2004 May 1;67(9):1789-99." Approved; Vet_approved Tropane alkaloids Organic compounds; Alkaloids and derivatives; Tropane alkaloids "QTc Prolonging Agents; Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cardiovascular Agents; Belladonna and Derivatives, Plain; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Mydriatics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; BSEP/ABCB11 Substrates; Parasympatholytics; Adjuvants, Anesthesia; Antiarrhythmic agents; Muscarinic Antagonists; Ophthalmologicals; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Belladonna Alkaloids, Tertiary Amines; Sensory Organs" CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1 8972 46507540 D00113 PA448505 DAP000377 Atropine CHEMBL517712 1223 DB00572 Atropine BE0000849 CHRNA4 P43681 ACHA4_HUMAN 15733544 "Smulders CJ, Zwart R, Bermudez I, van Kleef RG, Groot-Kormelink PJ, Vijverberg HP: Cholinergic drugs potentiate human nicotinic alpha4beta2 acetylcholine receptors by a competitive mechanism. Eur J Pharmacol. 2005 Feb 21;509(2-3):97-108." Approved; Vet_approved Tropane alkaloids Organic compounds; Alkaloids and derivatives; Tropane alkaloids "QTc Prolonging Agents; Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cardiovascular Agents; Belladonna and Derivatives, Plain; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Mydriatics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; BSEP/ABCB11 Substrates; Parasympatholytics; Adjuvants, Anesthesia; Antiarrhythmic agents; Muscarinic Antagonists; Ophthalmologicals; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Belladonna Alkaloids, Tertiary Amines; Sensory Organs" CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1 8972 46507540 D00113 PA448505 DAP000377 Atropine CHEMBL517712 1223 DB00573 Fenoprofen BE0000071 PPARA Q07869 PPARA_HUMAN activator 9013583 "Lehmann JM, Lenhard JM, Oliver BB, Ringold GM, Kliewer SA: Peroxisome proliferator-activated receptors alpha and gamma are activated by indomethacin and other non-steroidal anti-inflammatory drugs. J Biol Chem. 1997 Feb 7;272(6):3406-10." Approved Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers "Non COX-2 selective NSAIDS; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Phenylpropionates; Musculo-Skeletal System; Acids, Carbocyclic; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Propionates; Cyclooxygenase Inhibitors; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Antirheumatic Agents" CC(C(O)=O)C1=CC(OC2=CC=CC=C2)=CC=C1 Fenoprofen Action Pathway drug_action 11356 46504597 D00968 PA449597 DAP000619 Fenoprofen CHEMBL1297 4331 DB00573 Fenoprofen BE0000215 PPARG P37231 PPARG_HUMAN 9013583 "Lehmann JM, Lenhard JM, Oliver BB, Ringold GM, Kliewer SA: Peroxisome proliferator-activated receptors alpha and gamma are activated by indomethacin and other non-steroidal anti-inflammatory drugs. J Biol Chem. 1997 Feb 7;272(6):3406-10." Approved Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers "Non COX-2 selective NSAIDS; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Phenylpropionates; Musculo-Skeletal System; Acids, Carbocyclic; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Propionates; Cyclooxygenase Inhibitors; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Antirheumatic Agents" CC(C(O)=O)C1=CC(OC2=CC=CC=C2)=CC=C1 Fenoprofen Action Pathway drug_action 11356 46504597 D00968 PA449597 DAP000619 Fenoprofen CHEMBL1297 4331 DB00574 Fenfluramine BE0000533 HTR2C P28335 5HT2C_HUMAN agonist 10617681; 12708517; 15869562; 16249524; 16973729; 32169824; 10498829; 29805740; 31116409; 26822114; 28428755 "Fitzgerald LW, Burn TC, Brown BS, Patterson JP, Corjay MH, Valentine PA, Sun JH, Link JR, Abbaszade I, Hollis JM, Largent BL, Hartig PR, Hollis GF, Meunier PC, Robichaud AJ, Robertson DW: Possible role of valvular serotonin 5-HT(2B) receptors in the cardiopathy associated with fenfluramine. Mol Pharmacol. 2000 Jan;57(1):75-81.@@McCreary AC, Filip M, Cunningham KA: Discriminative stimulus properties of (+/-)-fenfluramine: the role of 5-HT2 receptor subtypes. Behav Neurosci. 2003 Apr;117(2):212-21.@@Schuhler S, Clark A, Joseph W, Patel A, Lehnen K, Stratford E, Horan TL, Fone KC, Ebling FJ: Involvement of 5-HT receptors in the regulation of food intake in Siberian hamsters. J Neuroendocrinol. 2005 May;17(5):276-85.@@Miller KJ: Serotonin 5-ht2c receptor agonists: potential for the treatment of obesity. Mol Interv. 2005 Oct;5(5):282-91.@@Nonogaki K, Nozue K, Oka Y: Hyperphagia alters expression of hypothalamic 5-HT2C and 5-HT1B receptor genes and plasma des-acyl ghrelin levels in Ay mice. Endocrinology. 2006 Dec;147(12):5893-900. Epub 2006 Sep 14.@@Martin P, de Witte PAM, Maurice T, Gammaitoni A, Farfel G, Galer B: Fenfluramine acts as a positive modulator of sigma-1 receptors. Epilepsy Behav. 2020 Apr;105:106989. doi: 10.1016/j.yebeh.2020.106989. Epub 2020 Mar 10.@@Porter RH, Benwell KR, Lamb H, Malcolm CS, Allen NH, Revell DF, Adams DR, Sheardown MJ: Functional characterization of agonists at recombinant human 5-HT2A, 5-HT2B and 5-HT2C receptors in CHO-K1 cells. Br J Pharmacol. 1999 Sep;128(1):13-20.@@Rodriguez-Munoz M, Sanchez-Blazquez P, Garzon J: Fenfluramine diminishes NMDA receptor-mediated seizures via its mixed activity at serotonin 5HT2A and type 1 sigma receptors. Oncotarget. 2018 May 4;9(34):23373-23389. doi: 10.18632/oncotarget.25169. eCollection 2018 May 4.@@Schoonjans AS, Ceulemans B: An Old Drug for a New Indication: Repurposing Fenfluramine From an Anorexigen to an Antiepileptic Drug. Clin Pharmacol Ther. 2019 Nov;106(5):929-932. doi: 10.1002/cpt.1469. Epub 2019 May 22.@@Sourbron J, Schneider H, Kecskes A, Liu Y, Buening EM, Lagae L, Smolders I, de Witte P: Serotonergic Modulation as Effective Treatment for Dravet Syndrome in a Zebrafish Mutant Model. ACS Chem Neurosci. 2016 May 18;7(5):588-98. doi: 10.1021/acschemneuro.5b00342. Epub 2016 Feb 17.@@Sourbron J, Smolders I, de Witte P, Lagae L: Pharmacological Analysis of the Anti-epileptic Mechanisms of Fenfluramine in scn1a Mutant Zebrafish. Front Pharmacol. 2017 Apr 6;8:191. doi: 10.3389/fphar.2017.00191. eCollection 2017." Approved; Illicit; Investigational; Withdrawn Amphetamines and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines "Cytochrome P-450 CYP2D6 Inhibitors; Amines; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Centrally Acting Antiobesity Products; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Membrane Transport Modulators; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antiobesity Preparations, Excl. Diet Products; Phenethylamines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Stimulants; Serotonin Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Nervous System; Ethylamines; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants" CCNC(C)CC1=CC=CC(=C1)C(F)(F)F 20268 46506096 D07945 PA449592 DAP001478 Fenfluramine CHEMBL87493 4328 DB00574 Fenfluramine BE0000393 HTR2B P41595 5HT2B_HUMAN agonist 10617681; 11104741; 12761331; 14659797; 16960982; 17202450; 28073790; 32169824; 10498829; 26822114; 28428755 "Fitzgerald LW, Burn TC, Brown BS, Patterson JP, Corjay MH, Valentine PA, Sun JH, Link JR, Abbaszade I, Hollis JM, Largent BL, Hartig PR, Hollis GF, Meunier PC, Robichaud AJ, Robertson DW: Possible role of valvular serotonin 5-HT(2B) receptors in the cardiopathy associated with fenfluramine. Mol Pharmacol. 2000 Jan;57(1):75-81.@@Rothman RB, Baumann MH, Savage JE, Rauser L, McBride A, Hufeisen SJ, Roth BL: Evidence for possible involvement of 5-HT(2B) receptors in the cardiac valvulopathy associated with fenfluramine and other serotonergic medications. Circulation. 2000 Dec 5;102(23):2836-41.@@Setola V, Hufeisen SJ, Grande-Allen KJ, Vesely I, Glennon RA, Blough B, Rothman RB, Roth BL: 3,4-methylenedioxymethamphetamine (MDMA, ""Ecstasy"") induces fenfluramine-like proliferative actions on human cardiac valvular interstitial cells in vitro. Mol Pharmacol. 2003 Jun;63(6):1223-9.@@Blanpain C, Le Poul E, Parma J, Knoop C, Detheux M, Parmentier M, Vassart G, Abramowicz MJ: Serotonin 5-HT(2B) receptor loss of function mutation in a patient with fenfluramine-associated primary pulmonary hypertension. Cardiovasc Res. 2003 Dec 1;60(3):518-28.@@Kaumann AJ, Levy FO: 5-hydroxytryptamine receptors in the human cardiovascular system. Pharmacol Ther. 2006 Sep;111(3):674-706.@@Roth BL: Drugs and valvular heart disease. N Engl J Med. 2007 Jan 4;356(1):6-9.@@Griffin A, Hamling KR, Knupp K, Hong S, Lee LP, Baraban SC: Clemizole and modulators of serotonin signalling suppress seizures in Dravet syndrome. Brain. 2017 Mar 1;140(3):669-683. doi: 10.1093/brain/aww342.@@Martin P, de Witte PAM, Maurice T, Gammaitoni A, Farfel G, Galer B: Fenfluramine acts as a positive modulator of sigma-1 receptors. Epilepsy Behav. 2020 Apr;105:106989. doi: 10.1016/j.yebeh.2020.106989. Epub 2020 Mar 10.@@Porter RH, Benwell KR, Lamb H, Malcolm CS, Allen NH, Revell DF, Adams DR, Sheardown MJ: Functional characterization of agonists at recombinant human 5-HT2A, 5-HT2B and 5-HT2C receptors in CHO-K1 cells. Br J Pharmacol. 1999 Sep;128(1):13-20.@@Sourbron J, Schneider H, Kecskes A, Liu Y, Buening EM, Lagae L, Smolders I, de Witte P: Serotonergic Modulation as Effective Treatment for Dravet Syndrome in a Zebrafish Mutant Model. ACS Chem Neurosci. 2016 May 18;7(5):588-98. doi: 10.1021/acschemneuro.5b00342. Epub 2016 Feb 17.@@Sourbron J, Smolders I, de Witte P, Lagae L: Pharmacological Analysis of the Anti-epileptic Mechanisms of Fenfluramine in scn1a Mutant Zebrafish. Front Pharmacol. 2017 Apr 6;8:191. doi: 10.3389/fphar.2017.00191. eCollection 2017." Approved; Illicit; Investigational; Withdrawn Amphetamines and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines "Cytochrome P-450 CYP2D6 Inhibitors; Amines; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Centrally Acting Antiobesity Products; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Membrane Transport Modulators; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antiobesity Preparations, Excl. Diet Products; Phenethylamines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Stimulants; Serotonin Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Nervous System; Ethylamines; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants" CCNC(C)CC1=CC=CC(=C1)C(F)(F)F 20268 46506096 D07945 PA449592 DAP001478 Fenfluramine CHEMBL87493 4328 DB00575 Clonidine BE0000715 ADRA1D P25100 ADA1D_HUMAN agonist 11082457 "Millan MJ, Dekeyne A, Newman-Tancredi A, Cussac D, Audinot V, Milligan G, Duqueyroix D, Girardon S, Mullot J, Boutin JA, Nicolas JP, Renouard-Try A, Lacoste JM, Cordi A: S18616, a highly potent, spiroimidazoline agonist at alpha(2)-adrenoceptors: I. Receptor profile, antinociceptive and hypothermic actions in comparison with dexmedetomidine and clonidine. J Pharmacol Exp Ther. 2000 Dec;295(3):1192-205." Approved Dichlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes "Sensory System Agents; Antiadrenergic Agents, Centrally Acting; Central alpha-2 Adrenergic Agonist; Anesthetics, General; Adrenergic alpha-Agonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Autonomic Agents; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Sympatholytics; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Anesthetics; Antiglaucoma Preparations and Miotics; Imidazoles; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Imidazolines; Peripheral Nervous System Agents; Analgesics; Adrenergic alpha-1 Receptor Agonists; Central Alpha-agonists; Imidazoline Receptor Agonists; Sympathomimetics in Glaucoma Therapy; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Ophthalmologicals; Antimigraine Preparations; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Sensory Organs" ClC1=CC=CC(Cl)=C1NC1=NCCN1 2564 46508119 D00281 PA449051 DAP000231 Clonidine CHEMBL134 2599 DB00580 Valdecoxib BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 17826101 "Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25." Approved; Investigational; Withdrawn Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides "Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; Amides; Benzene Derivatives; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2C9 Inhibitors; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Musculo-Skeletal System; Cytochrome P-450 CYP2C9 Inhibitors (weak); Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cyclooxygenase Inhibitors; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Antirheumatic Agents" CC1=C(C(=NO1)C1=CC=CC=C1)C1=CC=C(C=C1)S(N)(=O)=O Valdecoxib Action Pathway drug_action 46506229 PA10226 DAP001541 Valdecoxib CHEMBL865 278567 DB00580 Valdecoxib BE0003625 CA3 P07451 CAH3_HUMAN inhibitor 17826101 "Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25." Approved; Investigational; Withdrawn Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides "Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; Amides; Benzene Derivatives; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2C9 Inhibitors; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Musculo-Skeletal System; Cytochrome P-450 CYP2C9 Inhibitors (weak); Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cyclooxygenase Inhibitors; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Antirheumatic Agents" CC1=C(C(=NO1)C1=CC=CC=C1)C1=CC=C(C=C1)S(N)(=O)=O Valdecoxib Action Pathway drug_action 46506229 PA10226 DAP001541 Valdecoxib CHEMBL865 278567 DB00583 Levocarnitine BE0002204 XDH P47989 XDH_HUMAN 8255367 "Di Giacomo C, Latteri F, Fichera C, Sorrenti V, Campisi A, Castorina C, Russo A, Pinturo R, Vanella A: Effect of acetyl-L-carnitine on lipid peroxidation and xanthine oxidase activity in rat skeletal muscle. Neurochem Res. 1993 Nov;18(11):1157-62." Approved; Investigational Carnitines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts Caloric Agents; OATP1B1/SLCO1B1 Inhibitors; Quaternary Ammonium Compounds; Supplements; Amines; OAT3/SLC22A8 Substrates; Trimethyl Ammonium Compounds; Amino Acids and Derivatives; Carnitine Analog; Drugs that are Mainly Renally Excreted; Dietary Supplements; Alimentary Tract and Metabolism C[N+](C)(C)C[C@H](O)CC([O-])=O "Carnitine Palmitoyl Transferase Deficiency II; Medium Chain Acyl-CoA Dehydrogenase Deficiency (MCAD); Ethylmalonic Encephalopathy; Glutaric Aciduria Type I; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Very-Long-Chain Acyl-CoA Dehydrogenase Deficiency (VLCAD); Carnitine Palmitoyl Transferase Deficiency I; Oxidation of Branched-Chain Fatty Acids; Mitochondrial Beta-Oxidation of Long Chain Saturated Fatty Acids; Fatty Acid Metabolism; Beta Oxidation of Very Long Chain Fatty Acids; Carnitine-Acylcarnitine Translocase Deficiency; Carnitine Synthesis; Trifunctional Protein Deficiency; Adrenoleukodystrophy, X-Linked; Long Chain Acyl-CoA Dehydrogenase Deficiency (LCAD)" disease; metabolic 233 46505864 D02176 PA450154 DAP000958 Carnitine CHEMBL1149 2106 DB00583 Levocarnitine BE0000406 CPT1A P50416 CPT1A_HUMAN activator 12705401; 14711372; 15647998; 16283381; 16362726; 11752352 "Xu ZR, Wang MQ, Mao HX, Zhan XA, Hu CH: Effects of L-carnitine on growth performance, carcass composition, and metabolism of lipids in male broilers. Poult Sci. 2003 Mar;82(3):408-13.@@Morillas M, Lopez-Vinas E, Valencia A, Serra D, Gomez-Puertas P, Hegardt FG, Asins G: Structural model of carnitine palmitoyltransferase I based on the carnitine acetyltransferase crystal. Biochem J. 2004 May 1;379(Pt 3):777-84.@@Tripodi G, Modica R, Stella A, Bigatti G, Bianchi G, Stella P: Haplotype analysis of carnitine transporters and left ventricular mass in human essential hypertension. J Ren Nutr. 2005 Jan;15(1):2-7.@@Waldner R, Laschan C, Lohninger A, Gessner M, Tuchler H, Huemer M, Spiegel W, Karlic H: Effects of doxorubicin-containing chemotherapy and a combination with L-carnitine on oxidative metabolism in patients with non-Hodgkin lymphoma. J Cancer Res Clin Oncol. 2006 Feb;132(2):121-8. Epub 2005 Nov 8.@@Shin ES, Cho SY, Lee EH, Lee SJ, Chang IS, Lee TR: Positive regulation of hepatic carnitine palmitoyl transferase 1A (CPT1A) activities by soy isoflavones and L-carnitine. Eur J Nutr. 2006 Mar;45(3):159-64. Epub 2005 Dec 20.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Carnitines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts Caloric Agents; OATP1B1/SLCO1B1 Inhibitors; Quaternary Ammonium Compounds; Supplements; Amines; OAT3/SLC22A8 Substrates; Trimethyl Ammonium Compounds; Amino Acids and Derivatives; Carnitine Analog; Drugs that are Mainly Renally Excreted; Dietary Supplements; Alimentary Tract and Metabolism C[N+](C)(C)C[C@H](O)CC([O-])=O "Carnitine Palmitoyl Transferase Deficiency II; Medium Chain Acyl-CoA Dehydrogenase Deficiency (MCAD); Ethylmalonic Encephalopathy; Glutaric Aciduria Type I; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Very-Long-Chain Acyl-CoA Dehydrogenase Deficiency (VLCAD); Carnitine Palmitoyl Transferase Deficiency I; Oxidation of Branched-Chain Fatty Acids; Mitochondrial Beta-Oxidation of Long Chain Saturated Fatty Acids; Fatty Acid Metabolism; Beta Oxidation of Very Long Chain Fatty Acids; Carnitine-Acylcarnitine Translocase Deficiency; Carnitine Synthesis; Trifunctional Protein Deficiency; Adrenoleukodystrophy, X-Linked; Long Chain Acyl-CoA Dehydrogenase Deficiency (LCAD)" disease; metabolic 233 46505864 D02176 PA450154 DAP000958 Carnitine CHEMBL1149 2106 DB00583 Levocarnitine BE0000757 SLC22A4 Q9H015 S22A4_HUMAN 12181285; 14506273; 16246312; 16997449 "Kristufek D, Rudorfer W, Pifl C, Huck S: Organic cation transporter mRNA and function in the rat superior cervical ganglion. J Physiol. 2002 Aug 15;543(Pt 1):117-34.@@Amat di San Filippo C, Wang Y, Longo N: Functional domains in the carnitine transporter OCTN2, defective in primary carnitine deficiency. J Biol Chem. 2003 Nov 28;278(48):47776-84. Epub 2003 Sep 23.@@Lamhonwah AM, Ackerley C, Onizuka R, Tilups A, Lamhonwah D, Chung C, Tao KS, Tellier R, Tein I: Epitope shared by functional variant of organic cation/carnitine transporter, OCTN1, Campylobacter jejuni and Mycobacterium paratuberculosis may underlie susceptibility to Crohn's disease at 5q31. Biochem Biophys Res Commun. 2005 Dec 2;337(4):1165-75. Epub 2005 Oct 6.@@Lash LH, Putt DA, Cai H: Membrane transport function in primary cultures of human proximal tubular cells. Toxicology. 2006 Dec 7;228(2-3):200-18. Epub 2006 Sep 1." Approved; Investigational Carnitines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts Caloric Agents; OATP1B1/SLCO1B1 Inhibitors; Quaternary Ammonium Compounds; Supplements; Amines; OAT3/SLC22A8 Substrates; Trimethyl Ammonium Compounds; Amino Acids and Derivatives; Carnitine Analog; Drugs that are Mainly Renally Excreted; Dietary Supplements; Alimentary Tract and Metabolism C[N+](C)(C)C[C@H](O)CC([O-])=O "Carnitine Palmitoyl Transferase Deficiency II; Medium Chain Acyl-CoA Dehydrogenase Deficiency (MCAD); Ethylmalonic Encephalopathy; Glutaric Aciduria Type I; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Very-Long-Chain Acyl-CoA Dehydrogenase Deficiency (VLCAD); Carnitine Palmitoyl Transferase Deficiency I; Oxidation of Branched-Chain Fatty Acids; Mitochondrial Beta-Oxidation of Long Chain Saturated Fatty Acids; Fatty Acid Metabolism; Beta Oxidation of Very Long Chain Fatty Acids; Carnitine-Acylcarnitine Translocase Deficiency; Carnitine Synthesis; Trifunctional Protein Deficiency; Adrenoleukodystrophy, X-Linked; Long Chain Acyl-CoA Dehydrogenase Deficiency (LCAD)" disease; metabolic 233 46505864 D02176 PA450154 DAP000958 Carnitine CHEMBL1149 2106 DB00583 Levocarnitine BE0000579 SLC25A20 O43772 MCAT_HUMAN 12882971; 15515015; 15757911 "Sekoguchi E, Sato N, Yasui A, Fukada S, Nimura Y, Aburatani H, Ikeda K, Matsuura A: A novel mitochondrial carnitine-acylcarnitine translocase induced by partial hepatectomy and fasting. J Biol Chem. 2003 Oct 3;278(40):38796-802. Epub 2003 Jul 25.@@Peluso G, Petillo O, Margarucci S, Grippo P, Melone MA, Tuccillo F, Calvani M: Differential carnitine/acylcarnitine translocase expression defines distinct metabolic signatures in skeletal muscle cells. J Cell Physiol. 2005 May;203(2):439-46.@@Tonazzi A, Giangregorio N, Indiveri C, Palmieri F: Identification by site-directed mutagenesis and chemical modification of three vicinal cysteine residues in rat mitochondrial carnitine/acylcarnitine transporter. J Biol Chem. 2005 May 20;280(20):19607-12. Epub 2005 Mar 9." Approved; Investigational Carnitines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts Caloric Agents; OATP1B1/SLCO1B1 Inhibitors; Quaternary Ammonium Compounds; Supplements; Amines; OAT3/SLC22A8 Substrates; Trimethyl Ammonium Compounds; Amino Acids and Derivatives; Carnitine Analog; Drugs that are Mainly Renally Excreted; Dietary Supplements; Alimentary Tract and Metabolism C[N+](C)(C)C[C@H](O)CC([O-])=O "Carnitine Palmitoyl Transferase Deficiency II; Medium Chain Acyl-CoA Dehydrogenase Deficiency (MCAD); Ethylmalonic Encephalopathy; Glutaric Aciduria Type I; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Very-Long-Chain Acyl-CoA Dehydrogenase Deficiency (VLCAD); Carnitine Palmitoyl Transferase Deficiency I; Oxidation of Branched-Chain Fatty Acids; Mitochondrial Beta-Oxidation of Long Chain Saturated Fatty Acids; Fatty Acid Metabolism; Beta Oxidation of Very Long Chain Fatty Acids; Carnitine-Acylcarnitine Translocase Deficiency; Carnitine Synthesis; Trifunctional Protein Deficiency; Adrenoleukodystrophy, X-Linked; Long Chain Acyl-CoA Dehydrogenase Deficiency (LCAD)" disease; metabolic 233 46505864 D02176 PA450154 DAP000958 Carnitine CHEMBL1149 2106 DB00583 Levocarnitine BE0000373 CROT Q9UKG9 OCTC_HUMAN 15155769; 16681386 "Cordente AG, Lopez-Vinas E, Vazquez MI, Swiegers JH, Pretorius IS, Gomez-Puertas P, Hegardt FG, Asins G, Serra D: Redesign of carnitine acetyltransferase specificity by protein engineering. J Biol Chem. 2004 Aug 6;279(32):33899-908. Epub 2004 May 21.@@Cordente AG, Lopez-Vinas E, Vazquez MI, Gomez-Puertas P, Asins G, Serra D, Hegardt FG: Mutagenesis of specific amino acids converts carnitine acetyltransferase into carnitine palmitoyltransferase. Biochemistry. 2006 May 16;45(19):6133-41." Approved; Investigational Carnitines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts Caloric Agents; OATP1B1/SLCO1B1 Inhibitors; Quaternary Ammonium Compounds; Supplements; Amines; OAT3/SLC22A8 Substrates; Trimethyl Ammonium Compounds; Amino Acids and Derivatives; Carnitine Analog; Drugs that are Mainly Renally Excreted; Dietary Supplements; Alimentary Tract and Metabolism C[N+](C)(C)C[C@H](O)CC([O-])=O "Carnitine Palmitoyl Transferase Deficiency II; Medium Chain Acyl-CoA Dehydrogenase Deficiency (MCAD); Ethylmalonic Encephalopathy; Glutaric Aciduria Type I; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Very-Long-Chain Acyl-CoA Dehydrogenase Deficiency (VLCAD); Carnitine Palmitoyl Transferase Deficiency I; Oxidation of Branched-Chain Fatty Acids; Mitochondrial Beta-Oxidation of Long Chain Saturated Fatty Acids; Fatty Acid Metabolism; Beta Oxidation of Very Long Chain Fatty Acids; Carnitine-Acylcarnitine Translocase Deficiency; Carnitine Synthesis; Trifunctional Protein Deficiency; Adrenoleukodystrophy, X-Linked; Long Chain Acyl-CoA Dehydrogenase Deficiency (LCAD)" disease; metabolic 233 46505864 D02176 PA450154 DAP000958 Carnitine CHEMBL1149 2106 DB00585 Nizatidine BE0000112 HRH2 P25021 HRH2_HUMAN antagonist 11752352; 1843561; 2858133; 2877081; 2567267; 2895808 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Enriz RD, Jauregui EA: [Theoretical conformation study of tiotidine and nizatidine, two strong histamine H2-receptor antagonists]. Acta Cient Venez. 1991;42(2):70-6.@@Meredith CG, Speeg KV Jr, Schenker S: Nizatidine, a new histamine H2-receptor antagonist, and hepatic oxidative drug metabolism in the rat: a comparison with structurally related compounds. Toxicol Appl Pharmacol. 1985 Feb;77(2):315-24.@@Lin TM, Evans DC, Warrick MW, Pioch RP: Actions of nizatidine, a selective histamine H2-receptor antagonist, on gastric acid secretion in dogs, rats and frogs. J Pharmacol Exp Ther. 1986 Nov;239(2):406-10.@@Okabe S, Takeuchi K, Okada M, Kumadaki Y, Nakata M, Nakata H: [Effects of nizatidine, a new histamine H2-receptor antagonist, on gastric acid secretion and various gastric and duodenal lesions in rats: comparison with cimetidine]. Nihon Yakurigaku Zasshi. 1989 Mar;93(3):133-44.@@Kounenis G, Koutsoviti-Papadopoulou M, Elezoglou V: The excitatory effect of the new histamine H2-receptor antagonist nizatidine (LY 139037) on the guinea pig ileum. J Pharmacobiodyn. 1987 Nov;10(11):669-72." Approved "2,4-disubstituted thiazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Agents Causing Muscle Toxicity; Anti-Ulcer Agents; Histamine H2 Antagonists; Acid Reducers; Thiazoles; Gastric Acid Lowering Agents; Histamine Antagonists; Cholinesterase Inhibitors; Neurotransmitter Agents; Drugs for Acid Related Disorders; Sulfur Compounds; Histamine Agents; P-glycoprotein substrates; Gastrointestinal Agents; Alimentary Tract and Metabolism CNC(NCCSCC1=CSC(CN(C)C)=N1)=C[N+]([O-])=O Nizatidine Action Pathway drug_action 1305 46507554 D00440 PA164752234 DAP000339 Nizatidine CHEMBL3183075 42319 DB00588 Fluticasone propionate BE0000794 NR3C1 P04150 GCR_HUMAN agonist 10200007; 10518812; 11730731; 7878687; 8646863; 11752352 "Andersson O, Cassel TN, Gronneberg R, Bronnegard M, Stierna P, Nord M: In vivo modulation of glucocorticoid receptor mRNA by inhaled fluticasone propionate in bronchial mucosa and blood lymphocytes in subjects with mild asthma. J Allergy Clin Immunol. 1999 Apr;103(4):595-600.@@Lumry WR: A review of the preclinical and clinical data of newer intranasal steroids used in the treatment of allergic rhinitis. J Allergy Clin Immunol. 1999 Oct;104(4 Pt 1):S150-8.@@Zhang X, Moilanen E, Kankaanranta H: Beclomethasone, budesonide and fluticasone propionate inhibit human neutrophil apoptosis. Eur J Pharmacol. 2001 Nov 23;431(3):365-71.@@Hogger P, Rohdewald P: Binding kinetics of fluticasone propionate to the human glucocorticoid receptor. Steroids. 1994 Oct;59(10):597-602.@@Johnson M: Fluticasone propionate: safety profile. Cutis. 1996 Feb;57(2 Suppl):10-2.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Anti-Allergic Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Androstadienes; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Peripheral Nervous System Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Adrenals; Cytochrome P-450 CYP2C8 Inhibitors (strong)" [H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C 637 46506140 D01708 PA449686 DAP001039 Fluticasone_propionate CHEMBL1473 50121 DB00588 Fluticasone propionate BE0000557 PGR P06401 PRGR_HUMAN agonist 16507850; 12503693 "Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6.@@Austin RJ, Maschera B, Walker A, Fairbairn L, Meldrum E, Farrow SN, Uings IJ: Mometasone furoate is a less specific glucocorticoid than fluticasone propionate. Eur Respir J. 2002 Dec;20(6):1386-92." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Anti-Allergic Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Androstadienes; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Peripheral Nervous System Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Adrenals; Cytochrome P-450 CYP2C8 Inhibitors (strong)" [H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C 637 46506140 D01708 PA449686 DAP001039 Fluticasone_propionate CHEMBL1473 50121 DB00588 Fluticasone propionate BE0000657 PLA2G4A P47712 PA24A_HUMAN inhibitor 10351938; 15083746 "Sano A, Munoz NM, Sano H, Choi J, Zhu X, Jacobs B, Leff AR: Inhibition of cPLA2 translocation and leukotriene C4 secretion by fluticasone propionate in exogenously activated human eosinophils. Am J Respir Crit Care Med. 1999 Jun;159(6):1903-9.@@Myo S, Zhu X, Myou S, Meliton AY, Liu J, Boetticher E, Lambertino AT, Xu C, Munoz NM, Leff AR: Additive blockade of beta 2-integrin adhesion of eosinophils by salmeterol and fluticasone propionate. Eur Respir J. 2004 Apr;23(4):511-7." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Anti-Allergic Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Androstadienes; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Peripheral Nervous System Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Adrenals; Cytochrome P-450 CYP2C8 Inhibitors (strong)" [H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C 637 46506140 D01708 PA449686 DAP001039 Fluticasone_propionate CHEMBL1473 50121 DB00588 Fluticasone propionate BE0000668 NR3C2 P08235 MCR_HUMAN antagonist 12503693; 16507850 "Austin RJ, Maschera B, Walker A, Fairbairn L, Meldrum E, Farrow SN, Uings IJ: Mometasone furoate is a less specific glucocorticoid than fluticasone propionate. Eur Respir J. 2002 Dec;20(6):1386-92.@@Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Anti-Allergic Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Androstadienes; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Peripheral Nervous System Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Adrenals; Cytochrome P-450 CYP2C8 Inhibitors (strong)" [H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C 637 46506140 D01708 PA449686 DAP001039 Fluticasone_propionate CHEMBL1473 50121 DB00589 Lisuride BE0000581 DRD3 P35462 DRD3_HUMAN agonist 18691132 "Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67." Approved; Investigational Indoloquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines "Serotonin 5-HT2 Receptor Antagonists; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Genito Urinary System and Sex Hormones; Dopamine Antagonists; Ergolines; Ergot Alkaloids and Derivatives; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Analgesics; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents" [H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)NC(=O)N(CC)CC 46505557 D08132 PA164749019 DAP000255 Lisuride CHEMBL157138 6446 DB00589 Lisuride BE0000533 HTR2C P28335 5HT2C_HUMAN agonist 18691132; 9600588 "Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Egan CT, Herrick-Davis K, Miller K, Glennon RA, Teitler M: Agonist activity of LSD and lisuride at cloned 5HT2A and 5HT2C receptors. Psychopharmacology (Berl). 1998 Apr;136(4):409-14." Approved; Investigational Indoloquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines "Serotonin 5-HT2 Receptor Antagonists; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Genito Urinary System and Sex Hormones; Dopamine Antagonists; Ergolines; Ergot Alkaloids and Derivatives; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Analgesics; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents" [H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)NC(=O)N(CC)CC 46505557 D08132 PA164749019 DAP000255 Lisuride CHEMBL157138 6446 DB00589 Lisuride BE0000393 HTR2B P41595 5HT2B_HUMAN antagonist 18691132 "Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67." Approved; Investigational Indoloquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines "Serotonin 5-HT2 Receptor Antagonists; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Genito Urinary System and Sex Hormones; Dopamine Antagonists; Ergolines; Ergot Alkaloids and Derivatives; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Analgesics; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents" [H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)NC(=O)N(CC)CC 46505557 D08132 PA164749019 DAP000255 Lisuride CHEMBL157138 6446 DB00589 Lisuride BE0000650 HTR7 P34969 5HT7R_HUMAN 18996971; 19509219 "Knight JA, Smith C, Toohey N, Klein MT, Teitler M: Pharmacological analysis of the novel, rapid, and potent inactivation of the human 5-Hydroxytryptamine7 receptor by risperidone, 9-OH-Risperidone, and other inactivating antagonists. Mol Pharmacol. 2009 Feb;75(2):374-80. doi: 10.1124/mol.108.052084. Epub 2008 Nov 7.@@Toohey N, Klein MT, Knight J, Smith C, Teitler M: Human 5-HT7 receptor-induced inactivation of forskolin-stimulated adenylate cyclase by risperidone, 9-OH-risperidone and other ""inactivating antagonists"". Mol Pharmacol. 2009 Sep;76(3):552-9. doi: 10.1124/mol.109.056283. Epub 2009 Jun 9." Approved; Investigational Indoloquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines "Serotonin 5-HT2 Receptor Antagonists; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Genito Urinary System and Sex Hormones; Dopamine Antagonists; Ergolines; Ergot Alkaloids and Derivatives; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Analgesics; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents" [H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)NC(=O)N(CC)CC 46505557 D08132 PA164749019 DAP000255 Lisuride CHEMBL157138 6446 DB00590 Doxazosin BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 9223558; 18304211 "Martin DJ, Lluel P, Guillot E, Coste A, Jammes D, Angel I: Comparative alpha-1 adrenoceptor subtype selectivity and functional uroselectivity of alpha-1 adrenoceptor antagonists. J Pharmacol Exp Ther. 1997 Jul;282(1):228-35.@@Schwinn DA, Roehrborn CG: Alpha1-adrenoceptor subtypes and lower urinary tract symptoms. Int J Urol. 2008 Mar;15(3):193-9. doi: 10.1111/j.1442-2042.2007.01956.x." Approved N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Quinazolines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Antiadrenergic Agents, Peripherally Acting; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Adrenergic Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Drugs Used in Benign Prostatic Hypertrophy" COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1COC2=CC=CC=C2O1 11258 46506825 D07874 PA449407 DAP000381 Doxazosin CHEMBL707 49276 DB00590 Doxazosin BE0009629 KCNH2 Q9NS40 KCNH7_HUMAN inhibitor 15098086; 18054910; 21850047 "Thomas D, Wimmer AB, Wu K, Hammerling BC, Ficker EK, Kuryshev YA, Kiehn J, Katus HA, Schoels W, Karle CA: Inhibition of human ether-a-go-go-related gene potassium channels by alpha 1-adrenoceptor antagonists prazosin, doxazosin, and terazosin. Naunyn Schmiedebergs Arch Pharmacol. 2004 May;369(5):462-72. Epub 2004 Apr 20.@@Thomas D, Bloehs R, Koschny R, Ficker E, Sykora J, Kiehn J, Schlomer K, Gierten J, Kathofer S, Zitron E, Scholz EP, Kiesecker C, Katus HA, Karle CA: Doxazosin induces apoptosis of cells expressing hERG K+ channels. Eur J Pharmacol. 2008 Jan 28;579(1-3):98-103. doi: 10.1016/j.ejphar.2007.10.051. Epub 2007 Dec 4.@@Jehle J, Schweizer PA, Katus HA, Thomas D: Novel roles for hERG K(+) channels in cell proliferation and apoptosis. Cell Death Dis. 2011 Aug 18;2:e193. doi: 10.1038/cddis.2011.77." Approved N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Quinazolines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Antiadrenergic Agents, Peripherally Acting; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Adrenergic Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Drugs Used in Benign Prostatic Hypertrophy" COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1COC2=CC=CC=C2O1 11258 46506825 D07874 PA449407 DAP000381 Doxazosin CHEMBL707 49276 DB00591 Fluocinolone acetonide BE0000794 NR3C1 P04150 GCR_HUMAN agonist 19744340 "Nehme A, Lobenhofer EK, Stamer WD, Edelman JL: Glucocorticoids with different chemical structures but similar glucocorticoid receptor potency regulate subsets of common and unique genes in human trabecular meshwork cells. BMC Med Genomics. 2009 Sep 10;2:58. doi: 10.1186/1755-8794-2-58." Approved; Investigational; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Hormones; Otologicals; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO 7578 46506244 D01825 PA164754912 DAP000813 Fluocinolone_acetonide CHEMBL989 4461 DB00591 Fluocinolone acetonide BE0000422 ANXA1 P04083 ANXA1_HUMAN inducer Approved; Investigational; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Hormones; Otologicals; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO 7578 46506244 D01825 PA164754912 DAP000813 Fluocinolone_acetonide CHEMBL989 4461 DB00591 Fluocinolone acetonide BE0001170 ANXA2 P07355 ANXA2_HUMAN inducer Approved; Investigational; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Hormones; Otologicals; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO 7578 46506244 D01825 PA164754912 DAP000813 Fluocinolone_acetonide CHEMBL989 4461 DB00591 Fluocinolone acetonide BE0003201 ANXA3 P12429 ANXA3_HUMAN inducer Approved; Investigational; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Hormones; Otologicals; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO 7578 46506244 D01825 PA164754912 DAP000813 Fluocinolone_acetonide CHEMBL989 4461 DB00591 Fluocinolone acetonide BE0008969 ANXA4 P09525 ANXA4_HUMAN inducer Approved; Investigational; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Hormones; Otologicals; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO 7578 46506244 D01825 PA164754912 DAP000813 Fluocinolone_acetonide CHEMBL989 4461 DB00591 Fluocinolone acetonide BE0003997 PLA2G1B P04054 PA21B_HUMAN inhibitor 6877258; 3133247 "Emerit I, Levy A, Cerutti P: Suppression of tumor promoter phorbolmyristate acetate-induced chromosome breakage by antioxidants and inhibitors of arachidonic acid metabolism. Mutat Res. 1983 Aug;110(2):327-35. doi: 10.1016/0027-5107(83)90149-5.@@Kaszkin M, Espe U, Furstenberger G, Kinzel V: Dual effect of the phorbol ester TPA on arachidonic acid release from HeLa cells. FEBS Lett. 1988 Jun 20;233(2):244-8. doi: 10.1016/0014-5793(88)80435-6." Approved; Investigational; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Hormones; Otologicals; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO 7578 46506244 D01825 PA164754912 DAP000813 Fluocinolone_acetonide CHEMBL989 4461 DB00592 Piperazine BE0002345 GABRB3 P28472 GBRB3_HUMAN agonist 17139284; 17016423; 11156579; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Maskell PD, Wafford KA, Bermudez I: Effects of gamma-HCH and delta-HCH on human recombinant GABA(A) receptors: dependence on GABA(A) receptor subunit combination. Br J Pharmacol. 2001 Jan;132(1):205-12.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Vet_approved Piperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Anti-Infective Agents; Cytochrome P-450 CYP2D6 Substrates; Piperazines; Cytochrome P-450 Substrates; Antiparasitic Products, Insecticides and Repellents; Hyperglycemia-Associated Agents; Piperazine and Derivatives; Anthelmintics; Antinematodal Agents; Antiparasitic Agents" C1CNCCN1 7153 46507642 D00807 PA450977 DAP001418 Piperazine CHEMBL1412 8340 DB00594 Amiloride BE0000190 SCNN1A P37088 SCNNA_HUMAN inhibitor 12928313; 15084585; 17556672; 11752352 "Kelly O, Lin C, Ramkumar M, Saxena NC, Kleyman TR, Eaton DC: Characterization of an amiloride binding region in the alpha-subunit of ENaC. Am J Physiol Renal Physiol. 2003 Dec;285(6):F1279-90. Epub 2003 Aug 19.@@Ji HL, Benos DJ: Degenerin sites mediate proton activation of deltabetagamma-epithelial sodium channel. J Biol Chem. 2004 Jun 25;279(26):26939-47. Epub 2004 Apr 14.@@Otulakowski G, Duan W, Gandhi S, O'brodovich H: Steroid and oxygen effects on eIF4F complex, mTOR, and ENaC translation in fetal lung epithelia. Am J Respir Cell Mol Biol. 2007 Oct;37(4):457-66. Epub 2007 Jun 7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Aminopyrazines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines Hypotensive Agents; Natriuretic Agents; Cardiovascular Agents; Sodium Channel Blockers; OCT2 Inhibitors; Potassium-Sparing Diuretics; Agents causing hyperkalemia; Diuretics; Increased Diuresis; Epithelial Sodium Channel Blockers; Membrane Transport Modulators; Acid Sensing Ion Channel Blockers; Pyrazines; Decreased Renal K+ Excretion NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N Amiloride Action Pathway drug_action 20230 46508156 D07447 PA448368 DAP000187 Amiloride CHEMBL945 644 DB00594 Amiloride BE0000024 SCNN1B P51168 SCNNB_HUMAN inhibitor 12746257; 15681398; 12396248; 11882592; 15198480 "Lebowitz J, An B, Edinger RS, Zeidel ML, Johnson JP: Effect of altered Na+ entry on expression of apical and basolateral transport proteins in A6 epithelia. Am J Physiol Renal Physiol. 2003 Sep;285(3):F524-31. Epub 2003 May 13.@@Planes C, Leyvraz C, Uchida T, Angelova MA, Vuagniaux G, Hummler E, Matthay M, Clerici C, Rossier B: In vitro and in vivo regulation of transepithelial lung alveolar sodium transport by serine proteases. Am J Physiol Lung Cell Mol Physiol. 2005 Jun;288(6):L1099-109. Epub 2005 Jan 28.@@Yamagata T, Yamagata Y, Nishimoto T, Nakanishi M, Nakanishi H, Minakata Y, Mune M, Yukawa S: The impact of phorbol ester on the regulation of amiloride-sensitive epithelial sodium channel in alveolar type ii epithelial cells. Exp Lung Res. 2002 Oct-Nov;28(7):543-62.@@Brooks HL, Allred AJ, Beutler KT, Coffman TM, Knepper MA: Targeted proteomic profiling of renal Na(+) transporter and channel abundances in angiotensin II type 1a receptor knockout mice. Hypertension. 2002 Feb;39(2 Pt 2):470-3.@@Kamide K, Tanaka C, Takiuchi S, Miwa Y, Yoshii M, Horio T, Kawano Y, Miyata T: Six missense mutations of the epithelial sodium channel beta and gamma subunits in Japanese hypertensives. Hypertens Res. 2004 May;27(5):333-8." Approved Aminopyrazines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines Hypotensive Agents; Natriuretic Agents; Cardiovascular Agents; Sodium Channel Blockers; OCT2 Inhibitors; Potassium-Sparing Diuretics; Agents causing hyperkalemia; Diuretics; Increased Diuresis; Epithelial Sodium Channel Blockers; Membrane Transport Modulators; Acid Sensing Ion Channel Blockers; Pyrazines; Decreased Renal K+ Excretion NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N Amiloride Action Pathway drug_action 20230 46508156 D07447 PA448368 DAP000187 Amiloride CHEMBL945 644 DB00594 Amiloride BE0000678 ASIC2 Q16515 ASIC2_HUMAN inhibitor 12584187; 12736332; 14686475; 15537887; 16704974 "Berdiev BK, Xia J, McLean LA, Markert JM, Gillespie GY, Mapstone TB, Naren AP, Jovov B, Bubien JK, Ji HL, Fuller CM, Kirk KL, Benos DJ: Acid-sensing ion channels in malignant gliomas. J Biol Chem. 2003 Apr 25;278(17):15023-34. Epub 2003 Feb 12.@@Ugawa S, Yamamoto T, Ueda T, Ishida Y, Inagaki A, Nishigaki M, Shimada S: Amiloride-insensitive currents of the acid-sensing ion channel-2a (ASIC2a)/ASIC2b heteromeric sour-taste receptor channel. J Neurosci. 2003 May 1;23(9):3616-22.@@Ugawa S: Identification of sour-taste receptor genes. Anat Sci Int. 2003 Dec;78(4):205-10.@@Peng BG, Ahmad S, Chen S, Chen P, Price MP, Lin X: Acid-sensing ion channel 2 contributes a major component to acid-evoked excitatory responses in spiral ganglion neurons and plays a role in noise susceptibility of mice. J Neurosci. 2004 Nov 10;24(45):10167-75.@@Vila-Carriles WH, Kovacs GG, Jovov B, Zhou ZH, Pahwa AK, Colby G, Esimai O, Gillespie GY, Mapstone TB, Markert JM, Fuller CM, Bubien JK, Benos DJ: Surface expression of ASIC2 inhibits the amiloride-sensitive current and migration of glioma cells. J Biol Chem. 2006 Jul 14;281(28):19220-32. Epub 2006 May 16." Approved Aminopyrazines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines Hypotensive Agents; Natriuretic Agents; Cardiovascular Agents; Sodium Channel Blockers; OCT2 Inhibitors; Potassium-Sparing Diuretics; Agents causing hyperkalemia; Diuretics; Increased Diuresis; Epithelial Sodium Channel Blockers; Membrane Transport Modulators; Acid Sensing Ion Channel Blockers; Pyrazines; Decreased Renal K+ Excretion NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N Amiloride Action Pathway drug_action 20230 46508156 D07447 PA448368 DAP000187 Amiloride CHEMBL945 644 DB00594 Amiloride BE0000353 ASIC1 P78348 ASIC1_HUMAN inhibitor 12401318; 15574747; 15758172; 16319075; 16685601 "Petruska JC, Napaporn J, Johnson RD, Cooper BY: Chemical responsiveness and histochemical phenotype of electrophysiologically classified cells of the adult rat dorsal root ganglion. Neuroscience. 2002;115(1):15-30.@@Jones NG, Slater R, Cadiou H, McNaughton P, McMahon SB: Acid-induced pain and its modulation in humans. J Neurosci. 2004 Dec 1;24(48):10974-9.@@Sugiura T, Dang K, Lamb K, Bielefeldt K, Gebhart GF: Acid-sensing properties in rat gastric sensory neurons from normal and ulcerated stomach. J Neurosci. 2005 Mar 9;25(10):2617-27.@@Wang W, Duan B, Xu H, Xu L, Xu TL: Calcium-permeable acid-sensing ion channel is a molecular target of the neurotoxic metal ion lead. J Biol Chem. 2006 Feb 3;281(5):2497-505. Epub 2005 Nov 29.@@Xiong ZG, Chu XP, Simon RP: Ca2+ -permeable acid-sensing ion channels and ischemic brain injury. J Membr Biol. 2006 Jan;209(1):59-68. Epub 2006 Apr 17." Approved Aminopyrazines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines Hypotensive Agents; Natriuretic Agents; Cardiovascular Agents; Sodium Channel Blockers; OCT2 Inhibitors; Potassium-Sparing Diuretics; Agents causing hyperkalemia; Diuretics; Increased Diuresis; Epithelial Sodium Channel Blockers; Membrane Transport Modulators; Acid Sensing Ion Channel Blockers; Pyrazines; Decreased Renal K+ Excretion NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N Amiloride Action Pathway drug_action 20230 46508156 D07447 PA448368 DAP000187 Amiloride CHEMBL945 644 DB00594 Amiloride BE0000752 SLC9A1 P19634 SL9A1_HUMAN inhibitor 10841524; 11604219; 11688549; 12872009; 12881227 "Lee MG, Ahn W, Choi JY, Luo X, Seo JT, Schultheis PJ, Shull GE, Kim KH, Muallem S: Na(+)-dependent transporters mediate HCO(3)(-) salvage across the luminal membrane of the main pancreatic duct. J Clin Invest. 2000 Jun;105(11):1651-8.@@Konstantinou-Tegou A, Kaloyianni M, Bourikas D, Koliakos G: The effect of leptin on Na(+)-H(+) antiport (NHE 1) activity of obese and normal subjects erythrocytes. Mol Cell Endocrinol. 2001 Oct 25;183(1-2):11-8.@@Serrani RE, Mujica G, Gioia IA, Corchs JL: Neonatal red blood cells: amiloride-insensitive Na+-H+ transport isoform would express Na+-Li+ exchange. Acta Physiol Pharmacol Bulg. 2000;25(3-4):71-4.@@Cuthbert AW, Supuran CT, MacVinish LJ: Bicarbonate-dependent chloride secretion in Calu-3 epithelia in response to 7,8-benzoquinoline. J Physiol. 2003 Aug 15;551(Pt 1):79-92. Epub 2003 Jul 18.@@Furukawa O, Bi LC, Guth PH, Engel E, Hirokawa M, Kaunitz JD: NHE3 inhibition activates duodenal bicarbonate secretion in the rat. Am J Physiol Gastrointest Liver Physiol. 2004 Jan;286(1):G102-9. Epub 2003 Jul 24." Approved Aminopyrazines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines Hypotensive Agents; Natriuretic Agents; Cardiovascular Agents; Sodium Channel Blockers; OCT2 Inhibitors; Potassium-Sparing Diuretics; Agents causing hyperkalemia; Diuretics; Increased Diuresis; Epithelial Sodium Channel Blockers; Membrane Transport Modulators; Acid Sensing Ion Channel Blockers; Pyrazines; Decreased Renal K+ Excretion NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N Amiloride Action Pathway drug_action 20230 46508156 D07447 PA448368 DAP000187 Amiloride CHEMBL945 644 DB00596 Ulobetasol BE0000794 NR3C1 P04150 GCR_HUMAN agonist 19293512; 9891987 "Mohandas S, Rai R, Srinivas CR: Halobetasol versus clobetasol: a study of potency. Indian J Dermatol Venereol Leprol. 2009 Mar-Apr;75(2):186-7.@@Hofmann TG, Hehner SP, Bacher S, Droge W, Schmitz ML: Various glucocorticoids differ in their ability to induce gene expression, apoptosis and to repress NF-kappaB-dependent transcription. FEBS Lett. 1998 Dec 28;441(3):441-6." Approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Antipsoriatics for Topical Use; Anti-Inflammatory Agents; Corticosteroids, Dermatological Preparations; Dermatologicals; Antipsoriatics; Cardiovascular Agents; Vasoconstrictor Agents; Steroids; Pregnadienetriols; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Corticosteroids, Potent (Group III); Immunosuppressive Agents; Corticosteroids; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes" [H][C@@]12C[C@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C 7555 46506187 PA164768832 DAP001186 Ulobetasol CHEMBL1201360 41208 DB00598 Labetalol BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist 2696507; 10529655; 6355664; 17686376; 1358746; 8104240; 7684671 "Bernstein JS, Ebert TJ, Stowe DF, Schmeling WT, Nelson MA, Woods MP: Partial attenuation of hemodynamic responses to rapid sequence induction and intubation with labetalol. J Clin Anesth. 1989;1(6):444-51.@@Nakamura T, Maruyama K, Ohnuki T, Hattori K, Watanabe K, Nagatomo T: Tamsulosin: assessment of affinityof (3)H-P razosin binding to two alpha-1- adrenoceptor subtypes in the canine aorta. Pharmacology. 1999 Nov;59(5):234-8.@@Sassard J, Zech PY, Pozet N, Cuisinaud G, Vincent M: [Comparative effects of an alpha 1 and beta 1-2 blocker (labetalol) and a beta-1 blocker (atenolol) in the hypertensive patient]. J Pharmacol. 1983;14 Suppl 2:121-9.@@Pedersen ME, Cockcroft JR: The vasodilatory beta-blockers. Curr Hypertens Rep. 2007 Aug;9(4):269-77.@@Shiraishi K, Moriya M, Miyake N, Takayanagi I: Alpha 1-adrenoceptor blocking activities of bevantolol hydrochloride(NC-1400) and labetalol in rat isolated thoracic aorta--do they distinguish between subtypes? Gen Pharmacol. 1992 Sep;23(5):843-5.@@Rosendorff C: Beta-blocking agents with vasodilator activity. J Hypertens Suppl. 1993 Jun;11(4):S37-40.@@van Zwieten PA: An overview of the pharmacodynamic properties and therapeutic potential of combined alpha- and beta-adrenoceptor antagonists. Drugs. 1993 Apr;45(4):509-17." Approved Salicylamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Amines; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Salicylamides; Adrenergic alpha-Antagonists; Agents producing tachycardia; Amides; Autonomic Agents; Hypotensive Agents; Amino Alcohols; Alpha and Beta Blocking Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Alcohols; Drugs that are Mainly Renally Excreted; Negative Inotrope; Beta Blocking Agents and Thiazides; Cytochrome P-450 CYP2C19 Substrates; Alpha and Beta Blocking Agents and Thiazides; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Vasodilating Agents; Sympathomimetics; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); UGT1A9 Substrates; Adrenergic beta-Antagonists; UGT1A1 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Ethanolamines; Adrenergic Agents CC(CCC1=CC=CC=C1)NCC(O)C1=CC(C(N)=O)=C(O)C=C1 Labetalol Action Pathway drug_action 1896 46505511 D08106 PA164743150 DAP000038 Labetalol CHEMBL429 6185 DB00599 Thiopental BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 14579514; 10209232; 11264449; 10487207; 18619475 "Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Grasshoff C, Netzhammer N, Schweizer J, Antkowiak B, Hentschke H: Depression of spinal network activity by thiopental: shift from phasic to tonic GABA(A) receptor-mediated inhibition. Neuropharmacology. 2008 Oct;55(5):793-802. doi: 10.1016/j.neuropharm.2008.06.026. Epub 2008 Jun 21." Approved; Vet_approved Thiobarbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Anesthetics, General; Nicotinic Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Thiobarbiturates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Anesthetics, Intravenous; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Narrow Therapeutic Index Drugs; Anticonvulsants" CCCC(C)C1(CC)C(=O)NC(=S)NC1=O 8249 46504621 PA451664 DAP000661 Sodium_thiopental CHEMBL441 10493 DB00599 Thiopental BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 11264449; 10209232 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217." Approved; Vet_approved Thiobarbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Anesthetics, General; Nicotinic Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Thiobarbiturates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Anesthetics, Intravenous; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Narrow Therapeutic Index Drugs; Anticonvulsants" CCCC(C)C1(CC)C(=O)NC(=S)NC1=O 8249 46504621 PA451664 DAP000661 Sodium_thiopental CHEMBL441 10493 DB00599 Thiopental BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 11264449; 16248797; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Vet_approved Thiobarbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Anesthetics, General; Nicotinic Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Thiobarbiturates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Anesthetics, Intravenous; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Narrow Therapeutic Index Drugs; Anticonvulsants" CCCC(C)C1(CC)C(=O)NC(=S)NC1=O 8249 46504621 PA451664 DAP000661 Sodium_thiopental CHEMBL441 10493 DB00599 Thiopental BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Vet_approved Thiobarbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Anesthetics, General; Nicotinic Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Thiobarbiturates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Anesthetics, Intravenous; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Narrow Therapeutic Index Drugs; Anticonvulsants" CCCC(C)C1(CC)C(=O)NC(=S)NC1=O 8249 46504621 PA451664 DAP000661 Sodium_thiopental CHEMBL441 10493 DB00599 Thiopental BE0000826 GRIK2 Q13002 GRIK2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Vet_approved Thiobarbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Anesthetics, General; Nicotinic Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Thiobarbiturates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Anesthetics, Intravenous; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Narrow Therapeutic Index Drugs; Anticonvulsants" CCCC(C)C1(CC)C(=O)NC(=S)NC1=O 8249 46504621 PA451664 DAP000661 Sodium_thiopental CHEMBL441 10493 DB00599 Thiopental BE0002194 FAAH O00519 FAAH1_HUMAN inhibitor 12839875; 11752352 "Patel S, Wohlfeil ER, Rademacher DJ, Carrier EJ, Perry LJ, Kundu A, Falck JR, Nithipatikom K, Campbell WB, Hillard CJ: The general anesthetic propofol increases brain N-arachidonylethanolamine (anandamide) content and inhibits fatty acid amide hydrolase. Br J Pharmacol. 2003 Jul;139(5):1005-13.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Vet_approved Thiobarbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Anesthetics, General; Nicotinic Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Thiobarbiturates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Anesthetics, Intravenous; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Narrow Therapeutic Index Drugs; Anticonvulsants" CCCC(C)C1(CC)C(=O)NC(=S)NC1=O 8249 46504621 PA451664 DAP000661 Sodium_thiopental CHEMBL441 10493 DB00599 Thiopental BE0000045 CHRM3 P20309 ACM3_HUMAN 12456425 "Hirota K, Hashimoto Y, Lambert DG: Interaction of intravenous anesthetics with recombinant human M1-M3 muscarinic receptors expressed in chinese hamster ovary cells. Anesth Analg. 2002 Dec;95(6):1607-10, table of contents." Approved; Vet_approved Thiobarbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Anesthetics, General; Nicotinic Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Thiobarbiturates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Anesthetics, Intravenous; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Narrow Therapeutic Index Drugs; Anticonvulsants" CCCC(C)C1(CC)C(=O)NC(=S)NC1=O 8249 46504621 PA451664 DAP000661 Sodium_thiopental CHEMBL441 10493 DB00603 Medroxyprogesterone acetate BE0000557 PGR P06401 PRGR_HUMAN agonist 16985038; 17013809; 17015480; 17109827; 17138644; 11752352 "Risch HA, Bale AE, Beck PA, Zheng W: PGR +331 A/G and increased risk of epithelial ovarian cancer. Cancer Epidemiol Biomarkers Prev. 2006 Sep;15(9):1738-41.@@Madauss KP, Stewart EL, Williams SP: The evolution of progesterone receptor ligands. Med Res Rev. 2007 May;27(3):374-400.@@Gizard F, Robillard R, Gross B, Barbier O, Revillion F, Peyrat JP, Torpier G, Hum DW, Staels B: TReP-132 is a novel progesterone receptor coactivator required for the inhibition of breast cancer cell growth and enhancement of differentiation by progesterone. Mol Cell Biol. 2006 Oct;26(20):7632-44.@@Wu HB, Fabian S, Jenab S, Quinones-Jenab V: Progesterone receptors activation after acute cocaine administration. Brain Res. 2006 Dec 18;1126(1):188-92. Epub 2006 Nov 15.@@Boonyaratanakornkit V, McGowan E, Sherman L, Mancini MA, Cheskis BJ, Edwards DP: The role of extranuclear signaling actions of progesterone receptor in mediating progesterone regulation of gene expression and the cell cycle. Mol Endocrinol. 2007 Feb;21(2):359-75. Epub 2006 Nov 30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Progesterone Congeners; Pregnenes; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; Cytochrome P-450 Enzyme Inducers; Hydroxyprogesterones; Progesterone and Derivatives; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pregnen (4) Derivatives; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Antineoplastic and Immunomodulating Agents; Contraceptives, Oral; Corpus Luteum Hormones; Endocrine Therapy; Gonadal Steroid Hormones; Pregnenediones; Hormones and Related Agents; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C 7538 46508895 D00951 PA450344 DAP001211 Medroxyprogesterone CHEMBL717 1000112 DB00603 Medroxyprogesterone acetate BE0000123 ESR1 P03372 ESR1_HUMAN agonist 17094978; 17103262; 17118173; 17203775; 17415709 "Jain JK, Li A, Yang W, Minoo P, Felix JC: Mifepristone alters expression of endometrial steroid receptors and their cofactors in new users of medroxyprogesterone acetate. Fertil Steril. 2007 Jan;87(1):8-23. Epub 2006 Nov 7.@@Kumar AS, Cureton E, Shim V, Sakata T, Moore DH, Benz CC, Esserman LJ, Hwang ES: Type and duration of exogenous hormone use affects breast cancer histology. Ann Surg Oncol. 2007 Feb;14(2):695-703. Epub 2006 Nov 14.@@Lessey BA, Palomino WA, Apparao KB, Young SL, Lininger RA: Estrogen receptor-alpha (ER-alpha) and defects in uterine receptivity in women. Reprod Biol Endocrinol. 2006;4 Suppl 1:S9.@@Yuri T, Tsukamoto R, Uehara N, Matsuoka Y, Tsubura A: Effects of different durations of estrogen and progesterone treatment on development of N-methyl-N-nitrosourea-induced mammary carcinomas in female Lewis rats. In Vivo. 2006 Nov-Dec;20(6B):829-36.@@Ghebeh H, Tulbah A, Mohammed S, Elkum N, Bin Amer SM, Al-Tweigeri T, Dermime S: Expression of B7-H1 in breast cancer patients is strongly associated with high proliferative Ki-67-expressing tumor cells. Int J Cancer. 2007 Aug 15;121(4):751-8." Approved; Investigational "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Progesterone Congeners; Pregnenes; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; Cytochrome P-450 Enzyme Inducers; Hydroxyprogesterones; Progesterone and Derivatives; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pregnen (4) Derivatives; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Antineoplastic and Immunomodulating Agents; Contraceptives, Oral; Corpus Luteum Hormones; Endocrine Therapy; Gonadal Steroid Hormones; Pregnenediones; Hormones and Related Agents; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C 7538 46508895 D00951 PA450344 DAP001211 Medroxyprogesterone CHEMBL717 1000112 DB00603 Medroxyprogesterone acetate BE0001032 ABCB1 P08183 MDR1_HUMAN inhibitor 11600316 "Altinoz MA, Bilir A, Ozar E, Onar FD, Sav A: Medroxyprogesterone acetate alone or synergistic with chemotherapy suppresses colony formation and DNA synthesis in C6 glioma in vitro. Int J Dev Neurosci. 2001 Oct;19(6):541-7. doi: 10.1016/s0736-5748(01)00045-4." Approved; Investigational "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Progesterone Congeners; Pregnenes; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; Cytochrome P-450 Enzyme Inducers; Hydroxyprogesterones; Progesterone and Derivatives; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pregnen (4) Derivatives; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Antineoplastic and Immunomodulating Agents; Contraceptives, Oral; Corpus Luteum Hormones; Endocrine Therapy; Gonadal Steroid Hormones; Pregnenediones; Hormones and Related Agents; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C 7538 46508895 D00951 PA450344 DAP001211 Medroxyprogesterone CHEMBL717 1000112 DB00604 Cisapride BE0000084 HTR4 Q13639 5HT4R_HUMAN agonist 10027842; 10328995; 10556228; 11034583; 11218067; 11752352 "Crema F, Modini C, Croci T, Langlois M, de Ponti F: Intestinal prokinesia by two esters of 4-amino-5-chloro-2- methoxybenzoic acid: involvement of 5-hydroxytryptamine-4 receptors and dissociation from cardiac effects in vivo. J Pharmacol Exp Ther. 1999 Mar;288(3):1045-52.@@Nagakura Y, Akuzawa S, Miyata K, Kamato T, Suzuki T, Ito H, Yamaguchi T: Pharmacological properties of a novel gastrointestinal prokinetic benzamide selective for human 5-HT4 receptor versus human 5-HT3 receptor. Pharmacol Res. 1999 May;39(5):375-82.@@Rahme MM, Cotter B, Leistad E, Wadhwa MK, Mohabir R, Ford AP, Eglen RM, Feld GK: Electrophysiological and antiarrhythmic effects of the atrial selective 5-HT(4) receptor antagonist RS-100302 in experimental atrial flutter and fibrillation. Circulation. 1999 Nov 9;100(19):2010-7.@@Bharucha AE, Camilleri M, Haydock S, Ferber I, Burton D, Cooper S, Tompson D, Fitzpatrick K, Higgins R, Zinsmeister AR: Effects of a serotonin 5-HT(4) receptor antagonist SB-207266 on gastrointestinal motor and sensory function in humans. Gut. 2000 Nov;47(5):667-74.@@Bach T, Syversveen T, Kvingedal AM, Krobert KA, Brattelid T, Kaumann AJ, Levy FO: 5HT4(a) and 5-HT4(b) receptors have nearly identical pharmacology and are both expressed in human atrium and ventricle. Naunyn Schmiedebergs Arch Pharmacol. 2001 Feb;363(2):146-60.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Withdrawn Aminobenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Amides; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Anti-Ulcer Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Benzamides and benzamide derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Aminobenzoates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2A6 Substrates; Acids, Carbocyclic; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Propulsives; para-Aminobenzoates; Chlorobenzoates; Piperidines; Serotonin Agents; Drugs for Functional Gastrointestinal Disorders; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C19 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CO[C@H]1CN(CCCOC2=CC=C(F)C=C2)CC[C@H]1NC(=O)C1=CC(Cl)=C(N)C=C1OC 11322 46504980 D00274 PA449011 DAP000222 Cisapride CHEMBL560739 35255 DB00605 Sulindac BE0001007 PPARD Q03181 PPARD_HUMAN negative modulator 10555149; 14506281; 16091736; 16418176; 17409426 "He TC, Chan TA, Vogelstein B, Kinzler KW: PPARdelta is an APC-regulated target of nonsteroidal anti-inflammatory drugs. Cell. 1999 Oct 29;99(3):335-45.@@Babbar N, Ignatenko NA, Casero RA Jr, Gerner EW: Cyclooxygenase-independent induction of apoptosis by sulindac sulfone is mediated by polyamines in colon cancer. J Biol Chem. 2003 Nov 28;278(48):47762-75. Epub 2003 Sep 23.@@Jarvis MC, Gray TJ, Palmer CN: Both PPARgamma and PPARdelta influence sulindac sulfide-mediated p21WAF1/CIP1 upregulation in a human prostate epithelial cell line. Oncogene. 2005 Dec 8;24(55):8211-5.@@Kim DJ, Prabhu KS, Gonzalez FJ, Peters JM: Inhibition of chemically induced skin carcinogenesis by sulindac is independent of peroxisome proliferator-activated receptor-beta/delta (PPARbeta/delta). Carcinogenesis. 2006 May;27(5):1105-12. Epub 2006 Jan 16.@@Liou JY, Ghelani D, Yeh S, Wu KK: Nonsteroidal anti-inflammatory drugs induce colorectal cancer cell apoptosis by suppressing 14-3-3epsilon. Cancer Res. 2007 Apr 1;67(7):3185-91." Approved; Investigational Indenes and isoindenes Organic compounds; Benzenoids; Indenes and isoindenes "Non COX-2 selective NSAIDS; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; Acetic Acid Derivatives and Related Substances; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Photosensitizing Agents; Indenes; Musculo-Skeletal System; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Cyclooxygenase Inhibitors; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Antirheumatic Agents" CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)=O Sulindac Action Pathway drug_action 2126 46506570 D00120 PA451565 DAP000569 Sulindac CHEMBL15770 10237 DB00606 Cyclothiazide BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 8615854; 11752352 "Liljequist S, Cebers G, Kalda A: Effects of decahydroisoquinoline-3-carboxylic acid monohydrate, a novel AMPA receptor antagonist, on glutamate-induced CA2+ responses and neurotoxicity in rat cortical and cerebellar granule neurons. Biochem Pharmacol. 1995 Nov 27;50(11):1761-74.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "Natriuretic Agents; Receptors, AMPA; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Sulfones; Diuretics; Antihypertensive Agents; Hyperglycemia-Associated Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Genito Urinary System and Sex Hormones; OAT1/SLC22A6 inhibitors; Sulfonamides; Thiazides" NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2 Cyclothiazide Action Pathway drug_action 46508269 D01256 PA449168 DAP000604 Cyclothiazide CHEMBL61593 22033 DB00606 Cyclothiazide BE0009094 SFRP4 Q6FHJ7 SFRP4_HUMAN inhibitor 25019556 "Bukhari SA, Shamshari WA, Ur-Rahman M, Zia-Ul-Haq M, Jaafar HZ: Computer aided screening of secreted frizzled-related protein 4 (SFRP4): a potential control for diabetes mellitus. Molecules. 2014 Jul 11;19(7):10129-36. doi: 10.3390/molecules190710129." Approved "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "Natriuretic Agents; Receptors, AMPA; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Sulfones; Diuretics; Antihypertensive Agents; Hyperglycemia-Associated Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Genito Urinary System and Sex Hormones; OAT1/SLC22A6 inhibitors; Sulfonamides; Thiazides" NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2 Cyclothiazide Action Pathway drug_action 46508269 D01256 PA449168 DAP000604 Cyclothiazide CHEMBL61593 22033 DB00608 Chloroquine BE0000982 ACE2 Q9BYF1 ACE2_HUMAN modulator 16115318 "Vincent MJ, Bergeron E, Benjannet S, Erickson BR, Rollin PE, Ksiazek TG, Seidah NG, Nichol ST: Chloroquine is a potent inhibitor of SARS coronavirus infection and spread. Virol J. 2005 Aug 22;2:69. doi: 10.1186/1743-422X-2-69." Approved; Investigational; Vet_approved 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; alpha-Galactosidase, antagonists & inhibitors; Sensory System Agents; Agents that produce neuromuscular block (indirect); QTc Prolonging Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Tumor Necrosis Factor Blockers; Antinematodal Agents; Cytochrome P-450 CYP2C8 Substrates; Amebicides; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Photosensitizing Agents; Antiprotozoals; Antimalarials; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Aminoquinolines; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Biguanides; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Antiparasitic Agents; Methemoglobinemia Associated Agents; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Filaricides; Moderate Risk QTc-Prolonging Agents; Antirheumatic Agents; Quinolines" CCN(CC)CCCC(C)NC1=CC=NC2=CC(Cl)=CC=C12 6549 46506925 D02366 PA448948 DAP001357 Chloroquine CHEMBL76 2393 DB00611 Butorphanol BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 12127012; 12470863; 15942128; 8968334; 8746803; 7705457; 17909753; 11752352 "Fan LW, Tanaka S, Tien LT, Ma T, Rockhold RW, Ho IK: Withdrawal from dependence upon butorphanol uniquely increases kappa(1)-opioid receptor binding in the rat brain. Brain Res Bull. 2002 Jun;58(2):149-60.@@Fan LW, Tanaka S, Park Y, Sasaki K, Ma T, Tien LT, Rockhold RW, Ho IK: Butorphanol dependence and withdrawal decrease hippocampal kappa 2-opioid receptor binding. Brain Res. 2002 Dec 27;958(2):277-90.@@Commiskey S, Fan LW, Ho IK, Rockhold RW: Butorphanol: effects of a prototypical agonist-antagonist analgesic on kappa-opioid receptors. J Pharmacol Sci. 2005 Jun;98(2):109-16. Epub 2005 Jun 8.@@Picker MJ, Benyas S, Horwitz JA, Thompson K, Mathewson C, Smith MA: Discriminative stimulus effects of butorphanol: influence of training dose on the substitution patterns produced by Mu, Kappa and Delta opioid agonists. J Pharmacol Exp Ther. 1996 Dec;279(3):1130-41.@@Wakabayashi H, Tokuyama S, Ho IK: Simultaneous measurement of biogenic amines and their metabolites in rat brain regions after acute administration of and abrupt withdrawal from butorphanol or morphine. Neurochem Res. 1995 Oct;20(10):1179-85.@@Narita M, Feng Y, Makimura M, Hoskins B, Ho IK: Repeated administration of opioids alters characteristics of membrane-bound phorbol ester binding in rat brain. Eur J Pharmacol. 1994 Dec 27;271(2-3):547-50.@@Walsh SL, Chausmer AE, Strain EC, Bigelow GE: Evaluation of the mu and kappa opioid actions of butorphanol in humans through differential naltrexone blockade. Psychopharmacology (Berl). 2008 Jan;196(1):143-55. Epub 2007 Oct 2.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Illicit; Vet_approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Narcotics; Morphinan Derivatives; Opiate Partial Agonists; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opioid Agonist/Antagonist; Central Nervous System Depressants; Alkaloids; Antitussive Agents; Heterocyclic Compounds, Fused-Ring; Respiratory System Agents; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; Mixed Agonist / Antagonist Opioids; Nervous System; Opiate Alkaloids; Opioids" [H][C@@]12CC3=C(C=C(O)C=C3)[C@]3(CCCC[C@@]13O)CCN2CC1CCC1 2142 46507553 D00837 PA164745398 DAP000214 Butorphanol CHEMBL33986 1841 DB00611 Butorphanol BE0000770 OPRM1 P35372 OPRM_HUMAN antagonist 10381785; 12127012; 12470863; 15942128; 8968334; 8746803; 9399970; 7705457; 17909753 "Vivian JA, DeYoung MB, Sumpter TL, Traynor JR, Lewis JW, Woods JH: kappa-Opioid receptor effects of butorphanol in rhesus monkeys. J Pharmacol Exp Ther. 1999 Jul;290(1):259-65.@@Fan LW, Tanaka S, Tien LT, Ma T, Rockhold RW, Ho IK: Withdrawal from dependence upon butorphanol uniquely increases kappa(1)-opioid receptor binding in the rat brain. Brain Res Bull. 2002 Jun;58(2):149-60.@@Fan LW, Tanaka S, Park Y, Sasaki K, Ma T, Tien LT, Rockhold RW, Ho IK: Butorphanol dependence and withdrawal decrease hippocampal kappa 2-opioid receptor binding. Brain Res. 2002 Dec 27;958(2):277-90.@@Commiskey S, Fan LW, Ho IK, Rockhold RW: Butorphanol: effects of a prototypical agonist-antagonist analgesic on kappa-opioid receptors. J Pharmacol Sci. 2005 Jun;98(2):109-16. Epub 2005 Jun 8.@@Picker MJ, Benyas S, Horwitz JA, Thompson K, Mathewson C, Smith MA: Discriminative stimulus effects of butorphanol: influence of training dose on the substitution patterns produced by Mu, Kappa and Delta opioid agonists. J Pharmacol Exp Ther. 1996 Dec;279(3):1130-41.@@Wakabayashi H, Tokuyama S, Ho IK: Simultaneous measurement of biogenic amines and their metabolites in rat brain regions after acute administration of and abrupt withdrawal from butorphanol or morphine. Neurochem Res. 1995 Oct;20(10):1179-85.@@Picker MJ: Discriminative stimulus effects of the mixed-opioid agonist/antagonist dezocine: cross-substitution by mu and delta opioid agonists. J Pharmacol Exp Ther. 1997 Dec;283(3):1009-17.@@Narita M, Feng Y, Makimura M, Hoskins B, Ho IK: Repeated administration of opioids alters characteristics of membrane-bound phorbol ester binding in rat brain. Eur J Pharmacol. 1994 Dec 27;271(2-3):547-50.@@Walsh SL, Chausmer AE, Strain EC, Bigelow GE: Evaluation of the mu and kappa opioid actions of butorphanol in humans through differential naltrexone blockade. Psychopharmacology (Berl). 2008 Jan;196(1):143-55. Epub 2007 Oct 2." Approved; Illicit; Vet_approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Narcotics; Morphinan Derivatives; Opiate Partial Agonists; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opioid Agonist/Antagonist; Central Nervous System Depressants; Alkaloids; Antitussive Agents; Heterocyclic Compounds, Fused-Ring; Respiratory System Agents; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; Mixed Agonist / Antagonist Opioids; Nervous System; Opiate Alkaloids; Opioids" [H][C@@]12CC3=C(C=C(O)C=C3)[C@]3(CCCC[C@@]13O)CCN2CC1CCC1 2142 46507553 D00837 PA164745398 DAP000214 Butorphanol CHEMBL33986 1841 DB00615 Rifabutin BE0001120 HSP90AA1 P07900 HS90A_HUMAN other/unknown 10701840; 10759403; 10919672; 11306472; 11358819 "Schnaider T, Somogyi J, Csermely P, Szamel M: The Hsp90-specific inhibitor geldanamycin selectively disrupts kinase-mediated signaling events of T-lymphocyte activation. Cell Stress Chaperones. 2000 Jan;5(1):52-61.@@Neckers L, Schulte TW, Mimnaugh E: Geldanamycin as a potential anti-cancer agent: its molecular target and biochemical activity. Invest New Drugs. 1999;17(4):361-73.@@Srethapakdi M, Liu F, Tavorath R, Rosen N: Inhibition of Hsp90 function by ansamycins causes retinoblastoma gene product-dependent G1 arrest. Cancer Res. 2000 Jul 15;60(14):3940-6.@@Munster PN, Srethapakdi M, Moasser MM, Rosen N: Inhibition of heat shock protein 90 function by ansamycins causes the morphological and functional differentiation of breast cancer cells. Cancer Res. 2001 Apr 1;61(7):2945-52.@@Yang J, Yang JM, Iannone M, Shih WJ, Lin Y, Hait WN: Disruption of the EF-2 kinase/Hsp90 protein complex: a possible mechanism to inhibit glioblastoma by geldanamycin. Cancer Res. 2001 May 15;61(10):4010-6." Approved; Investigational Macrolactams Organic compounds; Phenylpropanoids and polyketides; Macrolactams "Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; Drugs for Acid Related Disorders; Lactams, Macrocyclic; P-glycoprotein inducers; Antiinfectives for Systemic Use; Cytochrome P-450 Enzyme Inducers; Drugs for Treatment of Tuberculosis; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C8 Inducers; Rifamycins; Cytochrome P-450 CYP2C8 Inducers (weak); Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C19 Inducers (moderate); Cytochrome P-450 CYP3A4 Inducers (weak); Antimycobacterials; Cytochrome P-450 CYP2B6 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Anti-Infective Agents; Cytochrome P-450 CYP2C19 Inducers; Rifamycin Antimycobacterial; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Antibiotics, Antitubercular" CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC3(CCN(CC3)CC(C)C)N=C21 8316 46506468 D00424 PA451249 DAP000656 Rifabutin CHEMBL444633 55672 DB00615 Rifabutin BE0001165 HSP90B1 P14625 ENPL_HUMAN other/unknown 14660597; 8617772; 9428803 "Barzilay E, Ben-Califa N, Supino-Rosin L, Kashman Y, Hirschberg K, Elazar Z, Neumann D: Geldanamycin-associated inhibition of intracellular trafficking is attributed to a co-purified activity. J Biol Chem. 2004 Feb 20;279(8):6847-52. Epub 2003 Dec 1.@@Chavany C, Mimnaugh E, Miller P, Bitton R, Nguyen P, Trepel J, Whitesell L, Schnur R, Moyer J, Neckers L: p185erbB2 binds to GRP94 in vivo. Dissociation of the p185erbB2/GRP94 heterocomplex by benzoquinone ansamycins precedes depletion of p185erbB2. J Biol Chem. 1996 Mar 1;271(9):4974-7.@@Lawson B, Brewer JW, Hendershot LM: Geldanamycin, an hsp90/GRP94-binding drug, induces increased transcription of endoplasmic reticulum (ER) chaperones via the ER stress pathway. J Cell Physiol. 1998 Feb;174(2):170-8." Approved; Investigational Macrolactams Organic compounds; Phenylpropanoids and polyketides; Macrolactams "Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; Drugs for Acid Related Disorders; Lactams, Macrocyclic; P-glycoprotein inducers; Antiinfectives for Systemic Use; Cytochrome P-450 Enzyme Inducers; Drugs for Treatment of Tuberculosis; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C8 Inducers; Rifamycins; Cytochrome P-450 CYP2C8 Inducers (weak); Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C19 Inducers (moderate); Cytochrome P-450 CYP3A4 Inducers (weak); Antimycobacterials; Cytochrome P-450 CYP2B6 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Anti-Infective Agents; Cytochrome P-450 CYP2C19 Inducers; Rifamycin Antimycobacterial; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Antibiotics, Antitubercular" CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC3(CCN(CC3)CC(C)C)N=C21 8316 46506468 D00424 PA451249 DAP000656 Rifabutin CHEMBL444633 55672 DB00616 Candoxatril BE0000266 MME P08473 NEP_HUMAN inhibitor 1315825; 1386491; 16025254; 16449355; 7511759; 11752352 "O'Connell JE, Jardine AG, Davidson G, Connell JM: Candoxatril, an orally active neutral endopeptidase inhibitor, raises plasma atrial natriuretic factor and is natriuretic in essential hypertension. J Hypertens. 1992 Mar;10(3):271-7.@@Elsner D, Muntze A, Kromer EP, Riegger GA: Effectiveness of endopeptidase inhibition (candoxatril) in congestive heart failure. Am J Cardiol. 1992 Aug 15;70(4):494-8.@@Plamboeck A, Holst JJ, Carr RD, Deacon CF: Neutral endopeptidase 24.11 and dipeptidyl peptidase IV are both mediators of the degradation of glucagon-like peptide 1 in the anaesthetised pig. Diabetologia. 2005 Sep;48(9):1882-90. Epub 2005 Jul 16.@@Sansoe G, Aragno M, Mastrocola R, Cutrin JC, Silvano S, Mengozzi G, Smedile A, Rosina F, Danni O, Rizzetto M: Overexpression of kidney neutral endopeptidase (EC 3.4.24.11) and renal function in experimental cirrhosis. Am J Physiol Renal Physiol. 2006 Jun;290(6):F1337-43. Epub 2006 Jan 31.@@Hirata Y, Suzuki E, Hayakawa H, Matsuoka H, Sugimoto T, Kangawa K, Matsuo H: Mechanisms of the natriuretic effects of neutral endopeptidase inhibition in Dahl salt-sensitive and salt-resistant rats. J Cardiovasc Pharmacol. 1994 Feb;23(2):283-90.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Indanes Organic compounds; Benzenoids; Indanes "Fatty Acids, Volatile; Protease Inhibitors; Cardiovascular Agents; Enzyme Inhibitors; Antihypertensive Agents; Lipids; Indenes; Neprilysin, antagonists & inhibitors; Prodrugs; Acids, Acyclic; Fatty Acids" COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1 46509011 D01070 PA164764517 DAP001145 Candoxatril CHEMBL35084 DB00617 Paramethadione BE0000012 CACNA1I Q9P0X4 CAC1I_HUMAN inhibitor 28963561 "Gaspar HA, Breen G: Drug enrichment and discovery from schizophrenia genome-wide association results: an analysis and visualisation approach. Sci Rep. 2017 Sep 29;7(1):12460. doi: 10.1038/s41598-017-12325-3." Approved Oxazolidinediones Organic compounds; Organoheterocyclic compounds; Azolidines; Oxazolidines Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2C9 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Oxazolidine Derivatives; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Anticonvulsants; Cytochrome P-450 CYP2C8 Substrates CCC1(C)OC(=O)N(C)C1=O 46509173 D00495 PA164748880 DAP001266 Paramethadione CHEMBL1100 32894 DB00619 Imatinib BE0004743 BCR P11274 BCR_HUMAN inhibitor 15206509; 20072827; 12600228; 23226582 "Nadal E, Olavarria E: Imatinib mesylate (Gleevec/Glivec) a molecular-targeted therapy for chronic myeloid leukaemia and other malignancies. Int J Clin Pract. 2004 May;58(5):511-6.@@Waller CF: Imatinib mesylate. Recent Results Cancer Res. 2010;184:3-20. doi: 10.1007/978-3-642-01222-8_1.@@Croom KF, Perry CM: Imatinib mesylate: in the treatment of gastrointestinal stromal tumours. Drugs. 2003;63(5):513-22; discussion 523-4.@@Reddy EP, Aggarwal AK: The ins and outs of bcr-abl inhibition. Genes Cancer. 2012 May;3(5-6):447-54. doi: 10.1177/1947601912462126." Approved Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Myelosuppressive Agents; Cancer immunotherapy; OCT2 Inhibitors; Enzyme Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; UGT2B17 Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; OCT1 substrates; Immunotherapy; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Benzamides and benzamide derivatives; Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; UDP Glucuronosyltransferases Inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Highest Risk QTc-Prolonging Agents; Pyrimidines; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1 Imatinib Inhibition of BCR-ABL drug_action 12429 46505055 D01441 PA10804 DNC001383 Imatinib CHEMBL941 282388 DB00619 Imatinib BE0000453 KIT P10721 KIT_HUMAN antagonist 16865565; 16087693; 17458563; 17369583; 17559139 "Lee JL, Kim JY, Ryu MH, Kang HJ, Chang HM, Kim TW, Lee H, Park JH, Kim HC, Kim JS, Kang YK: Response to imatinib in KIT- and PDGFRA-wild type gastrointestinal stromal associated with neurofibromatosis type 1. Dig Dis Sci. 2006 Jun;51(6):1043-6.@@Dy GK, Miller AA, Mandrekar SJ, Aubry MC, Langdon RM Jr, Morton RF, Schild SE, Jett JR, Adjei AA: A phase II trial of imatinib (ST1571) in patients with c-kit expressing relapsed small-cell lung cancer: a CALGB and NCCTG study. Ann Oncol. 2005 Nov;16(11):1811-6. Epub 2005 Aug 8.@@Rutkowski P, Nowecki ZI, Debiec-Rychter M, Grzesiakowska U, Michej W, Wozniak A, Siedlecki JA, Limon J, vel Dobosz AJ, Kakol M, Osuch C, Ruka W: Predictive factors for long-term effects of imatinib therapy in patients with inoperable/metastatic CD117(+) gastrointestinal stromal tumors (GISTs). J Cancer Res Clin Oncol. 2007 Sep;133(9):589-97. Epub 2007 Apr 26.@@De Giorgi U: KIT mutations and imatinib dose effects in patients with gastrointestinal stromal tumors. J Clin Oncol. 2007 Mar 20;25(9):1146-7; author reply 1147-8.@@Posadas EM, Kwitkowski V, Kotz HL, Espina V, Minasian L, Tchabo N, Premkumar A, Hussain MM, Chang R, Steinberg SM, Kohn EC: A prospective analysis of imatinib-induced c-KIT modulation in ovarian cancer: a phase II clinical study with proteomic profiling. Cancer. 2007 Jul 15;110(2):309-17." Approved Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Myelosuppressive Agents; Cancer immunotherapy; OCT2 Inhibitors; Enzyme Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; UGT2B17 Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; OCT1 substrates; Immunotherapy; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Benzamides and benzamide derivatives; Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; UDP Glucuronosyltransferases Inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Highest Risk QTc-Prolonging Agents; Pyrimidines; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1 Imatinib Inhibition of BCR-ABL drug_action 12429 46505055 D01441 PA10804 DNC001383 Imatinib CHEMBL941 282388 DB00619 Imatinib BE0002411 RET P07949 RET_HUMAN inhibitor 16782438 "de Groot JW, Plaza Menacho I, Schepers H, Drenth-Diephuis LJ, Osinga J, Plukker JT, Links TP, Eggen BJ, Hofstra RM: Cellular effects of imatinib on medullary thyroid cancer cells harboring multiple endocrine neoplasia Type 2A and 2B associated RET mutations. Surgery. 2006 Jun;139(6):806-14." Approved Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Myelosuppressive Agents; Cancer immunotherapy; OCT2 Inhibitors; Enzyme Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; UGT2B17 Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; OCT1 substrates; Immunotherapy; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Benzamides and benzamide derivatives; Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; UDP Glucuronosyltransferases Inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Highest Risk QTc-Prolonging Agents; Pyrimidines; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1 Imatinib Inhibition of BCR-ABL drug_action 12429 46505055 D01441 PA10804 DNC001383 Imatinib CHEMBL941 282388 DB00619 Imatinib BE0001039 NTRK1 P04629 NTRK1_HUMAN antagonist 15832750; 16052979; 16782438; 17579194; 17582306 "Catani M, De Milito R, Simi M: [New orientations in the management of advanced, metastatic gastrointestinal stromal tumors (GIST): combination of surgery and systemic therapy with imatinib in a case of primary gastric location]. Chir Ital. 2005 Jan-Feb;57(1):127-33.@@Kovacs M, Nagy P, Pak G, Feher J: [Gastrointestinal stromal tumors (GISTs): clinical and pathological features]. Orv Hetil. 2005 Jun 26;146(26):1375-81.@@de Groot JW, Plaza Menacho I, Schepers H, Drenth-Diephuis LJ, Osinga J, Plukker JT, Links TP, Eggen BJ, Hofstra RM: Cellular effects of imatinib on medullary thyroid cancer cells harboring multiple endocrine neoplasia Type 2A and 2B associated RET mutations. Surgery. 2006 Jun;139(6):806-14.@@de Groot JW, Zonnenberg BA, van Ufford-Mannesse PQ, de Vries MM, Links TP, Lips CJ, Voest EE: A phase II trial of imatinib therapy for metastatic medullary thyroid carcinoma. J Clin Endocrinol Metab. 2007 Sep;92(9):3466-9. Epub 2007 Jun 19.@@Delbaldo C: [Pharmacokinetic-pharmacodynamics relationships of imatinib (Glivec)]. Therapie. 2007 Mar-Apr;62(2):87-90. Epub 2007 Jun 21." Approved Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Myelosuppressive Agents; Cancer immunotherapy; OCT2 Inhibitors; Enzyme Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; UGT2B17 Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; OCT1 substrates; Immunotherapy; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Benzamides and benzamide derivatives; Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; UDP Glucuronosyltransferases Inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Highest Risk QTc-Prolonging Agents; Pyrimidines; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1 Imatinib Inhibition of BCR-ABL drug_action 12429 46505055 D01441 PA10804 DNC001383 Imatinib CHEMBL941 282388 DB00619 Imatinib BE0001124 DDR1 Q08345 DDR1_HUMAN antagonist 15972446; 15994946; 16168515; 16298518; 16401709; 18938156 "Gotlib J, Berube C, Growney JD, Chen CC, George TI, Williams C, Kajiguchi T, Ruan J, Lilleberg SL, Durocher JA, Lichy JH, Wang Y, Cohen PS, Arber DA, Heinrich MC, Neckers L, Galli SJ, Gilliland DG, Coutre SE: Activity of the tyrosine kinase inhibitor PKC412 in a patient with mast cell leukemia with the D816V KIT mutation. Blood. 2005 Oct 15;106(8):2865-70. Epub 2005 Jun 21.@@Xu L, Tong R, Cochran DM, Jain RK: Blocking platelet-derived growth factor-D/platelet-derived growth factor receptor beta signaling inhibits human renal cell carcinoma progression in an orthotopic mouse model. Cancer Res. 2005 Jul 1;65(13):5711-9.@@Neef M, Ledermann M, Saegesser H, Schneider V, Widmer N, Decosterd LA, Rochat B, Reichen J: Oral imatinib treatment reduces early fibrogenesis but does not prevent progression in the long term. J Hepatol. 2006 Jan;44(1):167-75. Epub 2005 Jul 12.@@Jubert C, Geoerger B, Grill J, Hartmann O, Vassal G: [Targeted therapies in pediatric oncology: a new therapeutic approach?]. Arch Pediatr. 2006 Feb;13(2):189-94. Epub 2005 Nov 17.@@Benjamin RS, Blanke CD, Blay JY, Bonvalot S, Eisenberg B: Management of gastrointestinal stromal tumors in the imatinib era: selected case studies. Oncologist. 2006 Jan;11(1):9-20.@@Day E, Waters B, Spiegel K, Alnadaf T, Manley PW, Buchdunger E, Walker C, Jarai G: Inhibition of collagen-induced discoidin domain receptor 1 and 2 activation by imatinib, nilotinib and dasatinib. Eur J Pharmacol. 2008 Dec 3;599(1-3):44-53. doi: 10.1016/j.ejphar.2008.10.014. Epub 2008 Oct 11." Approved Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Myelosuppressive Agents; Cancer immunotherapy; OCT2 Inhibitors; Enzyme Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; UGT2B17 Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; OCT1 substrates; Immunotherapy; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Benzamides and benzamide derivatives; Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; UDP Glucuronosyltransferases Inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Highest Risk QTc-Prolonging Agents; Pyrimidines; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1 Imatinib Inhibition of BCR-ABL drug_action 12429 46505055 D01441 PA10804 DNC001383 Imatinib CHEMBL941 282388 DB00619 Imatinib BE0000014 ABL1 P00519 ABL1_HUMAN inhibitor 15799618; 15917650; 15949566; 16153117; 16205964 "Hoerth E, Kodym R: Involvment of c-Abl in the radiation-induced inhibition of myoblast differentiation. Int J Radiat Biol. 2004 Oct;80(10):729-36.@@Dewar AL, Zannettino AC, Hughes TP, Lyons AB: Inhibition of c-fms by imatinib: expanding the spectrum of treatment. Cell Cycle. 2005 Jul;4(7):851-3. Epub 2005 Jul 28.@@Agirre X, Roman-Gomez J, Vazquez I, Jimenez-Velasco A, Larrayoz MJ, Lahortiga I, Andreu EJ, Marquez J, Beltran de Heredia JM, Odero MD, Prosper F, Calasanz MJ: Coexistence of different clonal populations harboring the b3a2 (p210) and e1a2 (p190) BCR-ABL1 fusion transcripts in chronic myelogenous leukemia resistant to imatinib. Cancer Genet Cytogenet. 2005 Jul 1;160(1):22-6.@@Brueggemeier SB, Wu D, Kron SJ, Palecek SP: Protein-acrylamide copolymer hydrogels for array-based detection of tyrosine kinase activity from cell lysates. Biomacromolecules. 2005 Sep-Oct;6(5):2765-75.@@Haberler C, Gelpi E, Marosi C, Rossler K, Birner P, Budka H, Hainfellner JA: Immunohistochemical analysis of platelet-derived growth factor receptor-alpha, -beta, c-kit, c-abl, and arg proteins in glioblastoma: possible implications for patient selection for imatinib mesylate therapy. J Neurooncol. 2006 Jan;76(2):105-9." Approved Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Myelosuppressive Agents; Cancer immunotherapy; OCT2 Inhibitors; Enzyme Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; UGT2B17 Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; OCT1 substrates; Immunotherapy; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Benzamides and benzamide derivatives; Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; UDP Glucuronosyltransferases Inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Highest Risk QTc-Prolonging Agents; Pyrimidines; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1 Imatinib Inhibition of BCR-ABL drug_action 12429 46505055 D01441 PA10804 DNC001383 Imatinib CHEMBL941 282388 DB00619 Imatinib BE0004741 DDR2 Q16832 DDR2_HUMAN antagonist 18938156 "Day E, Waters B, Spiegel K, Alnadaf T, Manley PW, Buchdunger E, Walker C, Jarai G: Inhibition of collagen-induced discoidin domain receptor 1 and 2 activation by imatinib, nilotinib and dasatinib. Eur J Pharmacol. 2008 Dec 3;599(1-3):44-53. doi: 10.1016/j.ejphar.2008.10.014. Epub 2008 Oct 11." Approved Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Myelosuppressive Agents; Cancer immunotherapy; OCT2 Inhibitors; Enzyme Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; UGT2B17 Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; OCT1 substrates; Immunotherapy; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Benzamides and benzamide derivatives; Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; UDP Glucuronosyltransferases Inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Highest Risk QTc-Prolonging Agents; Pyrimidines; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1 Imatinib Inhibition of BCR-ABL drug_action 12429 46505055 D01441 PA10804 DNC001383 Imatinib CHEMBL941 282388 DB00620 Triamcinolone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 19744340; 16507850; 15976447 "Nehme A, Lobenhofer EK, Stamer WD, Edelman JL: Glucocorticoids with different chemical structures but similar glucocorticoid receptor potency regulate subsets of common and unique genes in human trabecular meshwork cells. BMC Med Genomics. 2009 Sep 10;2:58. doi: 10.1186/1755-8794-2-58.@@Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6.@@Shahin V, Ludwig Y, Schafer C, Nikova D, Oberleithner H: Glucocorticoids remodel nuclear envelope structure and permeability. J Cell Sci. 2005 Jul 1;118(Pt 13):2881-9." Approved; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnadienes; Pregnanes; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Dermatologicals; Corticosteroids for Local Oral Treatment; Cytochrome P-450 CYP3A7 Inducers; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Immunologic Factors; Sensory Organs; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Steroids; Nasal Preparations; Alimentary Tract and Metabolism; Hormones; Fused-Ring Compounds; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Protein-Lysine 6-Oxidase, antagonists & inhibitors; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Adrenals; Corticosteroids for Systemic Use; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7591 46507950 D00385 PA451749 DAP000417 Triamcinolone CHEMBL1451 10759 DB00621 Oxandrolone BE0000132 AR P10275 ANDR_HUMAN agonist 11392377; 15219414; 17364004; 20230007; 11752352 "Juul A: The effects of oestrogens on linear bone growth. Hum Reprod Update. 2001 May-Jun;7(3):303-13.@@Zhao J, Bauman WA, Huang R, Caplan AJ, Cardozo C: Oxandrolone blocks glucocorticoid signaling in an androgen receptor-dependent manner. Steroids. 2004 May;69(5):357-66.@@Bi LX, Wiren KM, Zhang XW, Oliveira GV, Klein GL, Mainous EG, Herndon DN: The effect of oxandrolone treatment on human osteoblastic cells. J Burns Wounds. 2007 Mar 7;6:e4.@@Cadwallader AB, Rollins DE, Lim CS: Effect of anabolic-androgenic steroids and glucocorticoids on the kinetics of hAR and hGR nucleocytoplasmic translocation. Mol Pharm. 2010 Jun 7;7(3):689-98. doi: 10.1021/mp900259w.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Steroid lactones Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones "Fused-Ring Compounds; Anabolic Agents for Systemic Use; Androgens; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inhibitors; Androstan Derivatives; Androstanols; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Androstanes; Anabolic Agents; Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)OC[C@]12C 46509027 D00462 PA164749395 DAP000905 Oxandrolone CHEMBL1200436 7779 DB00622 Nicardipine BE0000430 CACNA1C Q13936 CAC1C_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1 1293 46504482 PA450620 DAP000486 Nicardipine CHEMBL1484 7396 DB00622 Nicardipine BE0002354 CACNB2 Q08289 CACB2_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1 1293 46504482 PA450620 DAP000486 Nicardipine CHEMBL1484 7396 DB00622 Nicardipine BE0000691 CACNA2D1 P54289 CA2D1_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1 1293 46504482 PA450620 DAP000486 Nicardipine CHEMBL1484 7396 DB00622 Nicardipine BE0002359 CACNA1D Q01668 CAC1D_HUMAN inhibitor 11160515 "Bell DC, Butcher AJ, Berrow NS, Page KM, Brust PF, Nesterova A, Stauderman KA, Seabrook GR, Nurnberg B, Dolphin AC: Biophysical properties, pharmacology, and modulation of human, neuronal L-type (alpha(1D), Ca(V)1.3) voltage-dependent calcium currents. J Neurophysiol. 2001 Feb;85(2):816-27." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1 1293 46504482 PA450620 DAP000486 Nicardipine CHEMBL1484 7396 DB00622 Nicardipine BE0003565 PDE1A P54750 PDE1A_HUMAN inhibitor 9231746 "Sharma RK, Wang JH, Wu Z: Mechanisms of inhibition of calmodulin-stimulated cyclic nucleotide phosphodiesterase by dihydropyridine calcium antagonists. J Neurochem. 1997 Aug;69(2):845-50." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1 1293 46504482 PA450620 DAP000486 Nicardipine CHEMBL1484 7396 DB00622 Nicardipine BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 2981533 "Thayer SA, Welcome M, Chhabra A, Fairhurst AS: Effects of dihydropyridine calcium channel blocking drugs on rat brain muscarinic and alpha-adrenergic receptors. Biochem Pharmacol. 1985 Jan 15;34(2):175-80." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1 1293 46504482 PA450620 DAP000486 Nicardipine CHEMBL1484 7396 DB00622 Nicardipine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 2981533 "Thayer SA, Welcome M, Chhabra A, Fairhurst AS: Effects of dihydropyridine calcium channel blocking drugs on rat brain muscarinic and alpha-adrenergic receptors. Biochem Pharmacol. 1985 Jan 15;34(2):175-80." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1 1293 46504482 PA450620 DAP000486 Nicardipine CHEMBL1484 7396 DB00622 Nicardipine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 2981533 "Thayer SA, Welcome M, Chhabra A, Fairhurst AS: Effects of dihydropyridine calcium channel blocking drugs on rat brain muscarinic and alpha-adrenergic receptors. Biochem Pharmacol. 1985 Jan 15;34(2):175-80." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1 1293 46504482 PA450620 DAP000486 Nicardipine CHEMBL1484 7396 DB00622 Nicardipine BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 2981533 "Thayer SA, Welcome M, Chhabra A, Fairhurst AS: Effects of dihydropyridine calcium channel blocking drugs on rat brain muscarinic and alpha-adrenergic receptors. Biochem Pharmacol. 1985 Jan 15;34(2):175-80." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1 1293 46504482 PA450620 DAP000486 Nicardipine CHEMBL1484 7396 DB00622 Nicardipine BE0004902 CACNG1 Q9P0X4 CAC1I_HUMAN inhibitor 18091748 "Shima E, Katsube M, Kato T, Kitagawa M, Hato F, Hino M, Takahashi T, Fujita H, Kitagawa S: Calcium channel blockers suppress cytokine-induced activation of human neutrophils. Am J Hypertens. 2008 Jan;21(1):78-84. doi: 10.1038/ajh.2007.13." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1 1293 46504482 PA450620 DAP000486 Nicardipine CHEMBL1484 7396 DB00622 Nicardipine BE0000864 CACNA1H O95180 CAC1H_HUMAN inhibitor 19401195 "Furukawa T, Nukada T, Namiki Y, Miyashita Y, Hatsuno K, Ueno Y, Yamakawa T, Isshiki T: Five different profiles of dihydropyridines in blocking T-type Ca(2+) channel subtypes (Ca(v)3.1 (alpha(1G)), Ca(v)3.2 (alpha(1H)), and Ca(v)3.3 (alpha(1I))) expressed in Xenopus oocytes. Eur J Pharmacol. 2009 Jun 24;613(1-3):100-7. doi: 10.1016/j.ejphar.2009.04.036. Epub 2009 May 3." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1 1293 46504482 PA450620 DAP000486 Nicardipine CHEMBL1484 7396 DB00622 Nicardipine BE0000012 CACNA1I Q9P0X4 CAC1I_HUMAN inhibitor 19401195 "Furukawa T, Nukada T, Namiki Y, Miyashita Y, Hatsuno K, Ueno Y, Yamakawa T, Isshiki T: Five different profiles of dihydropyridines in blocking T-type Ca(2+) channel subtypes (Ca(v)3.1 (alpha(1G)), Ca(v)3.2 (alpha(1H)), and Ca(v)3.3 (alpha(1I))) expressed in Xenopus oocytes. Eur J Pharmacol. 2009 Jun 24;613(1-3):100-7. doi: 10.1016/j.ejphar.2009.04.036. Epub 2009 May 3." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1 1293 46504482 PA450620 DAP000486 Nicardipine CHEMBL1484 7396 DB00623 Fluphenazine BE0000132 AR P10275 ANDR_HUMAN 17606915 "Bisson WH, Cheltsov AV, Bruey-Sedano N, Lin B, Chen J, Goldberger N, May LT, Christopoulos A, Dalton JT, Sexton PM, Zhang XK, Abagyan R: Discovery of antiandrogen activity of nonsteroidal scaffolds of marketed drugs. Proc Natl Acad Sci U S A. 2007 Jul 17;104(29):11927-32. Epub 2007 Jul 2." Approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Cytochrome P-450 CYP2D6 Inhibitors (weak); Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Drugs causing inadvertant photosensitivity; Phenothiazines With Piperazine Structure; Delayed-Action Preparations; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents" OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1 8013 46506645 D07977 PA449676 DCL000806 Fluphenazine CHEMBL726 4496 DB00623 Fluphenazine BE0000533 HTR2C P28335 5HT2C_HUMAN 17606915 "Bisson WH, Cheltsov AV, Bruey-Sedano N, Lin B, Chen J, Goldberger N, May LT, Christopoulos A, Dalton JT, Sexton PM, Zhang XK, Abagyan R: Discovery of antiandrogen activity of nonsteroidal scaffolds of marketed drugs. Proc Natl Acad Sci U S A. 2007 Jul 17;104(29):11927-32. Epub 2007 Jul 2." Approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Cytochrome P-450 CYP2D6 Inhibitors (weak); Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Drugs causing inadvertant photosensitivity; Phenothiazines With Piperazine Structure; Delayed-Action Preparations; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents" OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1 8013 46506645 D07977 PA449676 DCL000806 Fluphenazine CHEMBL726 4496 DB00624 Testosterone BE0000132 AR P10275 ANDR_HUMAN agonist 17084172; 17086931; 17128417; 17202804; 17322500; 11752352 "Small EJ, Ryan CJ: The case for secondary hormonal therapies in the chemotherapy age. J Urol. 2006 Dec;176(6 Pt 2):S66-71.@@Omwancha J, Brown TR: Selective androgen receptor modulators: in pursuit of tissue-selective androgens. Curr Opin Investig Drugs. 2006 Oct;7(10):873-81.@@Petraki CD, Sfikas CP: Histopathological changes induced by therapies in the benign prostate and prostate adenocarcinoma. Histol Histopathol. 2007 Jan;22(1):107-18.@@Maudsley S, Davidson L, Pawson AJ, Freestone SH, Lopez de Maturana R, Thomson AA, Millar RP: Gonadotropin-releasing hormone functionally antagonizes testosterone activation of the human androgen receptor in prostate cells through focal adhesion complexes involving Hic-5. Neuroendocrinology. 2006;84(5):285-300. Epub 2007 Jan 4.@@Lapauw B, Goemaere S, Crabbe P, Kaufman JM, Ruige JB: Is the effect of testosterone on body composition modulated by the androgen receptor gene CAG repeat polymorphism in elderly men? Eur J Endocrinol. 2007 Mar;156(3):395-401.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); 3-Oxoandrosten (4) Derivatives; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Steroids; Anabolic Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Androgens and Estrogens; P-glycoprotein inhibitors; Gonadal Hormones; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Testosterone and derivatives; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP3A Inducers; OAT3/SLC22A8 Inducers; Cytochrome P-450 CYP3A7 Substrates; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androstenedione Metabolism disease; metabolic 7478 46505691 D00075 PA451627 DAP000841 Testosterone CHEMBL386630 10379 DB00624 Testosterone BE0000123 ESR1 P03372 ESR1_HUMAN inhibitor 12676605; 10973921 "Kojima H, Iida M, Katsura E, Kanetoshi A, Hori Y, Kobayashi K: Effects of a diphenyl ether-type herbicide, chlornitrofen, and its amino derivative on androgen and estrogen receptor activities. Environ Health Perspect. 2003 Apr;111(4):497-502.@@Zhou J, Ng S, Adesanya-Famuiya O, Anderson K, Bondy CA: Testosterone inhibits estrogen-induced mammary epithelial proliferation and suppresses estrogen receptor expression. FASEB J. 2000 Sep;14(12):1725-30. doi: 10.1096/fj.99-0863com." Approved; Investigational Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); 3-Oxoandrosten (4) Derivatives; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Steroids; Anabolic Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Androgens and Estrogens; P-glycoprotein inhibitors; Gonadal Hormones; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Testosterone and derivatives; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP3A Inducers; OAT3/SLC22A8 Inducers; Cytochrome P-450 CYP3A7 Substrates; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androstenedione Metabolism disease; metabolic 7478 46505691 D00075 PA451627 DAP000841 Testosterone CHEMBL386630 10379 DB00624 Testosterone BE0000668 NR3C2 P08235 MCR_HUMAN ligand 17105867 "Takeda AN, Pinon GM, Bens M, Fagart J, Rafestin-Oblin ME, Vandewalle A: The synthetic androgen methyltrienolone (r1881) acts as a potent antagonist of the mineralocorticoid receptor. Mol Pharmacol. 2007 Feb;71(2):473-82. Epub 2006 Nov 14." Approved; Investigational Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); 3-Oxoandrosten (4) Derivatives; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Steroids; Anabolic Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Androgens and Estrogens; P-glycoprotein inhibitors; Gonadal Hormones; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Testosterone and derivatives; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP3A Inducers; OAT3/SLC22A8 Inducers; Cytochrome P-450 CYP3A7 Substrates; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androstenedione Metabolism disease; metabolic 7478 46505691 D00075 PA451627 DAP000841 Testosterone CHEMBL386630 10379 DB00626 Bacitracin BE0001183 IDE P14735 IDE_HUMAN inhibitor 11752352; 8484964 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Medina V, Kesner L, Stracher A: Purification of nonantibiotic insulinase inhibitors from bacitracin. Biochem Med Metab Biol. 1993 Apr;49(2):255-64." Approved; Vet_approved Polypeptides Organic compounds; Organic Polymers; Polypeptides "Peptides, Cyclic; Anti-Bacterial Agents; Nephrotoxic agents; Dermatologicals; Hydroxybenzoates; Benzene Derivatives; Antiinfectives for Systemic Use; Amino Acids, Peptides, and Proteins; Benzoates; Hydroxy Acids; Phenols; Throat Preparations; Acids, Carbocyclic; Peptides; Antibacterials for Systemic Use; Decreased Cell Wall Synthesis & Repair; Bacitracins; Anti-Infective Agents; Antibiotics for Topical Use; Anti-Infective Agents, Local" CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC 8502 46504727 D00128 PA448531 DAP000710 Bacitracin CHEMBL1200558 1291 DB00626 Bacitracin BE0000910 A2M P01023 A2MG_HUMAN inhibitor 42903; 6162847; 6165617; 6184373; 6187372 "Maxfield FR, Davies PJ, Klempner L, Willingham MC, Pastan I: Epidermal growth factor stimulation of DNA synthesis is potentiated by compounds that inhibit its clustering in coated pits. Proc Natl Acad Sci U S A. 1979 Nov;76(11):5731-5.@@Dickson RB, Willingham MC, Pastan I: Binding and internalization of 125I-alpha 2-macroglobulin by cultured fibroblasts. J Biol Chem. 1981 Apr 10;256(7):3454-9.@@Dickson RB, Willingham MC, Gallo M, Pastan I: Inhibition by bacitracin of high affinity binding of 125I-alpha 2M to plasma membranes. FEBS Lett. 1981 Apr 20;126(2):265-8.@@Hanover JA, Cheng S, Willingham MC, Pastan IH: alpha 2-Macroglobulin binding to cultured fibroblasts. Solubilization and partial purification of binding sites. J Biol Chem. 1983 Jan 10;258(1):370-7.@@Gliemann J, Larsen TR, Sottrup-Jensen L: Cell association and degradation of alpha 2-macroglobulin-trypsin complexes in hepatocytes and adipocytes. Biochim Biophys Acta. 1983 Mar 31;756(2):230-7." Approved; Vet_approved Polypeptides Organic compounds; Organic Polymers; Polypeptides "Peptides, Cyclic; Anti-Bacterial Agents; Nephrotoxic agents; Dermatologicals; Hydroxybenzoates; Benzene Derivatives; Antiinfectives for Systemic Use; Amino Acids, Peptides, and Proteins; Benzoates; Hydroxy Acids; Phenols; Throat Preparations; Acids, Carbocyclic; Peptides; Antibacterials for Systemic Use; Decreased Cell Wall Synthesis & Repair; Bacitracins; Anti-Infective Agents; Antibiotics for Topical Use; Anti-Infective Agents, Local" CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC 8502 46504727 D00128 PA448531 DAP000710 Bacitracin CHEMBL1200558 1291 DB00627 Niacin BE0000526 QPRT Q15274 NADC_HUMAN binder 11758903; 15753098; 15837705 "Fukuwatari T, Morikawa Y, Hayakawa F, Sugimoto E, Shibata K: Influence of adenine-induced renal failure on tryptophan-niacin metabolism in rats. Biosci Biotechnol Biochem. 2001 Oct;65(10):2154-61.@@Shin DH, Oganesyan N, Jancarik J, Yokota H, Kim R, Kim SH: Crystal structure of a nicotinate phosphoribosyltransferase from Thermoplasma acidophilum. J Biol Chem. 2005 May 6;280(18):18326-35. Epub 2005 Mar 6.@@Zheng XQ, Hayashibe E, Ashihara H: Changes in trigonelline (N-methylnicotinic acid) content and nicotinic acid metabolism during germination of mungbean (Phaseolus aureus) seeds. J Exp Bot. 2005 Jun;56(416):1615-23. Epub 2005 Apr 18." Approved; Investigational; Nutraceutical Pyridinecarboxylic acids Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; Peripheral Vasodilators; Vitamins; Growth Substances; Hyperglycemia-Associated Agents; Noxae; Lipid Modifying Agents; Thyroxine-binding globulin inhibitors; Pyridines; Cardiovascular Agents; Vitamin B Complex; Miscellaneous Antilipemic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; Nicotinic Acid and Derivatives; Cytochrome P-450 CYP3A4 Inhibitors; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Diet, Food, and Nutrition; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Food; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Micronutrients; Cytochrome P-450 CYP2E1 Inhibitors; Physiological Phenomena; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Toxic Actions" OC(=O)C1=CN=CC=C1 Nicotinate and Nicotinamide Metabolism metabolic 474 46507508 D00049 PA450617 Niacin CHEMBL573 7393 DB00628 Clorazepic acid BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved; Illicit "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Cytochrome P-450 CYP3A Substrates; GABA Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Psycholeptics; Heterocyclic Compounds, Fused-Ring; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anticonvulsants" OC(=O)C1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2 2495 46506595 D00694 PA164749297 DAP000240 Clorazepate CHEMBL1213252 235408 DB00630 Alendronic acid BE0000776 FDPS P14324 FPPS_HUMAN inhibitor 10620343; 11752352; 11160603; 17535895 "Bergstrom JD, Bostedor RG, Masarachia PJ, Reszka AA, Rodan G: Alendronate is a specific, nanomolar inhibitor of farnesyl diphosphate synthase. Arch Biochem Biophys. 2000 Jan 1;373(1):231-41.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Dunford JE, Thompson K, Coxon FP, Luckman SP, Hahn FM, Poulter CD, Ebetino FH, Rogers MJ: Structure-activity relationships for inhibition of farnesyl diphosphate synthase in vitro and inhibition of bone resorption in vivo by nitrogen-containing bisphosphonates. J Pharmacol Exp Ther. 2001 Feb;296(2):235-42.@@Guo RT, Cao R, Liang PH, Ko TP, Chang TH, Hudock MP, Jeng WY, Chen CK, Zhang Y, Song Y, Kuo CJ, Yin F, Oldfield E, Wang AH: Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases. Proc Natl Acad Sci U S A. 2007 Jun 12;104(24):10022-7. Epub 2007 May 29." Approved Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates Agents Causing Muscle Toxicity; Organophosphonates; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases NCCCC(O)(P(O)(O)=O)P(O)(O)=O Alendronate Action Pathway drug_action 13353 46507199 PA448082 DAP000182 Alendronic_acid CHEMBL870 236083 DB00630 Alendronic acid BE0000980 PTPN4 P29074 PTN4_HUMAN inhibitor 9310349 "Opas EE, Rutledge SJ, Golub E, Stern A, Zimolo Z, Rodan GA, Schmidt A: Alendronate inhibition of protein-tyrosine-phosphatase-meg1. Biochem Pharmacol. 1997 Sep 15;54(6):721-7." Approved Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates Agents Causing Muscle Toxicity; Organophosphonates; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases NCCCC(O)(P(O)(O)=O)P(O)(O)=O Alendronate Action Pathway drug_action 13353 46507199 PA448082 DAP000182 Alendronic_acid CHEMBL870 236083 DB00630 Alendronic acid BE0003567 PTPRS Q13332 PTPRS_HUMAN inhibitor 9310349; 8610169; 11752352 "Opas EE, Rutledge SJ, Golub E, Stern A, Zimolo Z, Rodan GA, Schmidt A: Alendronate inhibition of protein-tyrosine-phosphatase-meg1. Biochem Pharmacol. 1997 Sep 15;54(6):721-7.@@Schmidt A, Rutledge SJ, Endo N, Opas EE, Tanaka H, Wesolowski G, Leu CT, Huang Z, Ramachandaran C, Rodan SB, Rodan GA: Protein-tyrosine phosphatase activity regulates osteoclast formation and function: inhibition by alendronate. Proc Natl Acad Sci U S A. 1996 Apr 2;93(7):3068-73.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates Agents Causing Muscle Toxicity; Organophosphonates; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases NCCCC(O)(P(O)(O)=O)P(O)(O)=O Alendronate Action Pathway drug_action 13353 46507199 PA448082 DAP000182 Alendronic_acid CHEMBL870 236083 DB00630 Alendronic acid BE0003568 PTPRE P23469 PTPRE_HUMAN inhibitor 8610169 "Schmidt A, Rutledge SJ, Endo N, Opas EE, Tanaka H, Wesolowski G, Leu CT, Huang Z, Ramachandaran C, Rodan SB, Rodan GA: Protein-tyrosine phosphatase activity regulates osteoclast formation and function: inhibition by alendronate. Proc Natl Acad Sci U S A. 1996 Apr 2;93(7):3068-73." Approved Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates Agents Causing Muscle Toxicity; Organophosphonates; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases NCCCC(O)(P(O)(O)=O)P(O)(O)=O Alendronate Action Pathway drug_action 13353 46507199 PA448082 DAP000182 Alendronic_acid CHEMBL870 236083 DB00630 Alendronic acid BE0003569 ATP6V1A P38606 VATA_HUMAN inhibitor 8889850 "David P, Nguyen H, Barbier A, Baron R: The bisphosphonate tiludronate is a potent inhibitor of the osteoclast vacuolar H(+)-ATPase. J Bone Miner Res. 1996 Oct;11(10):1498-507." Approved Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates Agents Causing Muscle Toxicity; Organophosphonates; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases NCCCC(O)(P(O)(O)=O)P(O)(O)=O Alendronate Action Pathway drug_action 13353 46507199 PA448082 DAP000182 Alendronic_acid CHEMBL870 236083 DB00631 Clofarabine BE0000546 POLA1 P09884 DPOLA_HUMAN inhibitor 17139284; 17016423; 20631817; 15230627; 18780321; 18728851; 17852710; 19519505; 19576186 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Pession A, Masetti R, Kleinschmidt K, Martoni A: Use of clofarabine for acute childhood leukemia. Biologics. 2010 Jun 24;4:111-8.@@Authors unspecified: Clofarabine. Drugs R D. 2004;5(4):213-7.@@Musto P, Ferrara F: Clofarabine: in search of combinations for the treatment of patients with high-risk acute myeloid leukemia. Cancer. 2008 Oct 15;113(8):1995-8. doi: 10.1002/cncr.23804.@@Harned TM, Gaynon PS: Treating refractory leukemias in childhood, role of clofarabine. Ther Clin Risk Manag. 2008 Apr;4(2):327-36.@@Kantarjian HM, Jeha S, Gandhi V, Wess M, Faderl S: Clofarabine: past, present, and future. Leuk Lymphoma. 2007 Oct;48(10):1922-30.@@Lech-Maranda E, Korycka A, Robak T: Clofarabine as a novel nucleoside analogue approved to treat patients with haematological malignancies: mechanism of action and clinical activity. Mini Rev Med Chem. 2009 Jun;9(7):805-12.@@Zhenchuk A, Lotfi K, Juliusson G, Albertioni F: Mechanisms of anti-cancer action and pharmacology of clofarabine. Biochem Pharmacol. 2009 Dec 1;78(11):1351-9. doi: 10.1016/j.bcp.2009.06.094. Epub 2009 Jul 1." Approved; Investigational Purine 2'-deoxyribonucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides" "Myelosuppressive Agents; Purines; OAT3/SLC22A8 Substrates; Nucleosides; Antimetabolites; Noxae; Hypotensive Agents; Adenine Nucleotides; Ribonucleotides; Drugs that are Mainly Renally Excreted; Nucleotides; Arabinonucleosides; Antineoplastic Agents; BCRP/ABCG2 Substrates; Heterocyclic Compounds, Fused-Ring; OCT2 Substrates with a Narrow Therapeutic Index; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; Purine Nucleotides; Narrow Therapeutic Index Drugs; Toxic Actions; Purine Analogues" [H][C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=C(Cl)N=C12 20504 46504968 PA164754863 DAP000849 Clofarabine CHEMBL1750 44151 DB00631 Clofarabine BE0000325 RRM1 P23921 RIR1_HUMAN inhibitor 17139284; 17016423; 20631817; 15230627; 18780321; 18728851; 17852710; 19519505; 19576186 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Pession A, Masetti R, Kleinschmidt K, Martoni A: Use of clofarabine for acute childhood leukemia. Biologics. 2010 Jun 24;4:111-8.@@Authors unspecified: Clofarabine. Drugs R D. 2004;5(4):213-7.@@Musto P, Ferrara F: Clofarabine: in search of combinations for the treatment of patients with high-risk acute myeloid leukemia. Cancer. 2008 Oct 15;113(8):1995-8. doi: 10.1002/cncr.23804.@@Harned TM, Gaynon PS: Treating refractory leukemias in childhood, role of clofarabine. Ther Clin Risk Manag. 2008 Apr;4(2):327-36.@@Kantarjian HM, Jeha S, Gandhi V, Wess M, Faderl S: Clofarabine: past, present, and future. Leuk Lymphoma. 2007 Oct;48(10):1922-30.@@Lech-Maranda E, Korycka A, Robak T: Clofarabine as a novel nucleoside analogue approved to treat patients with haematological malignancies: mechanism of action and clinical activity. Mini Rev Med Chem. 2009 Jun;9(7):805-12.@@Zhenchuk A, Lotfi K, Juliusson G, Albertioni F: Mechanisms of anti-cancer action and pharmacology of clofarabine. Biochem Pharmacol. 2009 Dec 1;78(11):1351-9. doi: 10.1016/j.bcp.2009.06.094. Epub 2009 Jul 1." Approved; Investigational Purine 2'-deoxyribonucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides" "Myelosuppressive Agents; Purines; OAT3/SLC22A8 Substrates; Nucleosides; Antimetabolites; Noxae; Hypotensive Agents; Adenine Nucleotides; Ribonucleotides; Drugs that are Mainly Renally Excreted; Nucleotides; Arabinonucleosides; Antineoplastic Agents; BCRP/ABCG2 Substrates; Heterocyclic Compounds, Fused-Ring; OCT2 Substrates with a Narrow Therapeutic Index; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; Purine Nucleotides; Narrow Therapeutic Index Drugs; Toxic Actions; Purine Analogues" [H][C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=C(Cl)N=C12 20504 46504968 PA164754863 DAP000849 Clofarabine CHEMBL1750 44151 DB00635 Prednisone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 17121036; 16597193; 17504182; 17062674; 16707595; 11752352; 15634032 "Liu BG, Li ZY, Du M: [Effects of jingui shenqi pill combined prednisone on expression of glucocorticoid receptor and its clinical effect in treating bullous pemphigoid patients]. Zhongguo Zhong Xi Yi Jie He Za Zhi. 2006 Oct;26(10):881-4.@@Friel PN, Alexander T, Wright JV: Suppression of adrenal function by low-dose prednisone: assessment with 24-hour urinary steroid hormone profiles--a review of five cases. Altern Med Rev. 2006 Mar;11(1):40-6.@@Diez JJ, Iglesias P: Pharmacological therapy of Cushing's syndrome: drugs and indications. Mini Rev Med Chem. 2007 May;7(5):467-80.@@Yano A, Fujii Y, Iwai A, Kawakami S, Kageyama Y, Kihara K: Glucocorticoids suppress tumor lymphangiogenesis of prostate cancer cells. Clin Cancer Res. 2006 Oct 15;12(20 Pt 1):6012-7.@@Yano A, Fujii Y, Iwai A, Kageyama Y, Kihara K: Glucocorticoids suppress tumor angiogenesis and in vivo growth of prostate cancer cells. Clin Cancer Res. 2006 May 15;12(10):3003-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Czock D, Keller F, Rasche FM, Haussler U: Pharmacokinetics and pharmacodynamics of systemically administered glucocorticoids. Clin Pharmacokinet. 2005;44(1):61-98. doi: 10.2165/00003088-200544010-00003." Approved; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnanes; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; P-glycoprotein inducers; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Corticosteroids Acting Locally; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Hormones; P-glycoprotein inhibitors; Prednisolone and Prodrugs; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Pregnadienediols; Cytochrome P-450 CYP3A4 Substrates; Intestinal Antiinflammatory Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2A6 Inducers; Antineoplastic Agents, Hormonal; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Prednisone Metabolism Pathway; Prednisone Action Pathway drug_metabolism; drug_action 7566 46508166 D00473 PA451100 DAP001041 Prednisone CHEMBL635 8640 DB00636 Clofibrate BE0000071 PPARA Q07869 PPARA_HUMAN agonist 10454501; 10753628; 10787442; 10922459; 10951268; 20671072; 20637823 "Barclay TB, Peters JM, Sewer MB, Ferrari L, Gonzalez FJ, Morgan ET: Modulation of cytochrome P-450 gene expression in endotoxemic mice is tissue specific and peroxisome proliferator-activated receptor-alpha dependent. J Pharmacol Exp Ther. 1999 Sep;290(3):1250-7.@@Murata M, Kaji H, Takahashi Y, Iida K, Mizuno I, Okimura Y, Abe H, Chihara K: Stimulation by eicosapentaenoic acids of leptin mRNA expression and its secretion in mouse 3T3-L1 adipocytes in vitro. Biochem Biophys Res Commun. 2000 Apr 13;270(2):343-8.@@Hunt MC, Lindquist PJ, Peters JM, Gonzalez FJ, Diczfalusy U, Alexson SE: Involvement of the peroxisome proliferator-activated receptor alpha in regulating long-chain acyl-CoA thioesterases. J Lipid Res. 2000 May;41(5):814-23.@@Casas F, Domenjoud L, Rochard P, Hatier R, Rodier A, Daury L, Bianchi A, Kremarik-Bouillaud P, Becuwe P, Keller J, Schohn H, Wrutniak-Cabello C, Cabello G, Dauca M: A 45 kDa protein related to PPARgamma2, induced by peroxisome proliferators, is located in the mitochondrial matrix. FEBS Lett. 2000 Jul 28;478(1-2):4-8.@@Komuves LG, Hanley K, Lefebvre AM, Man MQ, Ng DC, Bikle DD, Williams ML, Elias PM, Auwerx J, Feingold KR: Stimulation of PPARalpha promotes epidermal keratinocyte differentiation in vivo. J Invest Dermatol. 2000 Sep;115(3):353-60.@@Gelosa P, Banfi C, Gianella A, Brioschi M, Pignieri A, Nobili E, Castiglioni L, Cimino M, Tremoli E, Sironi L: Peroxisome proliferator-activated receptor {alpha} agonism prevents renal damage and the oxidative stress and inflammatory processes affecting the brains of stroke-prone rats. J Pharmacol Exp Ther. 2010 Nov;335(2):324-31. doi: 10.1124/jpet.110.171090. Epub 2010 Jul 29.@@Palkar PS, Anderson CR, Ferry CH, Gonzalez FJ, Peters JM: Effect of prenatal peroxisome proliferator-activated receptor alpha (PPARalpha) agonism on postnatal development. Toxicology. 2010 Sep 30;276(1):79-84. doi: 10.1016/j.tox.2010.07.008. Epub 2010 Jul 15." Approved; Investigational Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives "Cytochrome P-450 CYP3A Substrates; Ethers; Benzene Derivatives; Lipid Modifying Agents; Cytochrome P-450 CYP2E1 Inducers; Butyrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Fibric Acids; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Acids, Acyclic; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents; Phenyl Ethers; Clofibric Acid; Cytochrome P-450 CYP3A Inducers" CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1 9842 46504748 D00279 PA449045 DAP000262 Clofibrate CHEMBL565 2594 DB00637 Astemizole BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 8001268; 6146346; 3147222; 10597865; 10597866; 6204835; 2892659; 11752352 "Salata JJ, Jurkiewicz NK, Wallace AA, Stupienski RF 3rd, Guinosso PJ Jr, Lynch JJ Jr: Cardiac electrophysiological actions of the histamine H1-receptor antagonists astemizole and terfenadine compared with chlorpheniramine and pyrilamine. Circ Res. 1995 Jan;76(1):110-9.@@Howarth PH, Emanuel MB, Holgate ST: Astemizole, a potent histamine H1-receptor antagonist: effect in allergic rhinoconjunctivitis, on antigen and histamine induced skin weal responses and relationship to serum levels. Br J Clin Pharmacol. 1984 Jul;18(1):1-8.@@Kaliner MA, Check WA: Non-sedating antihistamines. Allergy Proc. 1988 Nov-Dec;9(6):649-63.@@Cavero I, Mestre M, Guillon JM, Heuillet E, Roach AG: Preclinical in vitro cardiac electrophysiology: a method of predicting arrhythmogenic potential of antihistamines in humans? Drug Saf. 1999;21 Suppl 1:19-31; discussion 81-7.@@Llenas J, Cardelus I, Heredia A, de Mora F, Gristwood RW: Cardiotoxicity of histamine and the possible role of histamine in the arrhythmogenesis produced by certain antihistamines. Drug Saf. 1999;21 Suppl 1:33-8; discussion 81-7.@@Richards DM, Brogden RN, Heel RC, Speight TM, Avery GS: Astemizole. A review of its pharmacodynamic properties and therapeutic efficacy. Drugs. 1984 Jul;28(1):38-61.@@Krstenansky PM, Cluxton RJ Jr: Astemizole: a long-acting, nonsedating antihistamine. Drug Intell Clin Pharm. 1987 Dec;21(12):947-53.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Withdrawn Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles "Anti-Allergic Agents; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Antihistamines for Systemic Use; Histamine Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Benzimidazoles" COC1=CC=C(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2=CC=C(F)C=C2)C=C1 Astemizole H1-Antihistamine Action drug_action 1879 46508569 D00234 PA448498 DAP000326 Astemizole CHEMBL296419 42328 DB00637 Astemizole BE0005191 KCNH1 O95259 KCNH1_HUMAN 15365094 "Garcia-Ferreiro RE, Kerschensteiner D, Major F, Monje F, Stuhmer W, Pardo LA: Mechanism of block of hEag1 K+ channels by imipramine and astemizole. J Gen Physiol. 2004 Oct;124(4):301-17. Epub 2004 Sep 13." Approved; Withdrawn Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles "Anti-Allergic Agents; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Antihistamines for Systemic Use; Histamine Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Benzimidazoles" COC1=CC=C(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2=CC=C(F)C=C2)C=C1 Astemizole H1-Antihistamine Action drug_action 1879 46508569 D00234 PA448498 DAP000326 Astemizole CHEMBL296419 42328 DB00640 Adenosine BE0000924 ADORA2A P29274 AA2AR_HUMAN agonist 20370662; 20370661; 17321471; 16339914; 19749080; 20136829; 17438146; 17442976 "Trincavelli ML, Daniele S, Martini C: Adenosine receptors: what we know and what we are learning. Curr Top Med Chem. 2010;10(9):860-77.@@Schenone S, Brullo C, Musumeci F, Bruno O, Botta M: A1 receptors ligands: past, present and future trends. Curr Top Med Chem. 2010;10(9):878-901.@@Ezeamuzie CI, Khan I: The role of adenosine A(2) receptors in the regulation of TNF-alpha production and PGE(2) release in mouse peritoneal macrophages. Int Immunopharmacol. 2007 Apr;7(4):483-90. Epub 2006 Dec 29.@@Kreckler LM, Wan TC, Ge ZD, Auchampach JA: Adenosine inhibits tumor necrosis factor-alpha release from mouse peritoneal macrophages via A2A and A2B but not the A3 adenosine receptor. J Pharmacol Exp Ther. 2006 Apr;317(1):172-80. Epub 2005 Dec 9.@@Kreckler LM, Gizewski E, Wan TC, Auchampach JA: Adenosine suppresses lipopolysaccharide-induced tumor necrosis factor-alpha production by murine macrophages through a protein kinase A- and exchange protein activated by cAMP-independent signaling pathway. J Pharmacol Exp Ther. 2009 Dec;331(3):1051-61. doi: 10.1124/jpet.109.157651. Epub 2009 Sep 11.@@Buenestado A, Grassin Delyle S, Arnould I, Besnard F, Naline E, Blouquit-Laye S, Chapelier A, Bellamy JF, Devillier P: The role of adenosine receptors in regulating production of tumour necrosis factor-alpha and chemokines by human lung macrophages. Br J Pharmacol. 2010 Mar;159(6):1304-11. doi: 10.1111/j.1476-5381.2009.00614.x. Epub 2010 Feb 5.@@Funakoshi H, Zacharia LC, Tang Z, Zhang J, Lee LL, Good JC, Herrmann DE, Higuchi Y, Koch WJ, Jackson EK, Chan TO, Feldman AM: A1 adenosine receptor upregulation accompanies decreasing myocardial adenosine levels in mice with left ventricular dysfunction. Circulation. 2007 May 1;115(17):2307-15. Epub 2007 Apr 16.@@Haschemi A, Wagner O, Marculescu R, Wegiel B, Robson SC, Gagliani N, Gallo D, Chen JF, Bach FH, Otterbein LE: Cross-regulation of carbon monoxide and the adenosine A2a receptor in macrophages. J Immunol. 2007 May 1;178(9):5921-9." Approved; Investigational Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" "Purinergic Agonists; Sensory System Agents; Miscellaneous Cardiac Drugs; Purines; Glycosides; QTc Prolonging Agents; Nucleosides; Ribonucleosides; Carbohydrates; Agents producing tachycardia; Purinergic P1 Receptor Agonists; Hydrocarbons, Acyclic; Cardiovascular Agents; Cyclohexenes; Miscellaneous Therapeutic Agents; Alkenes; Cycloparaffins; Adenosine, antagonists & inhibitors; Purinergic Agents; Cyclohexanes; Terpenes; Purine Nucleosides; Biological Factors; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Nucleic Acids, Nucleotides, and Nucleosides; Peripheral Nervous System Agents; Analgesics; Antiarrhythmics, Class V; Antiarrhythmic agents; Central Nervous System Agents; Cardiac Therapy; Polyenes; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents" NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1 "Lesch-Nyhan Syndrome (LNS); Molybdenum Cofactor Deficiency; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Homocystinuria-Megaloblastic Anemia Due to Defect in Cobalamin Metabolism, cblG Complementation Type; Purine Nucleoside Phosphorylase Deficiency; Methionine Adenosyltransferase Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Thioguanine Action Pathway; Mercaptopurine Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Betaine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Intracellular Signalling Through Adenosine Receptor A2b and Adenosine; Intracellular Signalling Through Adenosine Receptor A2a and Adenosine; Glycine N-Methyltransferase Deficiency; Mitochondrial DNA Depletion Syndrome; Hypermethioninemia; Adenosine Deaminase Deficiency; Selenoamino Acid Metabolism; Xanthinuria Type II; Methionine Metabolism; Myoadenylate Deaminase Deficiency; Cystathionine beta-Synthase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency" signaling; disease; metabolic; drug_action 4732 46508728 D00045 PA448049 DAP000223 Adenosine CHEMBL477 296 DB00640 Adenosine BE0000241 ADORA2B P29275 AA2BR_HUMAN agonist 20370662; 20370661; 17321471; 16339914; 20136829; 17438146; 17442976 "Trincavelli ML, Daniele S, Martini C: Adenosine receptors: what we know and what we are learning. Curr Top Med Chem. 2010;10(9):860-77.@@Schenone S, Brullo C, Musumeci F, Bruno O, Botta M: A1 receptors ligands: past, present and future trends. Curr Top Med Chem. 2010;10(9):878-901.@@Ezeamuzie CI, Khan I: The role of adenosine A(2) receptors in the regulation of TNF-alpha production and PGE(2) release in mouse peritoneal macrophages. Int Immunopharmacol. 2007 Apr;7(4):483-90. Epub 2006 Dec 29.@@Kreckler LM, Wan TC, Ge ZD, Auchampach JA: Adenosine inhibits tumor necrosis factor-alpha release from mouse peritoneal macrophages via A2A and A2B but not the A3 adenosine receptor. J Pharmacol Exp Ther. 2006 Apr;317(1):172-80. Epub 2005 Dec 9.@@Buenestado A, Grassin Delyle S, Arnould I, Besnard F, Naline E, Blouquit-Laye S, Chapelier A, Bellamy JF, Devillier P: The role of adenosine receptors in regulating production of tumour necrosis factor-alpha and chemokines by human lung macrophages. Br J Pharmacol. 2010 Mar;159(6):1304-11. doi: 10.1111/j.1476-5381.2009.00614.x. Epub 2010 Feb 5.@@Funakoshi H, Zacharia LC, Tang Z, Zhang J, Lee LL, Good JC, Herrmann DE, Higuchi Y, Koch WJ, Jackson EK, Chan TO, Feldman AM: A1 adenosine receptor upregulation accompanies decreasing myocardial adenosine levels in mice with left ventricular dysfunction. Circulation. 2007 May 1;115(17):2307-15. Epub 2007 Apr 16.@@Haschemi A, Wagner O, Marculescu R, Wegiel B, Robson SC, Gagliani N, Gallo D, Chen JF, Bach FH, Otterbein LE: Cross-regulation of carbon monoxide and the adenosine A2a receptor in macrophages. J Immunol. 2007 May 1;178(9):5921-9." Approved; Investigational Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" "Purinergic Agonists; Sensory System Agents; Miscellaneous Cardiac Drugs; Purines; Glycosides; QTc Prolonging Agents; Nucleosides; Ribonucleosides; Carbohydrates; Agents producing tachycardia; Purinergic P1 Receptor Agonists; Hydrocarbons, Acyclic; Cardiovascular Agents; Cyclohexenes; Miscellaneous Therapeutic Agents; Alkenes; Cycloparaffins; Adenosine, antagonists & inhibitors; Purinergic Agents; Cyclohexanes; Terpenes; Purine Nucleosides; Biological Factors; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Nucleic Acids, Nucleotides, and Nucleosides; Peripheral Nervous System Agents; Analgesics; Antiarrhythmics, Class V; Antiarrhythmic agents; Central Nervous System Agents; Cardiac Therapy; Polyenes; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents" NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1 "Lesch-Nyhan Syndrome (LNS); Molybdenum Cofactor Deficiency; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Homocystinuria-Megaloblastic Anemia Due to Defect in Cobalamin Metabolism, cblG Complementation Type; Purine Nucleoside Phosphorylase Deficiency; Methionine Adenosyltransferase Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Thioguanine Action Pathway; Mercaptopurine Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Betaine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Intracellular Signalling Through Adenosine Receptor A2b and Adenosine; Intracellular Signalling Through Adenosine Receptor A2a and Adenosine; Glycine N-Methyltransferase Deficiency; Mitochondrial DNA Depletion Syndrome; Hypermethioninemia; Adenosine Deaminase Deficiency; Selenoamino Acid Metabolism; Xanthinuria Type II; Methionine Metabolism; Myoadenylate Deaminase Deficiency; Cystathionine beta-Synthase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency" signaling; disease; metabolic; drug_action 4732 46508728 D00045 PA448049 DAP000223 Adenosine CHEMBL477 296 DB00641 Simvastatin BE0000574 HMGCR P04035 HMDH_HUMAN inhibitor 12518039; 11752352; 12433810; 12852453; 12677170; 12671581; 16128575 "Cenedella RJ, Kuszak JR, Al-Ghoul KJ, Qin S, Sexton PS: Discordant expression of the sterol pathway in lens underlies simvastatin-induced cataracts in Chbb: Thom rats. J Lipid Res. 2003 Jan;44(1):198-211.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kocarek TA, Dahn MS, Cai H, Strom SC, Mercer-Haines NA: Regulation of CYP2B6 and CYP3A expression by hydroxymethylglutaryl coenzyme A inhibitors in primary cultured human hepatocytes. Drug Metab Dispos. 2002 Dec;30(12):1400-5.@@Liu L, Zhang R, Zhao JJ, Rogers JD, Hsieh JY, Fang W, Matuszewski BK, Dobrinska MR: Determination of simvastatin-derived HMG-CoA reductase inhibitors in biomatrices using an automated enzyme inhibition assay with radioactivity detection. J Pharm Biomed Anal. 2003 Apr 24;32(1):107-23.@@Pappu AS, Bacon SP, Illingworth DR: Residual effects of lovastatin and simvastatin on urinary mevalonate excretions in patients with familial hypercholesterolemia. J Lab Clin Med. 2003 Apr;141(4):250-6.@@Stoebner PE, Michot C, Ligeron C, Durand L, Meynadier J, Meunier L: [Simvastatin-induced lichen planus pemphigoides]. Ann Dermatol Venereol. 2003 Feb;130(2 Pt 1):187-90.@@Carbonell T, Freire E: Binding thermodynamics of statins to HMG-CoA reductase. Biochemistry. 2005 Sep 6;44(35):11741-8." Approved Delta valerolactones Organic compounds; Organoheterocyclic compounds; Lactones; Delta valerolactones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Noxae; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Lipid Modifying Agents, Plain; Cytochrome P-450 CYP2B6 Inhibitors (weak); UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); UGT1A1 Substrates; Naphthalenes; Cytochrome P-450 CYP3A7 Substrates" [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC Simvastatin Action Pathway drug_action 1221 46508654 D00434 PA451363 DAP001519 Simvastatin CHEMBL1064 36567 DB00641 Simvastatin BE0000516 ITGAL P20701 ITAL_HUMAN inhibitory allosteric modulator 15041742; 11385505; 15822172; 16828882 "Katano H, Pesnicak L, Cohen JI: Simvastatin induces apoptosis of Epstein-Barr virus (EBV)-transformed lymphoblastoid cell lines and delays development of EBV lymphomas. Proc Natl Acad Sci U S A. 2004 Apr 6;101(14):4960-5. Epub 2004 Mar 23.@@Weitz-Schmidt G, Welzenbach K, Brinkmann V, Kamata T, Kallen J, Bruns C, Cottens S, Takada Y, Hommel U: Statins selectively inhibit leukocyte function antigen-1 by binding to a novel regulatory integrin site. Nat Med. 2001 Jun;7(6):687-92. doi: 10.1038/89058.@@Liao JK, Laufs U: Pleiotropic effects of statins. Annu Rev Pharmacol Toxicol. 2005;45:89-118. doi: 10.1146/annurev.pharmtox.45.120403.095748.@@Fujii T, Masuyama K, Kawashima K: Simvastatin regulates non-neuronal cholinergic activity in T lymphocytes via CD11a-mediated pathways. J Neuroimmunol. 2006 Oct;179(1-2):101-7. Epub 2006 Jul 10." Approved Delta valerolactones Organic compounds; Organoheterocyclic compounds; Lactones; Delta valerolactones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Noxae; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Lipid Modifying Agents, Plain; Cytochrome P-450 CYP2B6 Inhibitors (weak); UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); UGT1A1 Substrates; Naphthalenes; Cytochrome P-450 CYP3A7 Substrates" [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC Simvastatin Action Pathway drug_action 1221 46508654 D00434 PA451363 DAP001519 Simvastatin CHEMBL1064 36567 DB00641 Simvastatin BE0002366 HDAC2 Q92769 HDAC2_HUMAN inhibitor 18381445 "Lin YC, Lin JH, Chou CW, Chang YF, Yeh SH, Chen CC: Statins increase p21 through inhibition of histone deacetylase activity and release of promoter-associated HDAC1/2. Cancer Res. 2008 Apr 1;68(7):2375-83. doi: 10.1158/0008-5472.CAN-07-5807." Approved Delta valerolactones Organic compounds; Organoheterocyclic compounds; Lactones; Delta valerolactones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Noxae; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Lipid Modifying Agents, Plain; Cytochrome P-450 CYP2B6 Inhibitors (weak); UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); UGT1A1 Substrates; Naphthalenes; Cytochrome P-450 CYP3A7 Substrates" [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC Simvastatin Action Pathway drug_action 1221 46508654 D00434 PA451363 DAP001519 Simvastatin CHEMBL1064 36567 DB00642 Pemetrexed BE0001240 ATIC P31939 PUR9_HUMAN inhibitor 12571811; 11524555; 19549896 "Kindler HL: Pemetrexed in pancreatic cancer. Semin Oncol. 2002 Dec;29(6 Suppl 18):49-53.@@Hanauske AR, Chen V, Paoletti P, Niyikiza C: Pemetrexed disodium: a novel antifolate clinically active against multiple solid tumors. Oncologist. 2001;6(4):363-73.@@Racanelli AC, Rothbart SB, Heyer CL, Moran RG: Therapeutics by cytotoxic metabolite accumulation: pemetrexed causes ZMP accumulation, AMPK activation, and mammalian target of rapamycin inhibition. Cancer Res. 2009 Jul 1;69(13):5467-74. doi: 10.1158/0008-5472.CAN-08-4979. Epub 2009 Jun 23." Approved; Investigational Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Myelosuppressive Agents; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Antimetabolites; Amino Acids, Acidic; Amino Acids, Peptides, and Proteins; Folic Acid Analogues; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Antineoplastic Agents; Amino Acids; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Folic Acid Antagonists; Amino Acids, Dicarboxylic; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; Glutamates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N1 13326 46505640 D07472 PA10810 DCL000320 Pemetrexed CHEMBL225072 68446 DB00642 Pemetrexed BE0000330 DHFR P00374 DYR_HUMAN inhibitor 11524555; 11763166; 11841783; 11848474; 12023793; 11752352; 11252887; 11531245; 11742712; 14596699; 15795320; 12571811 "Hanauske AR, Chen V, Paoletti P, Niyikiza C: Pemetrexed disodium: a novel antifolate clinically active against multiple solid tumors. Oncologist. 2001;6(4):363-73.@@Norman P: Pemetrexed disodium (Eli Lilly). Curr Opin Investig Drugs. 2001 Nov;2(11):1611-22.@@Mauritz R, Peters GJ, Priest DG, Assaraf YG, Drori S, Kathmann I, Noordhuis P, Bunni MA, Rosowsky A, Schornagel JH, Pinedo HM, Jansen G: Multiple mechanisms of resistance to methotrexate and novel antifolates in human CCRF-CEM leukemia cells and their implications for folate homeostasis. Biochem Pharmacol. 2002 Jan 15;63(2):105-15.@@Schultz RM, Dempsey JA: Sequence dependence of Alimta (LY231514, MTA) combined with doxorubicin in ZR-75-1 human breast carcinoma cells. Anticancer Res. 2001 Sep-Oct;21(5):3209-14.@@Adjei AA: Pemetrexed in the treatment of selected solid tumors. Semin Oncol. 2002 Apr;29(2 Suppl 5):50-3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Adjei AA: Gemcitabine and Pemetrexed disodium in treating breast cancer. Oncology (Williston Park). 2001 Feb;15(2 Suppl 3):34-7.@@Pivot X, Raymond E, Laguerre B, Degardin M, Cals L, Armand JP, Lefebvre JL, Gedouin D, Ripoche V, Kayitalire L, Niyikiza C, Johnson R, Latz J, Schneider M: Pemetrexed disodium in recurrent locally advanced or metastatic squamous cell carcinoma of the head and neck. Br J Cancer. 2001 Sep 1;85(5):649-55.@@Adjei AA: Gemcitabine and pemetrexed disodium combinations in vitro and in vivo. Lung Cancer. 2001 Dec;34 Suppl 4:S103-5.@@Molina JR, Adjei AA: The role of Pemetrexed (Alimta , LY231514) in lung cancer therapy. Clin Lung Cancer. 2003 Jul;5(1):21-7.@@Giovannetti E, Mey V, Nannizzi S, Pasqualetti G, Marini L, Del Tacca M, Danesi R: Cellular and pharmacogenetics foundation of synergistic interaction of pemetrexed and gemcitabine in human non-small-cell lung cancer cells. Mol Pharmacol. 2005 Jul;68(1):110-8. Epub 2005 Mar 28.@@Kindler HL: Pemetrexed in pancreatic cancer. Semin Oncol. 2002 Dec;29(6 Suppl 18):49-53." Approved; Investigational Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Myelosuppressive Agents; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Antimetabolites; Amino Acids, Acidic; Amino Acids, Peptides, and Proteins; Folic Acid Analogues; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Antineoplastic Agents; Amino Acids; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Folic Acid Antagonists; Amino Acids, Dicarboxylic; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; Glutamates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N1 13326 46505640 D07472 PA10810 DCL000320 Pemetrexed CHEMBL225072 68446 DB00642 Pemetrexed BE0000882 GART P22102 PUR2_HUMAN inhibitor 11848474; 11524555; 14596699; 15795320; 12571811; 11252887; 11531245; 11742712; 12023793; 10592235 "Schultz RM, Dempsey JA: Sequence dependence of Alimta (LY231514, MTA) combined with doxorubicin in ZR-75-1 human breast carcinoma cells. Anticancer Res. 2001 Sep-Oct;21(5):3209-14.@@Hanauske AR, Chen V, Paoletti P, Niyikiza C: Pemetrexed disodium: a novel antifolate clinically active against multiple solid tumors. Oncologist. 2001;6(4):363-73.@@Molina JR, Adjei AA: The role of Pemetrexed (Alimta , LY231514) in lung cancer therapy. Clin Lung Cancer. 2003 Jul;5(1):21-7.@@Giovannetti E, Mey V, Nannizzi S, Pasqualetti G, Marini L, Del Tacca M, Danesi R: Cellular and pharmacogenetics foundation of synergistic interaction of pemetrexed and gemcitabine in human non-small-cell lung cancer cells. Mol Pharmacol. 2005 Jul;68(1):110-8. Epub 2005 Mar 28.@@Kindler HL: Pemetrexed in pancreatic cancer. Semin Oncol. 2002 Dec;29(6 Suppl 18):49-53.@@Adjei AA: Gemcitabine and Pemetrexed disodium in treating breast cancer. Oncology (Williston Park). 2001 Feb;15(2 Suppl 3):34-7.@@Pivot X, Raymond E, Laguerre B, Degardin M, Cals L, Armand JP, Lefebvre JL, Gedouin D, Ripoche V, Kayitalire L, Niyikiza C, Johnson R, Latz J, Schneider M: Pemetrexed disodium in recurrent locally advanced or metastatic squamous cell carcinoma of the head and neck. Br J Cancer. 2001 Sep 1;85(5):649-55.@@Adjei AA: Gemcitabine and pemetrexed disodium combinations in vitro and in vivo. Lung Cancer. 2001 Dec;34 Suppl 4:S103-5.@@Adjei AA: Pemetrexed in the treatment of selected solid tumors. Semin Oncol. 2002 Apr;29(2 Suppl 5):50-3.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Myelosuppressive Agents; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Antimetabolites; Amino Acids, Acidic; Amino Acids, Peptides, and Proteins; Folic Acid Analogues; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Antineoplastic Agents; Amino Acids; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Folic Acid Antagonists; Amino Acids, Dicarboxylic; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; Glutamates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N1 13326 46505640 D07472 PA10810 DCL000320 Pemetrexed CHEMBL225072 68446 DB00643 Mebendazole BE0001367 TUBB4B P68371 TBB4B_HUMAN inhibitor 8139621; 15500920; 11444621; 12099434; 17662615; 10592235 "Lubega GW, Geary TG, Klein RD, Prichard RK: Expression of cloned beta-tubulin genes of Haemonchus contortus in Escherichia coli: interaction of recombinant beta-tubulin with native tubulin and mebendazole. Mol Biochem Parasitol. 1993 Dec;62(2):281-92.@@MacDonald LM, Armson A, Thompson AR, Reynoldson JA: Characterisation of benzimidazole binding with recombinant tubulin from Giardia duodenalis, Encephalitozoon intestinalis, and Cryptosporidium parvum. Mol Biochem Parasitol. 2004 Nov;138(1):89-96.@@Oxberry ME, Gear TG, Prichard RK: Assessment of benzimidazole binding to individual recombinant tubulin isotypes from Haemonchus contortus. Parasitology. 2001 Jun;122(Pt 6):683-7.@@Ochola DO, Prichard RK, Lubega GW: Classical ligands bind tubulin of trypanosomes and inhibit their growth in vitro. J Parasitol. 2002 Jun;88(3):600-4.@@Wampande EM, Richard McIntosh J, Lubega GW: Classical ligands interact with native and recombinant tubulin from Onchocerca volvulus with similar rank order of magnitude. Protein Expr Purif. 2007 Oct;55(2):236-45. Epub 2007 Apr 25.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Vet_approved Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones "Mitosis Modulators; Tubulin Modulators; Anti-Infective Agents; Antihelminthic; Heterocyclic Compounds, Fused-Ring; Antimitotic Agents; Antiparasitic Products, Insecticides and Repellents; Carbamates; Acids, Acyclic; Anthelmintics; Benzimidazole Derivatives; Antinematodal Agents; Antiparasitic Agents; Benzimidazoles" COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C1=CC=CC=C1 2434 46508807 D00368 PA164776669 DAP000950 Mebendazole CHEMBL685 6672 DB00644 Gonadorelin BE0000203 GNRHR P30968 GNRHR_HUMAN agonist 15967801; 16962597; 16973761; 17002488; 17068198; 11752352 "Lu ZL, Gallagher R, Sellar R, Coetsee M, Millar RP: Mutations remote from the human gonadotropin-releasing hormone (GnRH) receptor-binding sites specifically increase binding affinity for GnRH II but not GnRH I: evidence for ligand-selective, receptor-active conformations. J Biol Chem. 2005 Aug 19;280(33):29796-803. Epub 2005 Jun 20.@@Moles G, Carrillo M, Mananos E, Mylonas CC, Zanuy S: Temporal profile of brain and pituitary GnRHs, GnRH-R and gonadotropin mRNA expression and content during early development in European sea bass (Dicentrarchus labrax L.). Gen Comp Endocrinol. 2007 Jan 1;150(1):75-86. Epub 2006 Sep 8.@@Mamputha S, Lu ZL, Roeske RW, Millar RP, Katz AA, Flanagan CA: Conserved amino acid residues that are important for ligand binding in the type I gonadotropin-releasing hormone (GnRH) receptor are required for high potency of GnRH II at the type II GnRH receptor. Mol Endocrinol. 2007 Jan;21(1):281-92. Epub 2006 Sep 14.@@Lee PA, Houk CP: Gonadotropin-releasing hormone analog therapy for central precocious puberty and other childhood disorders affecting growth and puberty. Treat Endocrinol. 2006;5(5):287-96.@@Bliss SP, Navratil AM, Breed M, Skinner DC, Clay CM, Roberson MS: Signaling complexes associated with the type I gonadotropin-releasing hormone (GnRH) receptor: colocalization of extracellularly regulated kinase 2 and GnRH receptor within membrane rafts. Mol Endocrinol. 2007 Feb;21(2):538-49. Epub 2006 Oct 26.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Vet_approved Polypeptides Organic compounds; Organic Polymers; Polypeptides "Pituitary Hormone-Releasing Hormones; Gonadotropin-releasing hormone agonist; Amino Acids, Peptides, and Proteins; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Gonadotropin-Releasing Hormone, antagonists & inhibitors; Nerve Tissue Proteins; Proteins; Hormones; Gonadotropin-Releasing Hormone, agonists; Diagnostic Agents; Adrenal Cortex Hormones; Oligopeptides; Neuropeptides; Peptides; Gonadotropins and Antigonadotropins; Tests for Fertility Disturbances; Peptide Hormones; Pituitary Function; Hypothalamic Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" CC(C)CC(NC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(N)=O 7362 46506144 PA449801 DAP001052 Gonadorelin CHEMBL1981292 6384 DB00647 Dextropropoxyphene BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 11752352; 10690289; 6249436; 9399970; 7562497; 19604717; 10379623 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ulens C, Daenens P, Tytgat J: Norpropoxyphene-induced cardiotoxicity is associated with changes in ion-selectivity and gating of HERG currents. Cardiovasc Res. 1999 Dec;44(3):568-78.@@Tyers MB: A classification of opiate receptors that mediate antinociception in animals. Br J Pharmacol. 1980 Jul;69(3):503-12.@@Picker MJ: Discriminative stimulus effects of the mixed-opioid agonist/antagonist dezocine: cross-substitution by mu and delta opioid agonists. J Pharmacol Exp Ther. 1997 Dec;283(3):1009-17.@@Codd EE, Shank RP, Schupsky JJ, Raffa RB: Serotonin and norepinephrine uptake inhibiting activity of centrally acting analgesics: structural determinants and role in antinociception. J Pharmacol Exp Ther. 1995 Sep;274(3):1263-70.@@Bannwarth B, Richez C: The dextropropoxyphene controversy. Joint Bone Spine. 2009 Oct;76(5):449-51. doi: 10.1016/j.jbspin.2009.04.004. Epub 2009 Jul 14.@@Walker EA, Tiano MJ, Benyas SI, Dykstra LA, Picker MJ: Naltrexone and beta-funaltrexamine antagonism of the antinociceptive and response rate-decreasing effects of morphine, dezocine, and d-propoxyphene. Psychopharmacology (Berl). 1999 May;144(1):45-53." Approved; Illicit; Investigational; Withdrawn Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); High-risk opioids; Opioid Agonist; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Propionates; Diphenylpropylamine Derivatives; Central Nervous System Agents; Nervous System; Opioids" CCC(=O)O[C@@](CC1=CC=CC=C1)([C@H](C)CN(C)C)C1=CC=CC=C1 Propoxyphene Action Pathway drug_action 2555 46506690 D07809 PA451142 DAP000017 Dextropropoxyphene CHEMBL1213351 8785 DB00647 Dextropropoxyphene BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 6151117 Neil A: Affinities of some common opioid analgesics towards four binding sites in mouse brain. Naunyn Schmiedebergs Arch Pharmacol. 1984 Nov;328(1):24-9. Approved; Illicit; Investigational; Withdrawn Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); High-risk opioids; Opioid Agonist; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Propionates; Diphenylpropylamine Derivatives; Central Nervous System Agents; Nervous System; Opioids" CCC(=O)O[C@@](CC1=CC=CC=C1)([C@H](C)CN(C)C)C1=CC=CC=C1 Propoxyphene Action Pathway drug_action 2555 46506690 D07809 PA451142 DAP000017 Dextropropoxyphene CHEMBL1213351 8785 DB00648 Mitotane BE0000123 ESR1 P03372 ESR1_HUMAN 14579009 "Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G: Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Anal Bioanal Chem. 2004 Feb;378(3):664-9. Epub 2003 Oct 25." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP3A5 Inducers (strong); Cytochrome P-450 CYP3A4 Inducers; Hydrocarbons, Chlorinated; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Inducers; Adrenal Cytotoxic Agents; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A7 Inducers (strong); Hydrocarbons, Halogenated; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs" ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl 2100 46508319 D00420 PA164746157 DAP000033 Mitotane CHEMBL1670 7004 DB00648 Mitotane BE0000557 PGR P06401 PRGR_HUMAN 14579009 "Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G: Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Anal Bioanal Chem. 2004 Feb;378(3):664-9. Epub 2003 Oct 25." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP3A5 Inducers (strong); Cytochrome P-450 CYP3A4 Inducers; Hydrocarbons, Chlorinated; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Inducers; Adrenal Cytotoxic Agents; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A7 Inducers (strong); Hydrocarbons, Halogenated; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs" ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl 2100 46508319 D00420 PA164746157 DAP000033 Mitotane CHEMBL1670 7004 DB00648 Mitotane BE0000132 AR P10275 ANDR_HUMAN antagonist 9705896 "Maness SC, McDonnell DP, Gaido KW: Inhibition of androgen receptor-dependent transcriptional activity by DDT isomers and methoxychlor in HepG2 human hepatoma cells. Toxicol Appl Pharmacol. 1998 Jul;151(1):135-42." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP3A5 Inducers (strong); Cytochrome P-450 CYP3A4 Inducers; Hydrocarbons, Chlorinated; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Inducers; Adrenal Cytotoxic Agents; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A7 Inducers (strong); Hydrocarbons, Halogenated; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs" ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl 2100 46508319 D00420 PA164746157 DAP000033 Mitotane CHEMBL1670 7004 DB00651 Dyphylline BE0000487 PDE4B Q07343 PDE4B_HUMAN inhibitor 17139284; 17016423; 225216; 7925603 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Iancu L, Shneur A, Cohen H: Trials with xanthine derivatives in systemic treatment of psoriasis. Dermatologica. 1979;159(1):55-61.@@Hariton C: Ocular hypotension induced by topical dopaminergic drugs and phosphodiesterase inhibitors. Eur J Pharmacol. 1994 Jun 2;258(1-2):85-94." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Vasodilating Agents; Purinones; Xanthine derivatives; Anti-Asthmatic Agents; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Respiratory System Agents; Xanthines and Adrenergics; Peripheral Nervous System Agents; Autonomic Agents; Phosphodiesterase Inhibitors" CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O 6711 46504443 D00691 PA164748027 DAP000596 Diprophylline CHEMBL1752 3714 DB00651 Dyphylline BE0001133 PDE4A P27815 PDE4A_HUMAN inhibitor 17139284; 17016423; 11752352; 225216; 7925603 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Iancu L, Shneur A, Cohen H: Trials with xanthine derivatives in systemic treatment of psoriasis. Dermatologica. 1979;159(1):55-61.@@Hariton C: Ocular hypotension induced by topical dopaminergic drugs and phosphodiesterase inhibitors. Eur J Pharmacol. 1994 Jun 2;258(1-2):85-94." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Vasodilating Agents; Purinones; Xanthine derivatives; Anti-Asthmatic Agents; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Respiratory System Agents; Xanthines and Adrenergics; Peripheral Nervous System Agents; Autonomic Agents; Phosphodiesterase Inhibitors" CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O 6711 46504443 D00691 PA164748027 DAP000596 Diprophylline CHEMBL1752 3714 DB00651 Dyphylline BE0001287 PDE4D Q08499 PDE4D_HUMAN inhibitor 17139284; 17016423; 7925603 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Hariton C: Ocular hypotension induced by topical dopaminergic drugs and phosphodiesterase inhibitors. Eur J Pharmacol. 1994 Jun 2;258(1-2):85-94." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Vasodilating Agents; Purinones; Xanthine derivatives; Anti-Asthmatic Agents; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Respiratory System Agents; Xanthines and Adrenergics; Peripheral Nervous System Agents; Autonomic Agents; Phosphodiesterase Inhibitors" CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O 6711 46504443 D00691 PA164748027 DAP000596 Diprophylline CHEMBL1752 3714 DB00651 Dyphylline BE0000924 ADORA2A P29274 AA2AR_HUMAN antagonist 2997628 "Schwabe U, Ukena D, Lohse MJ: Xanthine derivatives as antagonists at A1 and A2 adenosine receptors. Naunyn Schmiedebergs Arch Pharmacol. 1985 Sep;330(3):212-21." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Vasodilating Agents; Purinones; Xanthine derivatives; Anti-Asthmatic Agents; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Respiratory System Agents; Xanthines and Adrenergics; Peripheral Nervous System Agents; Autonomic Agents; Phosphodiesterase Inhibitors" CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O 6711 46504443 D00691 PA164748027 DAP000596 Diprophylline CHEMBL1752 3714 DB00652 Pentazocine BE0000770 OPRM1 P35372 OPRM_HUMAN antagonist 3419842; 6094791; 8042002; 8968334; 2286420 "Levine JD, Gordon NC: Synergism between the analgesic actions of morphine and pentazocine. Pain. 1988 Jun;33(3):369-72.@@Martin BR, Katzen JS, Woods JA, Tripathi HL, Harris LS, May EL: Stereoisomers of [3H]-N-allylnormetazocine bind to different sites in mouse brain. J Pharmacol Exp Ther. 1984 Dec;231(3):539-44.@@Kamei J, Iwamoto Y, Misawa M, Nagase H, Kasuya Y: Effects of diabetes on the antinociceptive effect of (+/-)pentazocine in mice. Res Commun Chem Pathol Pharmacol. 1994 Apr;84(1):105-10.@@Picker MJ, Benyas S, Horwitz JA, Thompson K, Mathewson C, Smith MA: Discriminative stimulus effects of butorphanol: influence of training dose on the substitution patterns produced by Mu, Kappa and Delta opioid agonists. J Pharmacol Exp Ther. 1996 Dec;279(3):1130-41.@@Saha N, Datta H, Sharma PL: Effects of morphine, buprenorphine, pentazocine and nalorphine on acquisition and extinction of active avoidance responses in rats. Indian J Physiol Pharmacol. 1990 Jul;34(3):179-82." Approved; Vet_approved "Sensory System Agents; Benzomorphans; Narcotics; Opiate Partial Agonists; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Partial Opioid Agonist/Antagonist; Central Nervous System Depressants; Alkaloids; P-glycoprotein substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Peripheral Nervous System Agents; Analgesics; Benzomorphan Derivatives; Adjuvants, Anesthesia; Phenanthrenes; Morphinans; Central Nervous System Agents; Mixed Agonist / Antagonist Opioids; Nervous System; Opiate Alkaloids; Opioids" CC1C2CC3=C(C=C(O)C=C3)C1(C)CCN2CC=C(C)C Pentazocine Action Pathway drug_action 9401 46506363 D00498 PA164744326 DAP000356 Pentazocine CHEMBL100116 8001 DB00653 Magnesium sulfate BE0008715 CACNA1C O00555 CAC1A_HUMAN inhibitor 16157690; 11300616; 8410712; 26422671; 19933511 "Brunet S, Scheuer T, Klevit R, Catterall WA: Modulation of CaV1.2 channels by Mg2+ acting at an EF-hand motif in the COOH-terminal domain. J Gen Physiol. 2005 Oct;126(4):311-23. doi: 10.1085/jgp.200509333. Epub 2005 Sep 12.@@Bara M, Guiet-Bara A: Magnesium regulation of Ca2+ channels in smooth muscle and endothelial cells of human allantochorial placental vessels. Magnes Res. 2001 Mar;14(1-2):11-8.@@Kuo CC, Hess P: Block of the L-type Ca2+ channel pore by external and internal Mg2+ in rat phaeochromocytoma cells. J Physiol. 1993 Jul;466:683-706.@@Zhao M, Feng R, Shao D, Liu S, Lei M, Wang H, Sun X, Guo F, Hu H, Kameyama M, Hao L: Mg(2+)-dependent facilitation and inactivation of L-type Ca(2+) channels in guinea pig ventricular myocytes. J Pharmacol Sci. 2015 Nov;129(3):143-9. doi: 10.1016/j.jphs.2015.08.001. Epub 2015 Aug 7.@@Lin CY, Tsai PS, Hung YC, Huang CJ: L-type calcium channels are involved in mediating the anti-inflammatory effects of magnesium sulphate. Br J Anaesth. 2010 Jan;104(1):44-51. doi: 10.1093/bja/aep336." Approved; Investigational; Vet_approved Alkaline earth metal sulfates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal sulfates "Blood Substitutes and Perfusion Solutions; Sensory System Agents; Agents that produce neuromuscular block (indirect); Magnesium Salts; Dermatologicals; Electrolyte Solutions; Tocolytic Agents; Metal cations; Tests for Bile Duct Patency; Miscellaneous Anticonvulsants; Cardiovascular Agents; I.V. Solution Additives; Osmotic Laxatives; Central Nervous System Depressants; Agents causing hyperkalemia; Mineral Supplements; Calcium Channel Blockers; Anesthetics; Membrane Transport Modulators; Alimentary Tract and Metabolism; Laxatives, magnesium containing; Diagnostic Agents; Replacement Preparations; Blood and Blood Forming Organs; Magnesium Compounds; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Sulfur Acids; Peripheral Nervous System Agents; Analgesics; Antiarrhythmic agents; Central Nervous System Agents; Metal divalent cations; Laxatives; Sulfates; Bradycardia-Causing Agents; Sulfur Compounds; Sulfuric Acids; Anticonvulsants; Reproductive Control Agents; Drugs for Constipation" [Mg++].[O-]S([O-])(=O)=O 6487 46508411 D01108 PA450302 DAP000201 Magnesium_sulfate CHEMBL2021423 1311625 DB00655 Estrone BE0000123 ESR1 P03372 ESR1_HUMAN agonist 12547192; 2011412; 11752352 "Margeat E, Bourdoncle A, Margueron R, Poujol N, Cavailles V, Royer C: Ligands differentially modulate the protein interactions of the human estrogen receptors alpha and beta. J Mol Biol. 2003 Feb 7;326(1):77-92.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Ketosteroids; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2B6 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Estranes; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Fused-Ring Compounds; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; 17-Ketosteroids; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Androstenedione Metabolism; Sulfite Oxidase Deficiency; Estrone Metabolism; Aromatase Deficiency; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androgen and Estrogen Metabolism; Sulfate/Sulfite Metabolism disease; metabolic 7445 46505916 D00067 PA449512 DAP001020 Estrone CHEMBL1405 4103 DB00655 Estrone BE0000792 ESR2 Q92731 ESR2_HUMAN 11518614; 19913605 "Gutendorf B, Westendorf J: Comparison of an array of in vitro assays for the assessment of the estrogenic potential of natural and synthetic estrogens, phytoestrogens and xenoestrogens. Toxicology. 2001 Sep 14;166(1-2):79-89.@@Dang Z: Comparison of relative binding affinities to fish and mammalian estrogen receptors: the regulatory implications. Toxicol Lett. 2010 Feb 15;192(3):298-315. doi: 10.1016/j.toxlet.2009.11.004. Epub 2009 Nov 12." Approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Ketosteroids; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2B6 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Estranes; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Fused-Ring Compounds; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; 17-Ketosteroids; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Androstenedione Metabolism; Sulfite Oxidase Deficiency; Estrone Metabolism; Aromatase Deficiency; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androgen and Estrogen Metabolism; Sulfate/Sulfite Metabolism disease; metabolic 7445 46505916 D00067 PA449512 DAP001020 Estrone CHEMBL1405 4103 DB00655 Estrone BE0000132 AR P10275 ANDR_HUMAN 12676605 "Kojima H, Iida M, Katsura E, Kanetoshi A, Hori Y, Kobayashi K: Effects of a diphenyl ether-type herbicide, chlornitrofen, and its amino derivative on androgen and estrogen receptor activities. Environ Health Perspect. 2003 Apr;111(4):497-502." Approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Ketosteroids; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2B6 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Estranes; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Fused-Ring Compounds; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; 17-Ketosteroids; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Androstenedione Metabolism; Sulfite Oxidase Deficiency; Estrone Metabolism; Aromatase Deficiency; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androgen and Estrogen Metabolism; Sulfate/Sulfite Metabolism disease; metabolic 7445 46505916 D00067 PA449512 DAP001020 Estrone CHEMBL1405 4103 DB00655 Estrone BE0002090 CYP19A1 P11511 CP19A_HUMAN 16039845 "Numazawa M, Ando M, Watari Y, Tominaga T, Hayata Y, Yoshimura A: Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors. J Steroid Biochem Mol Biol. 2005 Jun;96(1):51-8." Approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Ketosteroids; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2B6 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Estranes; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Fused-Ring Compounds; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; 17-Ketosteroids; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Androstenedione Metabolism; Sulfite Oxidase Deficiency; Estrone Metabolism; Aromatase Deficiency; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androgen and Estrogen Metabolism; Sulfate/Sulfite Metabolism disease; metabolic 7445 46505916 D00067 PA449512 DAP001020 Estrone CHEMBL1405 4103 DB00655 Estrone BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Ketosteroids; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2B6 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Estranes; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Fused-Ring Compounds; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; 17-Ketosteroids; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Androstenedione Metabolism; Sulfite Oxidase Deficiency; Estrone Metabolism; Aromatase Deficiency; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androgen and Estrogen Metabolism; Sulfate/Sulfite Metabolism disease; metabolic 7445 46505916 D00067 PA449512 DAP001020 Estrone CHEMBL1405 4103 DB00656 Trazodone BE0000533 HTR2C P28335 5HT2C_HUMAN agonist 7659770; 3039120; 10594316; 1365657; 15614572 "Fiorella D, Rabin RA, Winter JC: The role of the 5-HT2A and 5-HT2C receptors in the stimulus effects of m-chlorophenylpiperazine. Psychopharmacology (Berl). 1995 May;119(2):222-30.@@Conn PJ, Sanders-Bush E: Relative efficacies of piperazines at the phosphoinositide hydrolysis-linked serotonergic (5-HT-2 and 5-HT-1c) receptors. J Pharmacol Exp Ther. 1987 Aug;242(2):552-7.@@Pazzagli M, Giovannini MG, Pepeu G: Trazodone increases extracellular serotonin levels in the frontal cortex of rats. Eur J Pharmacol. 1999 Nov 3;383(3):249-57. doi: 10.1016/s0014-2999(99)00644-5.@@Marek GJ, McDougle CJ, Price LH, Seiden LS: A comparison of trazodone and fluoxetine: implications for a serotonergic mechanism of antidepressant action. Psychopharmacology (Berl). 1992;109(1-2):2-11.@@Balsara JJ, Jadhav SA, Gaonkar RK, Gaikwad RV, Jadhav JH: Effects of the antidepressant trazodone, a 5-HT 2A/2C receptor antagonist, on dopamine-dependent behaviors in rats. Psychopharmacology (Berl). 2005 May;179(3):597-605. doi: 10.1007/s00213-004-2095-0. Epub 2004 Dec 22." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; P-glycoprotein inducers; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Pyridines; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Psychoanaleptics; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Pyridones; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Serotonin antagonist and reuptake inhibitors (SARIs); Antidepressive Agents, Second-Generation; Antidepressive Agents, Triazolopyridine" ClC1=CC=CC(=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1 11748 46506648 D08626 PA451744 DAP000104 Trazodone CHEMBL621 10737 DB00656 Trazodone BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 6086881; 1353628 "Richelson E, Nelson A: Antagonism by antidepressants of neurotransmitter receptors of normal human brain in vitro. J Pharmacol Exp Ther. 1984 Jul;230(1):94-102.@@Noguchi S, Inukai T, Kuno T, Tanaka C: The suppression of olfactory bulbectomy-induced muricide by antidepressants and antihistamines via histamine H1 receptor blocking. Physiol Behav. 1992 Jun;51(6):1123-7." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; P-glycoprotein inducers; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Pyridines; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Psychoanaleptics; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Pyridones; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Serotonin antagonist and reuptake inhibitors (SARIs); Antidepressive Agents, Second-Generation; Antidepressive Agents, Triazolopyridine" ClC1=CC=CC(=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1 11748 46506648 D08626 PA451744 DAP000104 Trazodone CHEMBL621 10737 DB00657 Mecamylamine BE0000849 CHRNA4 P43681 ACHA4_HUMAN 14645658 "Eaton JB, Peng JH, Schroeder KM, George AA, Fryer JD, Krishnan C, Buhlman L, Kuo YP, Steinlein O, Lukas RJ: Characterization of human alpha 4 beta 2-nicotinic acetylcholine receptors stably and heterologously expressed in native nicotinic receptor-null SH-EP1 human epithelial cells. Mol Pharmacol. 2003 Dec;64(6):1283-94." Approved; Investigational Bicyclic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids "Agents that produce neuromuscular block (indirect); Nicotinic Antagonists; Secondary and Tertiary Amines; Antihypertensive Agents; Cholinergic Agents; Autonomic Agents; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Bridged-Ring Compounds; Drugs that are Mainly Renally Excreted; Anticholinergic Agents; Decreased Autonomic Ganglionic Activity; Peripheral Nervous System Agents; Norbornanes; Antiadrenergic Agents, Ganglion-Blocking; Neurotransmitter Agents; Ganglion Blockers" CNC1(C)C2CCC(C2)C1(C)C 46508607 PA450334 DAP000027 Mecamylamine CHEMBL267936 6673 DB00659 Acamprosate BE0001192 GRM5 P41594 GRM5_HUMAN antagonist 15963001; 18377703 "De Witte P, Littleton J, Parot P, Koob G: Neuroprotective and abstinence-promoting effects of acamprosate: elucidating the mechanism of action. CNS Drugs. 2005;19(6):517-37.@@Blednov YA, Harris RA: Metabotropic glutamate receptor 5 (mGluR5) regulation of ethanol sedation, dependence and consumption: relationship to acamprosate actions. Int J Neuropsychopharmacol. 2008 Sep;11(6):775-93. doi: 10.1017/S1461145708008584. Epub 2008 Apr 1." Approved; Investigational Organosulfonic acids Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives "Drugs Used in Addictive Disorders; Hydrocarbons, Acyclic; Sulfur Acids; Drugs Used in Alcohol Dependence; Central Nervous System Agents; OAT3/SLC22A8 Substrates; Nervous System; Sulfur Compounds; Sulfonic Acids; OAT1/SLC22A6 inhibitors; Miscellaneous Central Nervous System Agents; Alcohol Deterrents" CC(=O)NCCCS(O)(=O)=O 20124 46506657 D07058 PA10344 DAP000857 Acamprosate CHEMBL1201293 82819 DB00661 Verapamil BE0000430 CACNA1C Q13936 CAC1C_HUMAN inhibitor 15286207; 9846638; 15880143; 19125880 "Dilmac N, Hilliard N, Hockerman GH: Molecular determinants of frequency dependence and Ca2+ potentiation of verapamil block in the pore region of Cav1.2. Mol Pharmacol. 2004 Nov;66(5):1236-47. Epub 2004 Jul 30.@@Morel N, Buryi V, Feron O, Gomez JP, Christen MO, Godfraind T: The action of calcium channel blockers on recombinant L-type calcium channel alpha1-subunits. Br J Pharmacol. 1998 Nov;125(5):1005-12.@@Patel MK, Clunn GF, Lymn JS, Austin O, Hughes AD: Effect of serum withdrawal on the contribution of L-type calcium channels (CaV1.2) to intracellular Ca2+ responses and chemotaxis in cultured human vascular smooth muscle cells. Br J Pharmacol. 2005 Jul;145(6):811-7.@@Tfelt-Hansen P, Tfelt-Hansen J: Verapamil for cluster headache. Clinical pharmacology and possible mode of action. Headache. 2009 Jan;49(1):117-25. doi: 10.1111/j.1526-4610.2008.01298.x." Approved Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Miscellaneous Calcium-channel Blocking Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Phenylalkylamine Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; MATE inhibitors; Verapamil and analogues; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; MATE 2 Inhibitors; OCT1 inhibitors; Bradycardia-Causing Agents; Selective Calcium Channel Blockers With Direct Cardiac Effects; Cytochrome P-450 CYP1A2 Substrates COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1 Verapamil Action Pathway drug_action 10110 46508158 D02356 PA451868 DAP000040 Verapamil CHEMBL6966 11170 DB00661 Verapamil BE0002226 CACNA1B Q00975 CAC1B_HUMAN inhibitor 10385261 "Dobrev D, Milde AS, Andreas K, Ravens U: The effects of verapamil and diltiazem on N-, P- and Q-type calcium channels mediating dopamine release in rat striatum. Br J Pharmacol. 1999 May;127(2):576-82. doi: 10.1038/sj.bjp.0702574." Approved Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Miscellaneous Calcium-channel Blocking Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Phenylalkylamine Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; MATE inhibitors; Verapamil and analogues; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; MATE 2 Inhibitors; OCT1 inhibitors; Bradycardia-Causing Agents; Selective Calcium Channel Blockers With Direct Cardiac Effects; Cytochrome P-450 CYP1A2 Substrates COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1 Verapamil Action Pathway drug_action 10110 46508158 D02356 PA451868 DAP000040 Verapamil CHEMBL6966 11170 DB00661 Verapamil BE0000356 CACNA1A O00555 CAC1A_HUMAN inhibitor 10385261 "Dobrev D, Milde AS, Andreas K, Ravens U: The effects of verapamil and diltiazem on N-, P- and Q-type calcium channels mediating dopamine release in rat striatum. Br J Pharmacol. 1999 May;127(2):576-82. doi: 10.1038/sj.bjp.0702574." Approved Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Miscellaneous Calcium-channel Blocking Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Phenylalkylamine Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; MATE inhibitors; Verapamil and analogues; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; MATE 2 Inhibitors; OCT1 inhibitors; Bradycardia-Causing Agents; Selective Calcium Channel Blockers With Direct Cardiac Effects; Cytochrome P-450 CYP1A2 Substrates COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1 Verapamil Action Pathway drug_action 10110 46508158 D02356 PA451868 DAP000040 Verapamil CHEMBL6966 11170 DB00661 Verapamil BE0000864 CACNA1H O95180 CAC1H_HUMAN inhibitor 18974361 "Perez-Reyes E, Van Deusen AL, Vitko I: Molecular pharmacology of human Cav3.2 T-type Ca2+ channels: block by antihypertensives, antiarrhythmics, and their analogs. J Pharmacol Exp Ther. 2009 Feb;328(2):621-7. doi: 10.1124/jpet.108.145672. Epub 2008 Oct 30." Approved Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Miscellaneous Calcium-channel Blocking Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Phenylalkylamine Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; MATE inhibitors; Verapamil and analogues; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; MATE 2 Inhibitors; OCT1 inhibitors; Bradycardia-Causing Agents; Selective Calcium Channel Blockers With Direct Cardiac Effects; Cytochrome P-450 CYP1A2 Substrates COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1 Verapamil Action Pathway drug_action 10110 46508158 D02356 PA451868 DAP000040 Verapamil CHEMBL6966 11170 DB00661 Verapamil BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 9570190 "Shibata K, Hirasawa A, Foglar R, Ogawa S, Tsujimoto G: Effects of quinidine and verapamil on human cardiovascular alpha1-adrenoceptors. Circulation. 1998 Apr 7;97(13):1227-30." Approved Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Miscellaneous Calcium-channel Blocking Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Phenylalkylamine Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; MATE inhibitors; Verapamil and analogues; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; MATE 2 Inhibitors; OCT1 inhibitors; Bradycardia-Causing Agents; Selective Calcium Channel Blockers With Direct Cardiac Effects; Cytochrome P-450 CYP1A2 Substrates COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1 Verapamil Action Pathway drug_action 10110 46508158 D02356 PA451868 DAP000040 Verapamil CHEMBL6966 11170 DB00661 Verapamil BE0004902 CACNG1 Q9P0X4 CAC1I_HUMAN inhibitor 18091748 "Shima E, Katsube M, Kato T, Kitagawa M, Hato F, Hino M, Takahashi T, Fujita H, Kitagawa S: Calcium channel blockers suppress cytokine-induced activation of human neutrophils. Am J Hypertens. 2008 Jan;21(1):78-84. doi: 10.1038/ajh.2007.13." Approved Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Miscellaneous Calcium-channel Blocking Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Phenylalkylamine Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; MATE inhibitors; Verapamil and analogues; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; MATE 2 Inhibitors; OCT1 inhibitors; Bradycardia-Causing Agents; Selective Calcium Channel Blockers With Direct Cardiac Effects; Cytochrome P-450 CYP1A2 Substrates COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1 Verapamil Action Pathway drug_action 10110 46508158 D02356 PA451868 DAP000040 Verapamil CHEMBL6966 11170 DB00661 Verapamil BE0001032 ABCB1 P08183 MDR1_HUMAN inhibitor 16077962 "Asakura T, Imai A, Ohkubo-Uraoka N, Kuroda M, Iidaka Y, Uchida K, Shibasaki T, Ohkawa K: Relationship between expression of drug-resistance factors and drug sensitivity in normal human renal proximal tubular epithelial cells in comparison with renal cell carcinoma. Oncol Rep. 2005 Sep;14(3):601-7." Approved Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Miscellaneous Calcium-channel Blocking Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Phenylalkylamine Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; MATE inhibitors; Verapamil and analogues; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; MATE 2 Inhibitors; OCT1 inhibitors; Bradycardia-Causing Agents; Selective Calcium Channel Blockers With Direct Cardiac Effects; Cytochrome P-450 CYP1A2 Substrates COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1 Verapamil Action Pathway drug_action 10110 46508158 D02356 PA451868 DAP000040 Verapamil CHEMBL6966 11170 DB00663 Flumethasone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 17139284; 17016423; 16079279; 20920967 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Maier C, Runzler D, Schindelar J, Grabner G, Waldhausl W, Kohler G, Luger A: G-protein-coupled glucocorticoid receptors on the pituitary cell membrane. J Cell Sci. 2005 Aug 1;118(Pt 15):3353-61.@@Labeur M, Holsboer F: Molecular mechanisms of glucocorticoid receptor signaling. Medicina (B Aires). 2010;70(5):457-62." Approved; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Substrates; Sensory Organs; Steroids; Pregnadienetriols; Hormones; Otologicals; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Pregnadienes; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C 7573 46505121 D04208 PA164749388 DAP000814 Flumetasone CHEMBL1201392 4458 DB00665 Nilutamide BE0000132 AR P10275 ANDR_HUMAN antagonist 3071951; 3320565; 6374639; 11752352; 20541672; 12497048; 12497018; 12496872; 16986000 "Raynaud JP: Antiandrogens in combination with LH-RH agonists in prostate cancer. Am J Clin Oncol. 1988;11 Suppl 2:S132-47.@@Moguilewsky M, Bertagna C, Hucher M: Pharmacological and clinical studies of the antiandrogen Anandron. J Steroid Biochem. 1987;27(4-6):871-5.@@Raynaud JP, Bonne C, Moguilewsky M, Lefebvre FA, Belanger A, Labrie F: The pure antiandrogen RU 23908 (Anandron), a candidate of choice for the combined antihormonal treatment of prostatic cancer: a review. Prostate. 1984;5(3):299-311.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Labrie F: Hormonal therapy of prostate cancer. Prog Brain Res. 2010;182:321-41. doi: 10.1016/S0079-6123(10)82014-X.@@Schasfoort EM, Van De Beek C, Newling DW: Safety and efficacy of a non-steroidal anti-androgen, based on results of a post marketing surveillance of nilutamide. Prostate Cancer Prostatic Dis. 2001;4(2):112-117.@@Kaisary AV, Iversen P, Tyrrell CJ, Carroll K, Morris T: Is there a role for antiandrogen monotherapy in patients with metastatic prostate cancer? Prostate Cancer Prostatic Dis. 2001;4(4):196-203.@@Kolvenbag GJ, Furr BJ, Blackledge GR: Receptor affinity and potency of non-steroidal antiandrogens: translation of preclinical findings into clinical activity. Prostate Cancer Prostatic Dis. 1998 Dec;1(6):307-314.@@Brawer MK, Crawford ED, Labrie F, Mendoza-Valdes A, Miller PD, Petrylak DP: Androgen deprivation and other treatments for advanced prostate cancer. Rev Urol. 2001;3 Suppl 2:S59-68." Approved; Investigational Phenylhydantoins Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines "Antiandrogens, non-steroidal; Hormone Antagonists; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Androgen Receptor Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 Enzyme Inhibitors; Imidazoles; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Antiandrogens; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Androgen Receptor Antagonists; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Cytochrome P-450 CYP2C19 Inhibitors; Hormone Antagonists and Related Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F 1243 46505381 D00965 PA450632 DAP000302 Nilutamide CHEMBL1274 31805 DB00666 Nafarelin BE0000203 GNRHR P30968 GNRHR_HUMAN agonist 2137975; 14687742; 14644830; 17097577; 9622415; 7996307; 1830521; 2140979; 2151003; 11752352 "Barbieri RL: Comparison of the pharmacology of nafarelin and danazol. Am J Obstet Gynecol. 1990 Feb;162(2):581-5.@@Suh J, Lee E, Hwang S, Yoon S, Yoon BK, Bae D, Choi D: Dose of GnRH agonist (nafarelin acetate) affects intrafollicular PAPP-A expression in controlled ovarian hyperstimulation cycle. Eur J Obstet Gynecol Reprod Biol. 2004 Jan 15;112(1):65-8.@@Valle RF, Sciarra JJ: Endometriosis: treatment strategies. Ann N Y Acad Sci. 2003 Nov;997:229-39.@@Batzer FR: GnRH analogs: options for endometriosis-associated pain treatment. J Minim Invasive Gynecol. 2006 Nov-Dec;13(6):539-45.@@Hugues JN, Cedrin Durnerin IC: Revisiting gonadotrophin-releasing hormone agonist protocols and management of poor ovarian responses to gonadotrophins. Hum Reprod Update. 1998 Jan-Feb;4(1):83-101.@@Garner C: Uses of GnRH agonists. J Obstet Gynecol Neonatal Nurs. 1994 Sep;23(7):563-70.@@Saltiel E, Garabedian-Ruffalo SM: Pharmacologic management of endometriosis. Clin Pharm. 1991 Jul;10(7):518-31.@@Chrisp P, Goa KL: Nafarelin. A review of its pharmacodynamic and pharmacokinetic properties, and clinical potential in sex hormone-related conditions. Drugs. 1990 Apr;39(4):523-51.@@Letassy NA, Thompson DF, Britton ML, Suda RR Sr: Nafarelin acetate: a gonadotropin-releasing hormone agonist for the treatment of endometriosis. DICP. 1990 Dec;24(12):1204-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Polypeptides Organic compounds; Organic Polymers; Polypeptides "Pituitary Hormone-Releasing Hormones; Fertility Agents, Female; Gonadotropin-releasing hormone agonist; Gonadotropin Releasing Hormone Receptor Agonist; Amino Acids, Peptides, and Proteins; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Nerve Tissue Proteins; Proteins; Fertility Agents; Hormones; Reproductive Control Agents; Agents Causing Muscle Toxicity; Adrenal Cortex Hormones; Oligopeptides; Gonadotropin Releasing Hormone Receptor Agonists; Neuropeptides; Peptides; Gonadotropins and Antigonadotropins; Peptide Hormones; Hypothalamic Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" CC(C)C[C@H](NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O 7329 46506496 PA164754805 DAP001051 Nafarelin CHEMBL1201309 28656 DB00668 Epinephrine BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 20954794; 19730427; 20412040; 20857090 "Cotecchia S: The alpha1-adrenergic receptors: diversity of signaling networks and regulation. J Recept Signal Transduct Res. 2010 Dec;30(6):410-9. doi: 10.3109/10799893.2010.518152. Epub 2010 Oct 18.@@Shieh JP, Chu CC, Wang JJ, Lin MT: Epinephrine, phenylephrine, and methoxamine induce infiltrative anesthesia via alpha1-adrenoceptors in rats. Acta Pharmacol Sin. 2009 Sep;30(9):1227-36. doi: 10.1038/aps.2009.129.@@Du L, Li M: Modeling the interactions between alpha(1)-adrenergic receptors and their antagonists. Curr Comput Aided Drug Des. 2010 Sep;6(3):165-78.@@Jensen BC, Swigart PM, Montgomery MD, Simpson PC: Functional alpha-1B adrenergic receptors on human epicardial coronary artery endothelial cells. Naunyn Schmiedebergs Arch Pharmacol. 2010 Dec;382(5-6):475-82. doi: 10.1007/s00210-010-0558-x. Epub 2010 Sep 22." Approved; Vet_approved Catechols Organic compounds; Benzenoids; Phenols; Benzenediols "Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Adrenergic alpha-Agonists; Anti-Asthmatic Agents; Biogenic Amines; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Dental Agents; Epinephrine and similars; OCT1 substrates; OCT2 Substrates; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Local Hemostatics; Antiglaucoma Preparations and Miotics; Bronchodilator Agents; Vasoconstrictor Agents; Drugs for Obstructive Airway Diseases; Stomatological Preparations; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Adrenergic Agonists; Sympathomimetic (Adrenergic) Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Adrenergics, Inhalants; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Mydriatics; Sympathomimetics; Agents that produce hypertension; COMT Substrates; Respiratory System Agents; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Sympathomimetics in Glaucoma Therapy; Ophthalmologicals; Cardiac Therapy; Catechols; Adrenergic beta-3 Receptor Agonists; Biogenic Monoamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Sympathomimetics, Plain; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents" CNC[C@H](O)C1=CC(O)=C(O)C=C1 "Tyrosine Metabolism; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Monoamine Oxidase-A Deficiency (MAO-A); Catecholamine Biosynthesis; Tyrosinemia, Transient, of the Newborn; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Epinephrine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency" disease; metabolic; drug_action 8921 46509097 D00095 PA449470 DAP000066 Adrenaline CHEMBL679 3992 DB00673 Aprepitant BE0000384 TACR1 P25103 NK1R_HUMAN antagonist 11752352; 12590540; 17643344; 12784346; 12227806; 15121485 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Brands KM, Payack JF, Rosen JD, Nelson TD, Candelario A, Huffman MA, Zhao MM, Li J, Craig B, Song ZJ, Tschaen DM, Hansen K, Devine PN, Pye PJ, Rossen K, Dormer PG, Reamer RA, Welch CJ, Mathre DJ, Tsou NN, McNamara JM, Reider PJ: Efficient synthesis of NK(1) receptor antagonist aprepitant using a crystallization-induced diastereoselective transformation. J Am Chem Soc. 2003 Feb 26;125(8):2129-35.@@Rodgers J, Bradley B, Kennedy PG: Combination chemotherapy with a substance P receptor antagonist (aprepitant) and melarsoprol in a mouse model of human African trypanosomiasis. Parasitol Int. 2007 Dec;56(4):321-4. Epub 2007 Jun 29.@@Poli-Bigelli S, Rodrigues-Pereira J, Carides AD, Julie Ma G, Eldridge K, Hipple A, Evans JK, Horgan KJ, Lawson F: Addition of the neurokinin 1 receptor antagonist aprepitant to standard antiemetic therapy improves control of chemotherapy-induced nausea and vomiting. Results from a randomized, double-blind, placebo-controlled trial in Latin America. Cancer. 2003 Jun 15;97(12):3090-8.@@Zhao MM, McNamara JM, Ho GJ, Emerson KM, Song ZJ, Tschaen DM, Brands KM, Dolling UH, Grabowski EJ, Reider PJ, Cottrell IF, Ashwood MS, Bishop BC: Practical asymmetric synthesis of aprepitant, a potent human NK-1 receptor antagonist, via a stereoselective Lewis acid-catalyzed trans acetalization reaction. J Org Chem. 2002 Sep 20;67(19):6743-7.@@Bergstrom M, Hargreaves RJ, Burns HD, Goldberg MR, Sciberras D, Reines SA, Petty KJ, Ogren M, Antoni G, Langstrom B, Eskola O, Scheinin M, Solin O, Majumdar AK, Constanzer ML, Battisti WP, Bradstreet TE, Gargano C, Hietala J: Human positron emission tomography studies of brain neurokinin 1 receptor occupancy by aprepitant. Biol Psychiatry. 2004 May 15;55(10):1007-12." Approved; Investigational Phenylmorpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Aprepitant and Prodrugs; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Neurokinin-1 Receptor Antagonists; Oxazines; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Substance P/Neurokinin-1 Receptor Antagonist; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C9 Inhibitors (weak); Morpholines; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Neurokinin 1 Antagonists; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Peripheral Nervous System Agents; Cytochrome P-450 CYP3A7 Inhibitors; Antiemetics and Antinauseants; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Antiemetics; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates C[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F 20156 46505211 D02968 PA164747039 DNC000952 Aprepitant CHEMBL1471 358255 DB00674 Galantamine BE0002180 BCHE P06276 CHLE_HUMAN inhibitor 17159811; 11888344; 19811027; 12177686 "Svoboda Z, Kvetina J, Kunesova G, Herink J, Bajgar J, Bartosova L, Zivny P, Palicka V: Effect of galantamine on acetylcholinesterase and butyrylcholinesterase activities in the presence of L-carnitine in rat selected brain and peripheral tissues. Neuro Endocrinol Lett. 2006 Dec;27 Suppl 2:183-6.@@Giacobini E: Selective inhibitors of butyrylcholinesterase: a valid alternative for therapy of Alzheimer's disease? Drugs Aging. 2001;18(12):891-8.@@Wilkinson DG: Galantamine: a new treatment for Alzheimer's disease. Expert Rev Neurother. 2001 Nov;1(2):153-9. doi: 10.1586/14737175.1.2.153.@@Lilienfeld S: Galantamine--a novel cholinergic drug with a unique dual mode of action for the treatment of patients with Alzheimer's disease. CNS Drug Rev. 2002 Summer;8(2):159-76." Approved Galanthamine-type amaryllidaceae alkaloids Organic compounds; Alkaloids and derivatives; Amaryllidaceae alkaloids; Galanthamine-type amaryllidaceae alkaloids "QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Anti-Dementia Drugs; Autonomic Agents; Cytochrome P-450 Substrates; Alkaloids; Psychoanaleptics; P-glycoprotein inhibitors; Parasympathomimetics; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Amaryllidaceae Alkaloids; Peripheral Nervous System Agents; Nootropic Agents; Benzazepines; Parasympathomemetic (Cholinergic) Agents; Central Nervous System Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System" [H][C@]12C[C@@H](O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OC)C=C3 12329 46505659 D04292 PA449726 DAP000559 Galantamine CHEMBL659 4637 DB00675 Tamoxifen BE0000123 ESR1 P03372 ESR1_HUMAN antagonist 11752352; 2011412; 11906441; 20512796 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Fabian CJ, Kimler BF: Chemoprevention for high-risk women: tamoxifen and beyond. Breast J. 2001 Sep-Oct;7(5):311-20.@@Cyrus K, Wehenkel M, Choi EY, Lee H, Swanson H, Kim KB: Jostling for position: optimizing linker location in the design of estrogen receptor-targeting PROTACs. ChemMedChem. 2010 Jul 5;5(7):979-85. doi: 10.1002/cmdc.201000146." Approved Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; UGT2B7 substrates; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Benzene Derivatives; Hormone Antagonists; UGT2B17 substrates; Estrogen Receptor Modulators; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Anti-Estrogens; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Endocrine Therapy; UGT2B7 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists" CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen Metabolism Pathway; Tamoxifen Action Pathway drug_metabolism; drug_action 2137 46505515 D08559 PA451581 DAP000108 Tamoxifen CHEMBL83 10324 DB00675 Tamoxifen BE0000792 ESR2 Q92731 ESR2_HUMAN antagonist 11752352; 16010412; 16326830; 16822624; 17158759; 17404078; 2011412; 20827267 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Chen B, Gajdos C, Dardes R, Kidwai N, Johnston SR, Dowsett M, Jordan VC: Potential of endogenous estrogen receptor beta to influence the selective ER modulator ERbeta complex. Int J Oncol. 2005 Aug;27(2):327-35.@@Horner-Glister E, Maleki-Dizaji M, Guerin CJ, Johnson SM, Styles J, White IN: Influence of oestradiol and tamoxifen on oestrogen receptors-alpha and -beta protein degradation and non-genomic signalling pathways in uterine and breast carcinoma cells. J Mol Endocrinol. 2005 Dec;35(3):421-32.@@Girault I, Bieche I, Lidereau R: Role of estrogen receptor alpha transcriptional coregulators in tamoxifen resistance in breast cancer. Maturitas. 2006 Jul 20;54(4):342-51. Epub 2006 Jul 5.@@Mc Ilroy M, Fleming FJ, Buggy Y, Hill AD, Young LS: Tamoxifen-induced ER-alpha-SRC-3 interaction in HER2 positive human breast cancer; a possible mechanism for ER isoform specific recurrence. Endocr Relat Cancer. 2006 Dec;13(4):1135-45.@@Gruvberger-Saal SK, Bendahl PO, Saal LH, Laakso M, Hegardt C, Eden P, Peterson C, Malmstrom P, Isola J, Borg A, Ferno M: Estrogen receptor beta expression is associated with tamoxifen response in ERalpha-negative breast carcinoma. Clin Cancer Res. 2007 Apr 1;13(7):1987-94.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Hayes DF, Skaar TC, Rae JM, Henry NL, Nguyen AT, Stearns V, Li L, Philips S, Desta Z, Flockhart DA: Estrogen receptor genotypes, menopausal status, and the effects of tamoxifen on lipid levels: revised and updated results. Clin Pharmacol Ther. 2010 Nov;88(5):626-9. doi: 10.1038/clpt.2010.143. Epub 2010 Sep 8." Approved Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; UGT2B7 substrates; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Benzene Derivatives; Hormone Antagonists; UGT2B17 substrates; Estrogen Receptor Modulators; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Anti-Estrogens; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Endocrine Therapy; UGT2B7 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists" CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen Metabolism Pathway; Tamoxifen Action Pathway drug_metabolism; drug_action 2137 46505515 D08559 PA451581 DAP000108 Tamoxifen CHEMBL83 10324 DB00675 Tamoxifen BE0004895 PRKCA Q05513 KPCZ_HUMAN inhibitor 3157445; 27083550 "O'Brian CA, Liskamp RM, Solomon DH, Weinstein IB: Inhibition of protein kinase C by tamoxifen. Cancer Res. 1985 Jun;45(6):2462-5.@@Radin DP, Patel P: Delineating the molecular mechanisms of tamoxifen's oncolytic actions in estrogen receptor-negative cancers. Eur J Pharmacol. 2016 Jun 15;781:173-80. doi: 10.1016/j.ejphar.2016.04.017. Epub 2016 Apr 12." Approved Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; UGT2B7 substrates; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Benzene Derivatives; Hormone Antagonists; UGT2B17 substrates; Estrogen Receptor Modulators; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Anti-Estrogens; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Endocrine Therapy; UGT2B7 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists" CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen Metabolism Pathway; Tamoxifen Action Pathway drug_metabolism; drug_action 2137 46505515 D08559 PA451581 DAP000108 Tamoxifen CHEMBL83 10324 DB00675 Tamoxifen BE0000685 SHBG P04278 SHBG_HUMAN inducer 25349334; 27083550 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27.@@Radin DP, Patel P: Delineating the molecular mechanisms of tamoxifen's oncolytic actions in estrogen receptor-negative cancers. Eur J Pharmacol. 2016 Jun 15;781:173-80. doi: 10.1016/j.ejphar.2016.04.017. Epub 2016 Apr 12." Approved Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; UGT2B7 substrates; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Benzene Derivatives; Hormone Antagonists; UGT2B17 substrates; Estrogen Receptor Modulators; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Anti-Estrogens; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Endocrine Therapy; UGT2B7 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists" CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen Metabolism Pathway; Tamoxifen Action Pathway drug_metabolism; drug_action 2137 46505515 D08559 PA451581 DAP000108 Tamoxifen CHEMBL83 10324 DB00675 Tamoxifen BE0004877 EBP Q15125 EBP_HUMAN inhibitor 9618436 "Paul R, Silve S, De Nys N, Dupuy PH, Bouteiller CL, Rosenfeld J, Ferrara P, Le Fur G, Casellas P, Loison G: Both the immunosuppressant SR31747 and the antiestrogen tamoxifen bind to an emopamil-insensitive site of mammalian Delta8-Delta7 sterol isomerase. J Pharmacol Exp Ther. 1998 Jun;285(3):1296-302." Approved Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; UGT2B7 substrates; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Benzene Derivatives; Hormone Antagonists; UGT2B17 substrates; Estrogen Receptor Modulators; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Anti-Estrogens; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Endocrine Therapy; UGT2B7 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists" CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen Metabolism Pathway; Tamoxifen Action Pathway drug_metabolism; drug_action 2137 46505515 D08559 PA451581 DAP000108 Tamoxifen CHEMBL83 10324 DB00675 Tamoxifen BE0000132 AR P10275 ANDR_HUMAN 14751673 "Yamasaki K, Sawaki M, Noda S, Muroi T, Takakura S, Mitoma H, Sakamoto S, Nakai M, Yakabe Y: Comparison of the Hershberger assay and androgen receptor binding assay of twelve chemicals. Toxicology. 2004 Feb 15;195(2-3):177-86." Approved Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; UGT2B7 substrates; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Benzene Derivatives; Hormone Antagonists; UGT2B17 substrates; Estrogen Receptor Modulators; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Anti-Estrogens; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Endocrine Therapy; UGT2B7 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists" CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen Metabolism Pathway; Tamoxifen Action Pathway drug_metabolism; drug_action 2137 46505515 D08559 PA451581 DAP000108 Tamoxifen CHEMBL83 10324 DB00675 Tamoxifen BE0002088 ESRRG P62508 ERR3_HUMAN 16889744 "Gowda K, Marks BD, Zielinski TK, Ozers MS: Development of a coactivator displacement assay for the orphan receptor estrogen-related receptor-gamma using time-resolved fluorescence resonance energy transfer. Anal Biochem. 2006 Oct 1;357(1):105-15. Epub 2006 Jul 10." Approved Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; UGT2B7 substrates; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Benzene Derivatives; Hormone Antagonists; UGT2B17 substrates; Estrogen Receptor Modulators; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Anti-Estrogens; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Endocrine Therapy; UGT2B7 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists" CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen Metabolism Pathway; Tamoxifen Action Pathway drug_metabolism; drug_action 2137 46505515 D08559 PA451581 DAP000108 Tamoxifen CHEMBL83 10324 DB00675 Tamoxifen BE0003790 MAPK8 P45983 MK08_HUMAN modulator 27083550 "Radin DP, Patel P: Delineating the molecular mechanisms of tamoxifen's oncolytic actions in estrogen receptor-negative cancers. Eur J Pharmacol. 2016 Jun 15;781:173-80. doi: 10.1016/j.ejphar.2016.04.017. Epub 2016 Apr 12." Approved Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; UGT2B7 substrates; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Benzene Derivatives; Hormone Antagonists; UGT2B17 substrates; Estrogen Receptor Modulators; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Anti-Estrogens; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Endocrine Therapy; UGT2B7 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists" CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen Metabolism Pathway; Tamoxifen Action Pathway drug_metabolism; drug_action 2137 46505515 D08559 PA451581 DAP000108 Tamoxifen CHEMBL83 10324 DB00677 Isoflurophate BE0002180 BCHE P06276 CHLE_HUMAN inhibitor 11405252; 12459190; 1511344; 1776688; 2361169 "Kamata R, Saito S, Suzuki T, Takewaki T, Kobayashi H: Correlation of binding sites for diisopropyl phosphorofluoridate with cholinesterase and neuropathy target esterase in membrane and cytosol preparations from hen. Neurotoxicology. 2001 Apr;22(2):203-14.@@Acey RA, Bailey S, Healy P, Jo C, Unger TF, Hudson RA: A butyrylcholinesterase in the early development of the brine shrimp (Artemia salina) larvae: a target for phthalate ester embryotoxicity? Biochem Biophys Res Commun. 2002 Dec 13;299(4):659-62.@@Pittel Z, Cohen S, Fisher A, Heldman E: Differential long-term effect of AF64A on [3H]ACh synthesis and release in rat hippocampal synaptosomes. Brain Res. 1992 Jul 17;586(1):148-51.@@Miller RB, Blank CL: Determination of serum cholinesterase activity by liquid chromatography with electrochemical detection. Anal Biochem. 1991 Aug 1;196(2):377-84.@@Kelly SS, Ferry CB, Bamforth JP: The effects of anticholinesterases on the latencies of action potentials in mouse skeletal muscles. Br J Pharmacol. 1990 Apr;99(4):721-6." Approved; Investigational; Withdrawn Phosphate esters Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters Protease Inhibitors; Organophosphonates; Enzyme Inhibitors; Organophosphorus Compounds; Neurotransmitter Agents; Cholinesterase Inhibitors; Cholinergic Agents; Organofluorophosphonates; Ophthalmics CC(C)OP(F)(=O)OC(C)C 46504499 D00043 PA164748933 DAP000896 Diisopropyl_fluorophosphate CHEMBL1025 6027 DB00683 Midazolam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 29950725; 23038269 "Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27.@@Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4." Approved; Illicit "Imidazo[1,5-a][1,4]benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Triazolobenzodiazepines; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Adjuvants, Anesthesia; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; UGT1A4 substrates; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates" CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12 11188 46507611 D00550 PA450496 DAP000241 Midazolam CHEMBL655 6960 DB00683 Midazolam BE0000924 ADORA2A P29274 AA2AR_HUMAN potentiator 10691246 "Seubert CN, Morey TE, Martynyuk AE, Cucchiara RF, Dennis DM: Midazolam selectively potentiates the A(2A) - but not A1- receptor--mediated effects of adenosine: role of nucleoside transport inhibition and clinical implications. Anesthesiology. 2000 Feb;92(2):567-77. doi: 10.1097/00000542-200002000-00041." Approved; Illicit "Imidazo[1,5-a][1,4]benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Triazolobenzodiazepines; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Adjuvants, Anesthesia; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; UGT1A4 substrates; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates" CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12 11188 46507611 D00550 PA450496 DAP000241 Midazolam CHEMBL655 6960 DB00685 Trovafloxacin BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Withdrawn Naphthyridine carboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Naphthyridines "Cytochrome P-450 CYP1A2 Inhibitors (weak); QTc Prolonging Agents; Enzyme Inhibitors; Topoisomerase Inhibitors; Anti-Bacterial Agents; Quinolones; Antiinfectives for Systemic Use; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Antibacterials for Systemic Use; Anti-Infective Agents; Topoisomerase II Inhibitors; Fluoroquinolones; Highest Risk QTc-Prolonging Agents; Quinolines" [H][C@@]12CN(C[C@]1([H])[C@H]2N)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=C(F)C=C(F)C=C1)C(O)=O 11817 46508751 PA164749184 DAP000652 Trovafloxacin CHEMBL428 115552 DB00686 Pentosan polysulfate BE0001015 FGF2 P09038 FGF2_HUMAN antagonist 10667230; 12375053; 7692072; 8738610; 17071728 "Zugmaier G, Favoni R, Jaeger R, Rosen N, Knabbe C: Polysulfated heparinoids selectively inactivate heparin-binding angiogenesis factors. Ann N Y Acad Sci. 1999;886:243-8.@@Mucha S, Melen-Mucha G, Stepien T, Godlewski A, Stepien H: Effects of pentosan polysulfate sodium on the estrogen-induced pituitary prolactinoma in Fischer 344 rats. Oncol Rep. 2002 Nov-Dec;9(6):1385-9.@@Pluda JM, Shay LE, Foli A, Tannenbaum S, Cohen PJ, Goldspiel BR, Adamo D, Cooper MR, Broder S, Yarchoan R: Administration of pentosan polysulfate to patients with human immunodeficiency virus-associated Kaposi's sarcoma. J Natl Cancer Inst. 1993 Oct 6;85(19):1585-92.@@McLeskey SW, Zhang L, Kharbanda S, Kurebayashi J, Lippman ME, Dickson RB, Kern FG: Fibroblast growth factor overexpressing breast carcinoma cells as models of angiogenesis and metastasis. Breast Cancer Res Treat. 1996;39(1):103-17.@@Jerebtsova M, Wong E, Przygodzki R, Tang P, Ray PE: A novel role of fibroblast growth factor-2 and pentosan polysulfate in the pathogenesis of intestinal bleeding in mice. Am J Physiol Heart Circ Physiol. 2007 Feb;292(2):H743-50. Epub 2006 Oct 27." Approved O-glycosyl compounds Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Glycosaminoglycans; Miscellaneous Therapeutic Agents; Polysaccharides; Carbohydrates; Anticoagulants; Drugs causing inadvertant photosensitivity; Hematologic Agents; Photosensitizing Agents; Sulfur Compounds; Antivaricose Therapy; Urologicals; Genito Urinary System and Sex Hormones; Sulfur Acids; Sulfuric Acids; Vasoprotectives O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O 716 46509187 PA164774806 DAP001025 Pentosan_polysulfate CHEMBL4073796 155046 DB00686 Pentosan polysulfate BE0000689 FGF1 P05230 FGF1_HUMAN antagonist 8867461; 8946244; 17071728 "Pascu C, Ljungh A, Wadstrom T: Staphylococci bind heparin-binding host growth factors. Curr Microbiol. 1996 Apr;32(4):201-7.@@Zenjari C, Boilly-Marer Y, Desbiens X, Oudghir M, Hondermarck H, Boilly B: Experimental evidence for FGF-1 control of blastema cell proliferation during limb regeneration of the amphibian Pleurodeles waltl. Int J Dev Biol. 1996 Oct;40(5):965-71.@@Jerebtsova M, Wong E, Przygodzki R, Tang P, Ray PE: A novel role of fibroblast growth factor-2 and pentosan polysulfate in the pathogenesis of intestinal bleeding in mice. Am J Physiol Heart Circ Physiol. 2007 Feb;292(2):H743-50. Epub 2006 Oct 27." Approved O-glycosyl compounds Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Glycosaminoglycans; Miscellaneous Therapeutic Agents; Polysaccharides; Carbohydrates; Anticoagulants; Drugs causing inadvertant photosensitivity; Hematologic Agents; Photosensitizing Agents; Sulfur Compounds; Antivaricose Therapy; Urologicals; Genito Urinary System and Sex Hormones; Sulfur Acids; Sulfuric Acids; Vasoprotectives O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O 716 46509187 PA164774806 DAP001025 Pentosan_polysulfate CHEMBL4073796 155046 DB00687 Fludrocortisone BE0000668 NR3C2 P08235 MCR_HUMAN agonist 907708; 6274900 "Agarwal MK, Coupry F, Philippe M: Physiological activity and receptor binding of 9 alpha fluorohydrocortisone. Biochem Biophys Res Commun. 1977 Sep 23;78(2):747-53. doi: 10.1016/0006-291x(77)90242-x.@@Lan NC, Graham B, Bartter FC, Baxter JD: Binding of steroids to mineralocorticoid receptors: implications for in vivo occupancy by glucocorticoids. J Clin Endocrinol Metab. 1982 Feb;54(2):332-42. doi: 10.1210/jcem-54-2-332." Approved; Investigational 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnenes; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Hydroxycorticosteroids; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Mineralocorticoids; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7526 46508616 D07967 PA164743961 DAP001105 Fludrocortisone CHEMBL1201388 4452 DB00687 Fludrocortisone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 907708; 6274900 "Agarwal MK, Coupry F, Philippe M: Physiological activity and receptor binding of 9 alpha fluorohydrocortisone. Biochem Biophys Res Commun. 1977 Sep 23;78(2):747-53. doi: 10.1016/0006-291x(77)90242-x.@@Lan NC, Graham B, Bartter FC, Baxter JD: Binding of steroids to mineralocorticoid receptors: implications for in vivo occupancy by glucocorticoids. J Clin Endocrinol Metab. 1982 Feb;54(2):332-42. doi: 10.1210/jcem-54-2-332." Approved; Investigational 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnenes; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Hydroxycorticosteroids; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Mineralocorticoids; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7526 46508616 D07967 PA164743961 DAP001105 Fludrocortisone CHEMBL1201388 4452 DB00688 Mycophenolate mofetil BE0004520 PTS Q03393 PTPS_HUMAN inhibitor 15803924; 10878285; 14640931 "Allison AC: Mechanisms of action of mycophenolate mofetil. Lupus. 2005;14 Suppl 1:s2-8.@@Allison AC, Eugui EM: Mycophenolate mofetil and its mechanisms of action. Immunopharmacology. 2000 May;47(2-3):85-118.@@Srinivas TR, Kaplan B, Meier-Kriesche HU: Mycophenolate mofetil in solid-organ transplantation. Expert Opin Pharmacother. 2003 Dec;4(12):2325-45. doi: 10.1517/14656566.4.12.2325 ." Approved; Investigational Phthalides Organic compounds; Organoheterocyclic compounds; Isocoumarans; Isobenzofuranones "UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; OATP1B1/SLCO1B1 Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; Immunologic Factors; Mycophenolic Acid and Prodrugs; Fatty Acids; Drugs that are Mainly Renally Excreted; Antimetabolite Immunosuppressant; P-glycoprotein substrates; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Lipids; Antibiotics, Antineoplastic; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Anti-Infective Agents; UGT1A9 Substrates; OATP1B3 substrates; UGT1A1 Substrates; IMP Dehydrogenase, antagonists & inhibitors; UGT1A6 substrate; Antibiotics, Antitubercular" COC1=C(C\C=C(/C)CCC(=O)OCCN2CCOCC2)C(O)=C2C(=O)OCC2=C1C Mycophenolic Acid Metabolism Pathway drug_metabolism 118 46505626 D00752 PA450566 DNC000397 Mycophenolic_acid CHEMBL1456 68149 DB00690 Flurazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved; Illicit; Investigational "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Psycholeptics; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System" CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F 4015 46508451 D00329 PA449681 DAP000242 Flurazepam CHEMBL968 4501 DB00692 Phentolamine BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist 1848966; 10845768; 9884917 "Raja SN, Treede RD, Davis KD, Campbell JN: Systemic alpha-adrenergic blockade with phentolamine: a diagnostic test for sympathetically maintained pain. Anesthesiology. 1991 Apr;74(4):691-8. doi: 10.1097/00000542-199104000-00012.@@Goldstein I: Oral phentolamine: an alpha-1, alpha-2 adrenergic antagonist for the treatment of erectile dysfunction. Int J Impot Res. 2000 Mar;12 Suppl 1:S75-80.@@Traish A, Gupta S, Gallant C, Huang YH, Goldstein I: Phentolamine mesylate relaxes penile corpus cavernosum tissue by adrenergic and non-adrenergic mechanisms. Int J Impot Res. 1998 Dec;10(4):215-23. doi: 10.1038/sj.ijir.3900351." Approved Alkyldiarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines Peripheral Vasodilators; Imidazoline Derivatives; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Non-selective Alfa-adrenergic Blocking Agents; Adrenergic alpha-Antagonists; Hypotensive Agents; Cardiovascular Agents; Imidazoles; Drugs that are Mainly Renally Excreted; Antidotes; Adrenergic Antagonists; Vasodilating Agents; Agents that produce hypertension; Neurotransmitter Agents; Sympatholytic (Adrenergic Blocking) Agents; Adrenergic Agents CC1=CC=C(C=C1)N(CC1=NCCN1)C1=CC(O)=CC=C1 5974 46506535 PA450926 DAP000299 Phentolamine CHEMBL597 8153 DB00694 Daunorubicin BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 6380596; 1963303 "Aubel-Sadron G, Londos-Gagliardi D: Daunorubicin and doxorubicin, anthracycline antibiotics, a physicochemical and biological review. Biochimie. 1984 May;66(5):333-52.@@Zunino F, Capranico G: DNA topoisomerase II as the primary target of anti-tumor anthracyclines. Anticancer Drug Des. 1990 Nov;5(4):307-17." Approved Anthracyclines Organic compounds; Phenylpropanoids and polyketides; Anthracyclines "Cytotoxic Antibiotics and Related Substances; Myelosuppressive Agents; Glycosides; Enzyme Inhibitors; Topoisomerase Inhibitors; Naphthacenes; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Anthracyclines and Related Substances; BSEP/ABCB11 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Topoisomerase II Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Anthracyclines; Anthracycline Topoisomerase Inhibitor; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown)" COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(C)=O)C(O)=C1C2=O 68 46508433 D07776 PA449212 DNC000517 Daunorubicin CHEMBL178 3109 DB00694 Daunorubicin BE0002425 TOP2B Q02880 TOP2B_HUMAN inhibitor 6380596; 1963303 "Aubel-Sadron G, Londos-Gagliardi D: Daunorubicin and doxorubicin, anthracycline antibiotics, a physicochemical and biological review. Biochimie. 1984 May;66(5):333-52.@@Zunino F, Capranico G: DNA topoisomerase II as the primary target of anti-tumor anthracyclines. Anticancer Drug Des. 1990 Nov;5(4):307-17." Approved Anthracyclines Organic compounds; Phenylpropanoids and polyketides; Anthracyclines "Cytotoxic Antibiotics and Related Substances; Myelosuppressive Agents; Glycosides; Enzyme Inhibitors; Topoisomerase Inhibitors; Naphthacenes; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Anthracyclines and Related Substances; BSEP/ABCB11 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Topoisomerase II Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Anthracyclines; Anthracycline Topoisomerase Inhibitor; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown)" COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(C)=O)C(O)=C1C2=O 68 46508433 D07776 PA449212 DNC000517 Daunorubicin CHEMBL178 3109 DB00695 Furosemide BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 22343084; 18336309 "Ranjbar S, Ghobadi S, Khodarahmi R, Nemati H: Spectroscopic characterization of furosemide binding to human carbonic anhydrase II. Int J Biol Macromol. 2012 May 1;50(4):910-7. doi: 10.1016/j.ijbiomac.2012.02.005. Epub 2012 Feb 16.@@Supuran CT: Diuretics: from classical carbonic anhydrase inhibitors to novel applications of the sulfonamides. Curr Pharm Des. 2008;14(7):641-8." Approved; Vet_approved Aminobenzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides "Ototoxic agents; Amines; Antihypertensive Agents; Hyperglycemia-Associated Agents; Nephrotoxic agents; Amides; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Sulfanilamides; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Benzoates; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Increased Diuresis at Loop of Henle; Sulfonamides; Membrane Transport Modulators; Aminobenzoates; Thyroxine-binding globulin substrates; High-Ceiling Diuretics; Acids, Carbocyclic; Diuretics; Drugs causing inadvertant photosensitivity; Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; Aniline Compounds; OAT3/SLC22A8 Inhibitors; High-Ceiling Diuretics and Potassium-Sparing Agents; UGT1A1 Substrates; Sulfur Compounds" NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O Furosemide Action Pathway drug_action 10091 46506779 D00331 PA449719 DAP000043 Furosemide CHEMBL35 4603 DB00696 Ergotamine BE0000715 ADRA1D P25100 ADA1D_HUMAN partial agonist 18066532 "Gornemann T, Jahnichen S, Schurad B, Latte KP, Horowski R, Tack J, Flieger M, Pertz HH: Pharmacological properties of a wide array of ergolines at functional alpha(1)-adrenoceptor subtypes. Naunyn Schmiedebergs Arch Pharmacol. 2008 Jan;376(5):321-30. Epub 2007 Dec 8." Approved "Ergotamines, dihydroergotamines, and derivatives" Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Sensory System Agents; Uterotonic agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Analgesics, Non-Narcotic; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Adrenergic Agents; Reproductive Control Agents" [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O 11218 46507632 D07906 PA164747651 DAP000141 Ergotamine CHEMBL442 4025 DB00696 Ergotamine BE0000533 HTR2C P28335 5HT2C_HUMAN agonist 12525272 "Bigal ME, Tepper SJ: Ergotamine and dihydroergotamine: a review. Curr Pain Headache Rep. 2003 Feb;7(1):55-62." Approved "Ergotamines, dihydroergotamines, and derivatives" Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Sensory System Agents; Uterotonic agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Analgesics, Non-Narcotic; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Adrenergic Agents; Reproductive Control Agents" [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O 11218 46507632 D07906 PA164747651 DAP000141 Ergotamine CHEMBL442 4025 DB00696 Ergotamine BE0000393 HTR2B P41595 5HT2B_HUMAN 11104741 "Rothman RB, Baumann MH, Savage JE, Rauser L, McBride A, Hufeisen SJ, Roth BL: Evidence for possible involvement of 5-HT(2B) receptors in the cardiac valvulopathy associated with fenfluramine and other serotonergic medications. Circulation. 2000 Dec 5;102(23):2836-41." Approved "Ergotamines, dihydroergotamines, and derivatives" Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Sensory System Agents; Uterotonic agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Analgesics, Non-Narcotic; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Adrenergic Agents; Reproductive Control Agents" [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O 11218 46507632 D07906 PA164747651 DAP000141 Ergotamine CHEMBL442 4025 DB00697 Tizanidine BE0003580 NISCH Q9Y2I1 NISCH_HUMAN agonist 18602099; 26962521 "Tanabe M, Hashimoto M, Ono H: Imidazoline I(1) receptor-mediated reduction of muscle rigidity in the reserpine-treated murine model of Parkinson's disease. Eur J Pharmacol. 2008 Jul 28;589(1-3):102-5. doi: 10.1016/j.ejphar.2008.06.013. Epub 2008 Jun 7.@@Talakoub R, Abbasi S, Maghami E, Zavareh SM: The effect of oral tizanidine on postoperative pain relief after elective laparoscopic cholecystectomy. Adv Biomed Res. 2016 Feb 8;5:19. doi: 10.4103/2277-9175.175905. eCollection 2016." Approved; Investigational Benzothiadiazoles Organic compounds; Organoheterocyclic compounds; Benzothiadiazoles "Sensory System Agents; Central alpha-2 Adrenergic Agonist; QTc Prolonging Agents; Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Autonomic Agents; Hypotensive Agents; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Imidazoles; Potential QTc-Prolonging Agents; Adrenergic Agonists; Musculo-Skeletal System; Imidazolines; Analgesics; Neuromuscular Agents; Central Nervous System Agents; Neurotransmitter Agents; Bradycardia-Causing Agents; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants" ClC1=C(NC2=NCCN2)C2=NSN=C2C=C1 11821 46505373 PA451701 DAP000234 Tizanidine CHEMBL1079 57258 DB00697 Tizanidine BE0004863 ADRA1A P25100 ADA1D_HUMAN agonist 6329897; 1666331 "Takayanagi I, Konno F, Ishii C, Takemasa T, Yanagida Y, Shimizu M, Mori H, Sugane H: Actions of tizanidine on alpha 1-and alpha 2-adrenoceptors in the peripheral tissues. Gen Pharmacol. 1984;15(3):239-41.@@Takayanagi I, Harada M, Koike K, Satoh M: Differences in alpha 1-adrenoceptor mechanisms for phenylephrine and tizanidine in rabbit thoracic aorta and common iliac artery. Can J Physiol Pharmacol. 1991 Dec;69(12):1819-24." Approved; Investigational Benzothiadiazoles Organic compounds; Organoheterocyclic compounds; Benzothiadiazoles "Sensory System Agents; Central alpha-2 Adrenergic Agonist; QTc Prolonging Agents; Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Autonomic Agents; Hypotensive Agents; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Imidazoles; Potential QTc-Prolonging Agents; Adrenergic Agonists; Musculo-Skeletal System; Imidazolines; Analgesics; Neuromuscular Agents; Central Nervous System Agents; Neurotransmitter Agents; Bradycardia-Causing Agents; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants" ClC1=C(NC2=NCCN2)C2=NSN=C2C=C1 11821 46505373 PA451701 DAP000234 Tizanidine CHEMBL1079 57258 DB00700 Eplerenone BE0000668 NR3C2 P08235 MCR_HUMAN antagonist 14503934; 14607457; 15554912; 11752352 "Moore TD, Nawarskas JJ, Anderson JR: Eplerenone: a selective aldosterone receptor antagonist for hypertension and heart failure. Heart Dis. 2003 Sep-Oct;5(5):354-63.@@Fraccarollo D, Galuppo P, Hildemann S, Christ M, Ertl G, Bauersachs J: Additive improvement of left ventricular remodeling and neurohormonal activation by aldosterone receptor blockade with eplerenone and ACE inhibition in rats with myocardial infarction. J Am Coll Cardiol. 2003 Nov 5;42(9):1666-73.@@Rogerson FM, Yao Y, Smith BJ, Fuller PJ: Differences in the determinants of eplerenone, spironolactone and aldosterone binding to the mineralocorticoid receptor. Clin Exp Pharmacol Physiol. 2004 Oct;31(10):704-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Spironolactones and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones "Mineralocorticoid (Aldosterone) Receptor Antagonists; Pregnenes; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Steroids; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Potassium-Sparing Diuretics; Diuretics; Lactones; Cytochrome P-450 CYP3A4 Substrates; Natriuretic Agents; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)C[C@H]1O[C@@]11[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)C(=O)OC Eplerenone Action Pathway drug_action 20438 46509053 D01115 PA164749044 DAP000085 Eplerenone CHEMBL1095097 298869 DB00703 Methazolamide BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 18336310 "Mincione F, Scozzafava A, Supuran CT: The development of topically acting carbonic anhydrase inhibitors as antiglaucoma agents. Curr Pharm Des. 2008;14(7):649-54." Approved Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Cardiovascular Agents; Thiazoles; Photosensitizing Agents; Antiglaucoma Preparations and Miotics; Genito Urinary System and Sex Hormones; Sulfonamides; Thiadiazoles; Diuretics; Drugs causing inadvertant photosensitivity; Carbonic Anhydrase Inhibitors; Natriuretic Agents; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Sensory Organs CN1N=C(S\C1=N\C(C)=O)S(N)(=O)=O 5863 46506393 D00655 PA450413 DAP000599 Methazolamide CHEMBL19 6826 DB00703 Methazolamide BE0003625 CA3 P07451 CAH3_HUMAN inhibitor 17826101 "Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25." Approved Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Cardiovascular Agents; Thiazoles; Photosensitizing Agents; Antiglaucoma Preparations and Miotics; Genito Urinary System and Sex Hormones; Sulfonamides; Thiadiazoles; Diuretics; Drugs causing inadvertant photosensitivity; Carbonic Anhydrase Inhibitors; Natriuretic Agents; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Sensory Organs CN1N=C(S\C1=N\C(C)=O)S(N)(=O)=O 5863 46506393 D00655 PA450413 DAP000599 Methazolamide CHEMBL19 6826 DB00704 Naltrexone BE0000770 OPRM1 P35372 OPRM_HUMAN antagonist 11752352; 19068776; 18354714; 17918759; 17661275; 17487229; 9673788 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kato H: [Pharmacological effects of a mu-opioid receptor antagonist naltrexone on alcohol dependence]. Nihon Arukoru Yakubutsu Igakkai Zasshi. 2008 Oct;43(5):697-704.@@Helm S, Trescot AM, Colson J, Sehgal N, Silverman S: Opioid antagonists, partial agonists, and agonists/antagonists: the role of office-based detoxification. Pain Physician. 2008 Mar-Apr;11(2):225-35.@@Goodman AJ, Le Bourdonnec B, Dolle RE: Mu opioid receptor antagonists: recent developments. ChemMedChem. 2007 Nov;2(11):1552-70.@@Barrios de Tomasi E, Juarez-Gonzalez J: [Opioid antagonists and alcohol consumption]. Rev Neurol. 2007 Aug 1-15;45(3):155-62.@@Weerts EM, Kim YK, Wand GS, Dannals RF, Lee JS, Frost JJ, McCaul ME: Differences in delta- and mu-opioid receptor blockade measured by positron emission tomography in naltrexone-treated recently abstinent alcohol-dependent subjects. Neuropsychopharmacology. 2008 Feb;33(3):653-65. Epub 2007 May 9.@@Herz A: Opioid reward mechanisms: a key role in drug abuse? Can J Physiol Pharmacol. 1998 Mar;76(3):252-8." Approved; Investigational; Vet_approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Alcohol Deterrents; Centrally Acting Antiobesity Products; Drugs Used in Addictive Disorders; Natural Opium Alkaloids; Alkaloids; Alimentary Tract and Metabolism; Agents Causing Muscle Toxicity; Drugs Used in Alcohol Dependence; Heterocyclic Compounds, Fused-Ring; Antiobesity Preparations, Excl. Diet Products; Opioids; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; UGT1A1 Substrates; Nervous System; Opiate Alkaloids; Opiate Antagonists" [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=O Naltrexone Action Pathway drug_action 20300 46505333 D05113 PA450588 DAP000379 Naltrexone CHEMBL19019 7243 DB00704 Naltrexone BE0000420 OPRD1 P41143 OPRD_HUMAN antagonist 11752352; 15788780; 17661275; 17487229; 9673788; 9040115 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Roy S, Guo X, Kelschenbach J, Liu Y, Loh HH: In vivo activation of a mutant mu-opioid receptor by naltrexone produces a potent analgesic effect but no tolerance: role of mu-receptor activation and delta-receptor blockade in morphine tolerance. J Neurosci. 2005 Mar 23;25(12):3229-33.@@Barrios de Tomasi E, Juarez-Gonzalez J: [Opioid antagonists and alcohol consumption]. Rev Neurol. 2007 Aug 1-15;45(3):155-62.@@Weerts EM, Kim YK, Wand GS, Dannals RF, Lee JS, Frost JJ, McCaul ME: Differences in delta- and mu-opioid receptor blockade measured by positron emission tomography in naltrexone-treated recently abstinent alcohol-dependent subjects. Neuropsychopharmacology. 2008 Feb;33(3):653-65. Epub 2007 May 9.@@Herz A: Opioid reward mechanisms: a key role in drug abuse? Can J Physiol Pharmacol. 1998 Mar;76(3):252-8.@@Herz A: Endogenous opioid systems and alcohol addiction. Psychopharmacology (Berl). 1997 Jan;129(2):99-111." Approved; Investigational; Vet_approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Alcohol Deterrents; Centrally Acting Antiobesity Products; Drugs Used in Addictive Disorders; Natural Opium Alkaloids; Alkaloids; Alimentary Tract and Metabolism; Agents Causing Muscle Toxicity; Drugs Used in Alcohol Dependence; Heterocyclic Compounds, Fused-Ring; Antiobesity Preparations, Excl. Diet Products; Opioids; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; UGT1A1 Substrates; Nervous System; Opiate Alkaloids; Opiate Antagonists" [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=O Naltrexone Action Pathway drug_action 20300 46505333 D05113 PA450588 DAP000379 Naltrexone CHEMBL19019 7243 DB00706 Tamsulosin BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 11752352; 9117115; 16986050; 16518087; 12270758; 8996174; 14680444 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Noble AJ, Chess-Williams R, Couldwell C, Furukawa K, Uchyiuma T, Korstanje C, Chapple CR: The effects of tamsulosin, a high affinity antagonist at functional alpha 1A- and alpha 1D-adrenoceptor subtypes. Br J Pharmacol. 1997 Jan;120(2):231-8.@@Lowe FC: Summary of clinical experiences with tamsulosin for the treatment of benign prostatic hyperplasia. Rev Urol. 2005;7 Suppl 4:S13-21.@@Tomiyama Y, Tatemichi S, Tadachi M, Kobayashi S, Hayashi M, Kobayashi M, Yamazaki Y, Shibata N: [Effect of silodosin on intraurethral pressure increase induced by hypogastric nerve stimulation in dogs with benign prostatic hyperplasia]. Yakugaku Zasshi. 2006 Mar;126 Spec no.:225-30.@@Ishiguro M, Futabayashi Y, Ohnuki T, Ahmed M, Muramatsu I, Nagatomo T: Identification of binding sites of prazosin, tamsulosin and KMD-3213 with alpha(1)-adrenergic receptor subtypes by molecular modeling. Life Sci. 2002 Oct 11;71(21):2531-41.@@Taguchi K, Saitoh M, Sato S, Asano M, Michel MC: Effects of tamsulosin metabolites at alpha-1 adrenoceptor subtypes. J Pharmacol Exp Ther. 1997 Jan;280(1):1-5.@@Michel MC, de la Rosette JJ: Efficacy and safety of tamsulosin in the treatment of urological diseases. Expert Opin Pharmacother. 2004 Jan;5(1):151-60." Approved; Investigational Amphetamines and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Amides; Benzene Derivatives; Hypotensive Agents; Urological Agents; Sulfones; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Selective Alfa-1-adrenergic Blocking Agents; Neurotransmitter Agents; Benzenesulfonamides; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Adrenergic Agents; Drugs Used in Benign Prostatic Hypertrophy CCOC1=CC=CC=C1OCCN[C@H](C)CC1=CC(=C(OC)C=C1)S(N)(=O)=O 11780 46507763 PA451583 DAP000086 Tamsulosin CHEMBL836 77492 DB00707 Porfimer sodium BE0000499 LDLR P01130 LDLR_HUMAN other/unknown 1531856; 7661580; 7994588; 2945739; 1450993 "Korbelik M: Low density lipoprotein receptor pathway in the delivery of Photofrin: how much is it relevant for selective accumulation of the photosensitizer in tumors? J Photochem Photobiol B. 1992 Jan;12(1):107-9.@@Tsukagoshi S: [Porfimer sodium (Photofrin-II)]. Gan To Kagaku Ryoho. 1995 Aug;22(9):1271-8.@@Maziere JC, Mora L, Biade S, Maziere C, Santus R: [Potentiation of the photocytotoxic effect of photofrin II: synergistic action of verapamil and lovastatin]. Bull Acad Natl Med. 1994 Jun;178(6):1177-88; discussion 1188-9.@@Candide C, Morliere P, Maziere JC, Goldstein S, Santus R, Dubertret L, Reyftmann JP, Polonovski J: In vitro interaction of the photoactive anticancer porphyrin derivative photofrin II with low density lipoprotein, and its delivery to cultured human fibroblasts. FEBS Lett. 1986 Oct 20;207(1):133-8.@@Maziere JC, Morliere P, Biade S, Santus R: [Antitumor photochemotherapy: biochemical bases, therapeutic uses and perspectives]. C R Seances Soc Biol Fil. 1992;186(1-2):88-106." Approved; Investigational "Photosensitizing Agents for Phototherapy; Photoabsorption; Antineoplastic and Immunomodulating Agents; Biological Factors; Heterocyclic Compounds, Fused-Ring; Photosensitizing Agents; Sensitizers Used in Photodynamic/radiation Therapy; Dermatologicals; Hematoporphyrin Derivative; Photosensitizing Activity; Porphyrins; Radiation-Sensitizing Agents; Pigments, Biological; Hematoporphyrins; Antineoplastic Agents; Photoactivated Radical Generator" 7644 46508600 PA164752658 Porfimer_sodium 333848 DB00707 Porfimer sodium BE0000710 FCGR1A P12314 FCGR1_HUMAN antagonist 2544592 "Krutmann J, Athar M, Mendel DB, Khan IU, Guyre PM, Mukhtar H, Elmets CA: Inhibition of the high affinity Fc receptor (Fc gamma RI) on human monocytes by porphyrin photosensitization is highly specific and mediated by the generation of superoxide radicals. J Biol Chem. 1989 Jul 5;264(19):11407-13." Approved; Investigational "Photosensitizing Agents for Phototherapy; Photoabsorption; Antineoplastic and Immunomodulating Agents; Biological Factors; Heterocyclic Compounds, Fused-Ring; Photosensitizing Agents; Sensitizers Used in Photodynamic/radiation Therapy; Dermatologicals; Hematoporphyrin Derivative; Photosensitizing Activity; Porphyrins; Radiation-Sensitizing Agents; Pigments, Biological; Hematoporphyrins; Antineoplastic Agents; Photoactivated Radical Generator" 7644 46508600 PA164752658 Porfimer_sodium 333848 DB00708 Sufentanil BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 11299311; 1688220; 2847746; 3014923; 6131653; 11752352 "Hurle MA: Changes in the expression of G protein-coupled receptor kinases and beta-arrestin 2 in rat brain during opioid tolerance and supersensitivity. J Neurochem. 2001 Apr;77(2):486-92.@@Levron JC: [Pharmacokinetics and pharmacodynamics of morphinomimetics in the central nervous system]. Agressologie. 1991;32(6-7):318-20.@@Ilien B, Galzi JL, Mejean A, Goeldner M, Hirth C: A mu-opioid receptor-filter assay. Rapid estimation of binding affinity of ligands and reversibility of long-lasting ligand-receptor complexes. Biochem Pharmacol. 1988 Oct 15;37(20):3843-51.@@Colpaert FC, Leysen JE, Michiels M, van den Hoogen RH: Epidural and intravenous sufentanil in the rat: analgesia, opiate receptor binding, and drug concentrations in plasma and brain. Anesthesiology. 1986 Jul;65(1):41-9.@@Leysen JE, Gommeren W: In vitro binding properties of 3H-sufentanil, a superior ligand for the mu-opiate receptor. Arch Int Pharmacodyn Ther. 1982 Dec;260(2):287-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "Sensory System Agents; Anesthetics, General; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neuraxial Anesthetics; Phenylpiperidine opioids; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Opiate Agonists; Anesthetics, Intravenous; High-risk opioids; Opioid Agonist; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Opioids, Anilidopiperidine; Adjuvants, Anesthesia; Piperidines; Central Nervous System Agents; Fentanyl and fentanyl analogues; Bradycardia-Causing Agents; Nervous System; Opioid Anesthetics; Opioids" CCC(=O)N(C1=CC=CC=C1)C1(COC)CCN(CCC2=CC=CS2)CC1 Sufentanil Action Pathway drug_action 12343 46504737 D05938 PA451527 DAP000357 Sufentanil CHEMBL658 56795 DB00708 Sufentanil BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 1330549; 8612823 "Freye E, Latasch L, Portoghese PS: The delta receptor is involved in sufentanil-induced respiratory depression--opioid subreceptors mediate different effects. Eur J Anaesthesiol. 1992 Nov;9(6):457-62.@@Zhu J, Xue JC, Law PY, Claude PA, Luo LY, Yin J, Chen C, Liu-Chen LY: The region in the mu opioid receptor conferring selectivity for sufentanil over the delta receptor is different from that over the kappa receptor. FEBS Lett. 1996 Apr 15;384(2):198-202." Approved; Investigational Anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "Sensory System Agents; Anesthetics, General; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neuraxial Anesthetics; Phenylpiperidine opioids; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Opiate Agonists; Anesthetics, Intravenous; High-risk opioids; Opioid Agonist; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Opioids, Anilidopiperidine; Adjuvants, Anesthesia; Piperidines; Central Nervous System Agents; Fentanyl and fentanyl analogues; Bradycardia-Causing Agents; Nervous System; Opioid Anesthetics; Opioids" CCC(=O)N(C1=CC=CC=C1)C1(COC)CCN(CCC2=CC=CS2)CC1 Sufentanil Action Pathway drug_action 12343 46504737 D05938 PA451527 DAP000357 Sufentanil CHEMBL658 56795 DB00710 Ibandronate BE0000776 FDPS P14324 FPPS_HUMAN inhibitor 11752352; 16932286; 11160603; 16892359 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Chapurlat RD, Delmas PD: Drug insight: Bisphosphonates for postmenopausal osteoporosis. Nat Clin Pract Endocrinol Metab. 2006 Apr;2(4):211-9; quiz following 238.@@Dunford JE, Thompson K, Coxon FP, Luckman SP, Hahn FM, Poulter CD, Ebetino FH, Rogers MJ: Structure-activity relationships for inhibition of farnesyl diphosphate synthase in vitro and inhibition of bone resorption in vivo by nitrogen-containing bisphosphonates. J Pharmacol Exp Ther. 2001 Feb;296(2):235-42.@@Rondeau JM, Bitsch F, Bourgier E, Geiser M, Hemmig R, Kroemer M, Lehmann S, Ramage P, Rieffel S, Strauss A, Green JR, Jahnke W: Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs. ChemMedChem. 2006 Feb;1(2):267-73." Approved; Investigational Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates Potential QTc-Prolonging Agents; Agents Causing Muscle Toxicity; Organophosphonates; Musculo-Skeletal System; QTc Prolonging Agents; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O Ibandronate Action Pathway drug_action 11519 46508134 PA10270 DAP001022 Ibandronic_acid CHEMBL997 115264 DB00713 Oxacillin BE0001018 SLC15A1 P46059 S15A1_HUMAN 15567297 "Luckner P, Brandsch M: Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1. Eur J Pharm Biopharm. 2005 Jan;59(1):17-24." Approved; Investigational Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "beta-Lactams; Beta-Lactamase Resistant Penicillins; Beta-Lactam Antibacterials; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Lactams; Anti-Bacterial Agents; Antibacterials for Systemic Use; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Penicillins; Antiinfectives for Systemic Use" [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1)C(O)=O 46505710 D08307 PA450725 DAP000440 Oxacillin CHEMBL819 7773 DB00713 Oxacillin BE0001134 SLC15A2 Q16348 S15A2_HUMAN 21741846 "Pedretti A, De Luca L, Marconi C, Regazzoni L, Aldini G, Vistoli G: Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping. Bioorg Med Chem. 2011 Aug 1;19(15):4544-51. doi: 10.1016/j.bmc.2011.06.027. Epub 2011 Jun 16." Approved; Investigational Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "beta-Lactams; Beta-Lactamase Resistant Penicillins; Beta-Lactam Antibacterials; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Lactams; Anti-Bacterial Agents; Antibacterials for Systemic Use; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Penicillins; Antiinfectives for Systemic Use" [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1)C(O)=O 46505710 D08307 PA450725 DAP000440 Oxacillin CHEMBL819 7773 DB00714 Apomorphine BE0000581 DRD3 P35462 DRD3_HUMAN agonist 11752352; 15037665 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@LeWitt PA: Subcutaneously administered apomorphine: pharmacokinetics and metabolism. Neurology. 2004 Mar 23;62(6 Suppl 4):S8-11. doi: 10.1212/wnl.62.6_suppl_4.s8." Approved; Investigational Aporphines Organic compounds; Alkaloids and derivatives; Aporphines "Nonergot-derivative Dopamine Receptor Agonists; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Genito Urinary System and Sex Hormones; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Opiate Agonists; Urologicals; COMT Substrates; Isoquinolines; Peripheral Nervous System Agents; Dopamine Agonists; Benzylisoquinolines; Serotonin Agents; Aporphines; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Drugs Used in Erectile Dysfunction; Emetics" [H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C23 9268 46508653 D07460 PA164781163 DAP000281 Apomorphine CHEMBL53 1043 DB00714 Apomorphine BE0000393 HTR2B P41595 5HT2B_HUMAN agonist 18691132; 15037665 "Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@LeWitt PA: Subcutaneously administered apomorphine: pharmacokinetics and metabolism. Neurology. 2004 Mar 23;62(6 Suppl 4):S8-11. doi: 10.1212/wnl.62.6_suppl_4.s8." Approved; Investigational Aporphines Organic compounds; Alkaloids and derivatives; Aporphines "Nonergot-derivative Dopamine Receptor Agonists; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Genito Urinary System and Sex Hormones; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Opiate Agonists; Urologicals; COMT Substrates; Isoquinolines; Peripheral Nervous System Agents; Dopamine Agonists; Benzylisoquinolines; Serotonin Agents; Aporphines; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Drugs Used in Erectile Dysfunction; Emetics" [H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C23 9268 46508653 D07460 PA164781163 DAP000281 Apomorphine CHEMBL53 1043 DB00714 Apomorphine BE0000533 HTR2C P28335 5HT2C_HUMAN agonist 18691132; 15037665 "Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@LeWitt PA: Subcutaneously administered apomorphine: pharmacokinetics and metabolism. Neurology. 2004 Mar 23;62(6 Suppl 4):S8-11. doi: 10.1212/wnl.62.6_suppl_4.s8." Approved; Investigational Aporphines Organic compounds; Alkaloids and derivatives; Aporphines "Nonergot-derivative Dopamine Receptor Agonists; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Genito Urinary System and Sex Hormones; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Opiate Agonists; Urologicals; COMT Substrates; Isoquinolines; Peripheral Nervous System Agents; Dopamine Agonists; Benzylisoquinolines; Serotonin Agents; Aporphines; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Drugs Used in Erectile Dysfunction; Emetics" [H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C23 9268 46508653 D07460 PA164781163 DAP000281 Apomorphine CHEMBL53 1043 DB00715 Paroxetine BE0004863 ADRA1A P25100 ADA1D_HUMAN binder 2962217 "Thomas DR, Nelson DR, Johnson AM: Biochemical effects of the antidepressant paroxetine, a specific 5-hydroxytryptamine uptake inhibitor. Psychopharmacology (Berl). 1987;93(2):193-200. doi: 10.1007/bf00179933." Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Piperidines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1 11340 46504821 D02362 PA450801 DAP001428 Paroxetine CHEMBL490 32937 DB00715 Paroxetine BE0004872 ADRB1 P13945 ADRB3_HUMAN inhibitor 28711716 "Guo S, Carter RL, Grisanti LA, Koch WJ, Tilley DG: Impact of paroxetine on proximal beta-adrenergic receptor signaling. Cell Signal. 2017 Oct;38:127-133. doi: 10.1016/j.cellsig.2017.07.006. Epub 2017 Jul 12." Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Piperidines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1 11340 46504821 D02362 PA450801 DAP001428 Paroxetine CHEMBL490 32937 DB00715 Paroxetine BE0000442 HRH1 P35367 HRH1_HUMAN inhibitor 16620364 "Westenberg HG, Sandner C: Tolerability and safety of fluvoxamine and other antidepressants. Int J Clin Pract. 2006 Apr;60(4):482-91. doi: 10.1111/j.1368-5031.2006.00865.x." Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Piperidines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1 11340 46504821 D02362 PA450801 DAP001428 Paroxetine CHEMBL490 32937 DB00715 Paroxetine BE0004862 HTR1A P34969 5HT7R_HUMAN Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Piperidines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1 11340 46504821 D02362 PA450801 DAP001428 Paroxetine CHEMBL490 32937 DB00715 Paroxetine BE0004890 CHRM1 P08912 ACM5_HUMAN inhibitor 12421645; 7855217; 7959522; 27695623 "Fujishiro J, Imanishi T, Onozawa K, Tsushima M: Comparison of the anticholinergic effects of the serotonergic antidepressants, paroxetine, fluvoxamine and clomipramine. Eur J Pharmacol. 2002 Nov 15;454(2-3):183-8. doi: 10.1016/s0014-2999(02)02557-8.@@Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Hiemke C: [Paroxetine: pharmacokinetics and pharmacodynamics]. Fortschr Neurol Psychiatr. 1994 Sep;62 Suppl 1:2-8.@@Gray SL, Hanlon JT: Anticholinergic medication use and dementia: latest evidence and clinical implications. Ther Adv Drug Saf. 2016 Oct;7(5):217-224. doi: 10.1177/2042098616658399. Epub 2016 Jul 18." Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Piperidines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1 11340 46504821 D02362 PA450801 DAP001428 Paroxetine CHEMBL490 32937 DB00715 Paroxetine BE0000393 HTR2B P41595 5HT2B_HUMAN agonist 25342944; 20846463; 25750618 "Peng L, Gu L, Li B, Hertz L: Fluoxetine and all other SSRIs are 5-HT2B Agonists - Importance for their Therapeutic Effects. Curr Neuropharmacol. 2014 Jul;12(4):365-79. doi: 10.2174/1570159X12666140828221720.@@Zhang S, Li B, Lovatt D, Xu J, Song D, Goldman SA, Nedergaard M, Hertz L, Peng L: 5-HT2B receptors are expressed on astrocytes from brain and in culture and are a chronic target for all five conventional 'serotonin-specific reuptake inhibitors'. Neuron Glia Biol. 2010 May;6(2):113-25. doi: 10.1017/S1740925X10000141. Epub 2010 Sep 16.@@Hertz L, Rothman DL, Li B, Peng L: Chronic SSRI stimulation of astrocytic 5-HT2B receptors change multiple gene expressions/editings and metabolism of glutamate, glucose and glycogen: a potential paradigm shift. Front Behav Neurosci. 2015 Feb 20;9:25. doi: 10.3389/fnbeh.2015.00025. eCollection 2015." Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Piperidines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1 11340 46504821 D02362 PA450801 DAP001428 Paroxetine CHEMBL490 32937 DB00716 Nedocromil BE0000099 CYSLTR2 Q9NS75 CLTR2_HUMAN antagonist 17139284; 17016423; 16164449; 20558817 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Monteseirin J, Chacon P, Vega A, Sanchez-Monteseirin H, Asturias JA, Martinez A, Guardia P, Perez-Cano R, Conde J: L-selectin expression on neutrophils from allergic patients. Clin Exp Allergy. 2005 Sep;35(9):1204-13.@@Yazid S, Leoni G, Getting SJ, Cooper D, Solito E, Perretti M, Flower RJ: Antiallergic cromones inhibit neutrophil recruitment onto vascular endothelium via annexin-A1 mobilization. Arterioscler Thromb Vasc Biol. 2010 Sep;30(9):1718-24. doi: 10.1161/ATVBAHA.110.209536. Epub 2010 Jun 17." Approved; Investigational Chromenopyridines Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans "Anti-Allergic Agents; Respiratory Agents, Miscellaneous; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Quinolones; 4-Quinolones; Immunologic Factors; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Nasal Preparations; Heterocyclic Compounds, Fused-Ring; Decreased Histamine Release; Respiratory System Agents; Mast Cell Stabilizers; Antiallergic Agents, Excl. Corticosteroids; Decongestants and Antiallergics; Ophthalmologicals; Quinolines; Sensory Organs" CCCC1=C2N(CC)C(=CC(=O)C2=CC2=C1OC(=CC2=O)C(O)=O)C(O)=O 1324 46507587 D05129 PA450601 Nedocromil CHEMBL746 31563 DB00716 Nedocromil BE0001120 HSP90AA1 P07900 HS90A_HUMAN 12803546; 17980980 "Okada M, Itoh H, Hatakeyama T, Tokumitsu H, Kobayashi R: Hsp90 is a direct target of the anti-allergic drugs disodium cromoglycate and amlexanox. Biochem J. 2003 Sep 1;374(Pt 2):433-41.@@Nishikawa M, Takemoto S, Takakura Y: Heat shock protein derivatives for delivery of antigens to antigen presenting cells. Int J Pharm. 2008 Apr 16;354(1-2):23-7. Epub 2007 Sep 29." Approved; Investigational Chromenopyridines Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans "Anti-Allergic Agents; Respiratory Agents, Miscellaneous; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Quinolones; 4-Quinolones; Immunologic Factors; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Nasal Preparations; Heterocyclic Compounds, Fused-Ring; Decreased Histamine Release; Respiratory System Agents; Mast Cell Stabilizers; Antiallergic Agents, Excl. Corticosteroids; Decongestants and Antiallergics; Ophthalmologicals; Quinolines; Sensory Organs" CCCC1=C2N(CC)C(=CC(=O)C2=CC2=C1OC(=CC2=O)C(O)=O)C(O)=O 1324 46507587 D05129 PA450601 Nedocromil CHEMBL746 31563 DB00717 Norethisterone BE0000557 PGR P06401 PRGR_HUMAN agonist 15261304; 15063480 "Garcia-Becerra R, Cooney AJ, Borja-Cacho E, Lemus AE, Perez-Palacios G, Larrea F: Comparative evaluation of androgen and progesterone receptor transcription selectivity indices of 19-nortestosterone-derived progestins. J Steroid Biochem Mol Biol. 2004 Jun;91(1-2):21-7.@@Sitruk-Ware R: Pharmacological profile of progestins. Maturitas. 2004 Apr 15;47(4):277-83." Approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Anti-Gonadotropin-Releasing Hormones; Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estren Derivatives; Progestins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP2A6 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Cytochrome P-450 CYP2C19 Inducers; Hypothalamic Hormones; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Pituitary and Hypothalamic Hormones and Analogues" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] 7498 46504816 D00182 PA450651 DAP001212 Norethisterone CHEMBL1162 7514 DB00717 Norethisterone BE0000132 AR P10275 ANDR_HUMAN agonist 15063480 Sitruk-Ware R: Pharmacological profile of progestins. Maturitas. 2004 Apr 15;47(4):277-83. Approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Anti-Gonadotropin-Releasing Hormones; Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estren Derivatives; Progestins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP2A6 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Cytochrome P-450 CYP2C19 Inducers; Hypothalamic Hormones; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Pituitary and Hypothalamic Hormones and Analogues" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] 7498 46504816 D00182 PA450651 DAP001212 Norethisterone CHEMBL1162 7514 DB00717 Norethisterone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 15063480 Sitruk-Ware R: Pharmacological profile of progestins. Maturitas. 2004 Apr 15;47(4):277-83. Approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Anti-Gonadotropin-Releasing Hormones; Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estren Derivatives; Progestins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP2A6 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Cytochrome P-450 CYP2C19 Inducers; Hypothalamic Hormones; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Pituitary and Hypothalamic Hormones and Analogues" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] 7498 46504816 D00182 PA450651 DAP001212 Norethisterone CHEMBL1162 7514 DB00719 Azatadine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 9638277; 2568212; 2523301; 7528133; 11752352 "Singh N, Puri SK: Causal prophylactic activity of antihistaminic agents against Plasmodium yoelii nigeriensis infection in Swiss mice. Acta Trop. 1998 Jun;69(3):255-60.@@Mann KV, Crowe JP, Tietze KJ: Nonsedating histamine H1-receptor antagonists. Clin Pharm. 1989 May;8(5):331-44.@@Clissold SP, Sorkin EM, Goa KL: Loratadine. A preliminary review of its pharmacodynamic properties and therapeutic efficacy. Drugs. 1989 Jan;37(1):42-57.@@Haria M, Fitton A, Peters DH: Loratadine. A reappraisal of its pharmacological properties and therapeutic use in allergic disorders. Drugs. 1994 Oct;48(4):617-37.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Benzocycloheptapyridines Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines Potential QTc-Prolonging Agents; Anticholinergic Agents; Piperidines; QTc Prolonging Agents; Agents that reduce seizure threshold; Histamine Antagonists; Neurotransmitter Agents; Dibenzocycloheptenes; Benzocycloheptenes; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents; Cholinergic Agents CN1CCC(CC1)=C1C2=CC=CC=C2CCC2=C1N=CC=C2 Azatadine H1-Antihistamine Action drug_action 2291 46507958 PA164747157 DAP001079 Azatadine CHEMBL946 18600 DB00721 Procaine BE0000641 GRIN3A Q8TCU5 NMD3A_HUMAN antagonist 16299047; 11812692 "Hahnenkamp K, Durieux ME, Hahnenkamp A, Schauerte SK, Hoenemann CW, Vegh V, Theilmeier G, Hollmann MW: Local anaesthetics inhibit signalling of human NMDA receptors recombinantly expressed in Xenopus laevis oocytes: role of protein kinase C. Br J Anaesth. 2006 Jan;96(1):77-87. Epub 2005 Nov 18.@@Nishizawa N, Shirasaki T, Nakao S, Matsuda H, Shingu K: The inhibition of the N-methyl-D-aspartate receptor channel by local anesthetics in mouse CA1 pyramidal neurons. Anesth Analg. 2002 Feb;94(2):325-30, table of contents." Approved; Investigational; Vet_approved Benzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Sensory System Agents; Nicotinic Antagonists; Esters of Aminobenzoic Acid; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Benzoates; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; NMDA Receptor Antagonists; Aminobenzoates; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Acids, Carbocyclic; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Monoamine Oxidase Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Nervous System; Sensory Organs; Vasoprotectives" CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 Procaine Action Pathway drug_action 8836 46507724 D08422 PA451110 DAP000296 Procaine CHEMBL569 8701 DB00721 Procaine BE0004906 KCNMA1 Q9UGI6 KCNN3_HUMAN blocker 2580269; 3179612 "Benham CD, Bolton TB, Lang RJ, Takewaki T: The mechanism of action of Ba2+ and TEA on single Ca2+-activated K+ -channels in arterial and intestinal smooth muscle cell membranes. Pflugers Arch. 1985 Feb;403(2):120-7.@@Ahn HY, Karaki H: Inhibitory effects of procaine on contraction and calcium movement in vascular and intestinal smooth muscles. Br J Pharmacol. 1988 Jul;94(3):789-96. doi: 10.1111/j.1476-5381.1988.tb11590.x." Approved; Investigational; Vet_approved Benzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Sensory System Agents; Nicotinic Antagonists; Esters of Aminobenzoic Acid; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Benzoates; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; NMDA Receptor Antagonists; Aminobenzoates; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Acids, Carbocyclic; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Monoamine Oxidase Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Nervous System; Sensory Organs; Vasoprotectives" CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 Procaine Action Pathway drug_action 8836 46507724 D08422 PA451110 DAP000296 Procaine CHEMBL569 8701 DB00721 Procaine BE0000657 PLA2G4A P47712 PA24A_HUMAN inhibitor 952985; 133194; 133195 "Kunze H, Nahas N, Traynor JR, Wurl M: Effects of local anaesthetics on phospholipases. Biochim Biophys Acta. 1976 Jul 20;441(1):93-102.@@Hendrickson HS: The penetration of local anesthetics into phosphatidylcholine monolayers. J Lipid Res. 1976 Jul;17(4):393-8.@@Hendrickson HS, van Dam-Mieras MC: Local anesthetic inhibition of pancreatic phospholipase A2 action on lecithin monolayers. J Lipid Res. 1976 Jul;17(4):399-405." Approved; Investigational; Vet_approved Benzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Sensory System Agents; Nicotinic Antagonists; Esters of Aminobenzoic Acid; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Benzoates; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; NMDA Receptor Antagonists; Aminobenzoates; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Acids, Carbocyclic; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Monoamine Oxidase Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Nervous System; Sensory Organs; Vasoprotectives" CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 Procaine Action Pathway drug_action 8836 46507724 D08422 PA451110 DAP000296 Procaine CHEMBL569 8701 DB00721 Procaine BE0000892 DNMT1 P26358 DNMT1_HUMAN inhibitor 12941824; 28926119 "Villar-Garea A, Fraga MF, Espada J, Esteller M: Procaine is a DNA-demethylating agent with growth-inhibitory effects in human cancer cells. Cancer Res. 2003 Aug 15;63(16):4984-9.@@Li YC, Wang Y, Li DD, Zhang Y, Zhao TC, Li CF: Procaine is a specific DNA methylation inhibitor with anti-tumor effect for human gastric cancer. J Cell Biochem. 2018 Feb;119(2):2440-2449. doi: 10.1002/jcb.26407. Epub 2017 Oct 27." Approved; Investigational; Vet_approved Benzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Sensory System Agents; Nicotinic Antagonists; Esters of Aminobenzoic Acid; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Benzoates; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; NMDA Receptor Antagonists; Aminobenzoates; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Acids, Carbocyclic; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Monoamine Oxidase Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Nervous System; Sensory Organs; Vasoprotectives" CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 Procaine Action Pathway drug_action 8836 46507724 D08422 PA451110 DAP000296 Procaine CHEMBL569 8701 DB00721 Procaine BE0009880 DNMT3A Q9Y6K1 DNM3A_HUMAN inhibitor 28926119 "Li YC, Wang Y, Li DD, Zhang Y, Zhao TC, Li CF: Procaine is a specific DNA methylation inhibitor with anti-tumor effect for human gastric cancer. J Cell Biochem. 2018 Feb;119(2):2440-2449. doi: 10.1002/jcb.26407. Epub 2017 Oct 27." Approved; Investigational; Vet_approved Benzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Sensory System Agents; Nicotinic Antagonists; Esters of Aminobenzoic Acid; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Benzoates; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; NMDA Receptor Antagonists; Aminobenzoates; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Acids, Carbocyclic; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Monoamine Oxidase Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Nervous System; Sensory Organs; Vasoprotectives" CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 Procaine Action Pathway drug_action 8836 46507724 D08422 PA451110 DAP000296 Procaine CHEMBL569 8701 DB00722 Lisinopril BE0000270 REN P00797 RENI_HUMAN inhibitor 25767283 "Te Riet L, van Esch JH, Roks AJ, van den Meiracker AH, Danser AH: Hypertension: renin-angiotensin-aldosterone system alterations. Circ Res. 2015 Mar 13;116(6):960-75. doi: 10.1161/CIRCRESAHA.116.303587." Approved; Investigational Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Enzyme Inhibitors; Agents causing angioedema; Antihypertensive Agents; Protective Agents; Lipid Modifying Agents; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Agents causing hyperkalemia; Photosensitizing Agents; Angiotensin-Converting Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Cardiotonic Agents; Oligopeptides; Drugs causing inadvertant photosensitivity; Peptides; Compounds used in a research, industrial, or household setting; Dipeptides" NCCCC[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O Lisinopril Action Pathway drug_action 1253 46504893 D00362 PA450242 DAP000587 Lisinopril CHEMBL1237 1546022 DB00723 Methoxamine BE0000715 ADRA1D P25100 ADA1D_HUMAN binder 19493707 "Zeng A, Yuan B, Wang C, Yang G, He L: Frontal analysis of cell-membrane chromatography for determination of drug-alpha(1D) adrenergic receptor affinity. J Chromatogr B Analyt Technol Biomed Life Sci. 2009 Jul 1;877(20-21):1833-7. doi: 10.1016/j.jchromb.2009.05.021. Epub 2009 May 18." Approved; Investigational Dimethoxybenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Agents producing tachycardia; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Alcohols; Vasoconstrictor Agents; Adrenergic Agonists; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Propanols; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Propanolamines; Cardiac Therapy; Neurotransmitter Agents; Ethylamines; Adrenergic Agents COC1=CC(C(O)C(C)N)=C(OC)C=C1 20294 46506264 D08201 PA450431 DAP000796 Methoxamine CHEMBL524 6853 DB00725 Homatropine methylbromide BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 17139284; 17016423; 2612581; 20085574; 11124384 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Manjeet S, Sim MK: Atropine- and scopolamine-resistant subtypes of muscarinic receptors in the rabbit aorta. Eur J Pharmacol. 1989 Dec 12;174(1):99-105.@@George N, Shiny PJ, Miriam J, Nancy CA, Dhanasekar KR, Peedicayil J: Inhibitory effect of anticholinergics on the contraction of isolated caprine urinary bladder detrusor muscle. Auton Autacoid Pharmacol. 2010 Jul;30(3):173-7. doi: 10.1111/j.1474-8673.2009.00447.x. Epub 2010 Jan 19.@@Gil L, Gomez LE, Duran I, Cueva-Rolon R: Muscarinic mediation of the urethro genital reflex in spinal cord-transected rats. Pharmacol Biochem Behav. 2000 Oct;67(2):215-23." Approved Tropane alkaloids Organic compounds; Alkaloids and derivatives; Tropane alkaloids "Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Belladonna and Derivatives, Plain; Drugs for Functional Gastrointestinal Disorders; Alkaloids; Belladonna Alkaloids, Semisynthetic, Quaternary Ammonium Compounds; Agents producing tachycardia; Azabicyclo Compounds; Alimentary Tract and Metabolism" [Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)C1=CC=CC=C1 8955 46509020 D02070 PA164749405 DAP000823 Homatropine_methylbromide CHEMBL1200851 1546413 DB00725 Homatropine methylbromide BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 17139284; 17016423; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Tropane alkaloids Organic compounds; Alkaloids and derivatives; Tropane alkaloids "Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Belladonna and Derivatives, Plain; Drugs for Functional Gastrointestinal Disorders; Alkaloids; Belladonna Alkaloids, Semisynthetic, Quaternary Ammonium Compounds; Agents producing tachycardia; Azabicyclo Compounds; Alimentary Tract and Metabolism" [Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)C1=CC=CC=C1 8955 46509020 D02070 PA164749405 DAP000823 Homatropine_methylbromide CHEMBL1200851 1546413 DB00725 Homatropine methylbromide BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 17139284; 17016423; 6893558; 11124384 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Li CK, Mitchelson F: The selective antimuscarinic action of stercuronium. Br J Pharmacol. 1980 Oct;70(2):313-21.@@Gil L, Gomez LE, Duran I, Cueva-Rolon R: Muscarinic mediation of the urethro genital reflex in spinal cord-transected rats. Pharmacol Biochem Behav. 2000 Oct;67(2):215-23." Approved Tropane alkaloids Organic compounds; Alkaloids and derivatives; Tropane alkaloids "Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Belladonna and Derivatives, Plain; Drugs for Functional Gastrointestinal Disorders; Alkaloids; Belladonna Alkaloids, Semisynthetic, Quaternary Ammonium Compounds; Agents producing tachycardia; Azabicyclo Compounds; Alimentary Tract and Metabolism" [Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)C1=CC=CC=C1 8955 46509020 D02070 PA164749405 DAP000823 Homatropine_methylbromide CHEMBL1200851 1546413 DB00726 Trimipramine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 8863001 "Berger M, Gastpar M: Trimipramine: a challenge to current concepts on antidepressives. Eur Arch Psychiatry Clin Neurosci. 1996;246(5):235-9." Approved Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents" CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12 9906 46507121 D00394 PA451791 DAP001153 Trimipramine CHEMBL644 10834 DB00726 Trimipramine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 8863001; 11752352 "Berger M, Gastpar M: Trimipramine: a challenge to current concepts on antidepressives. Eur Arch Psychiatry Clin Neurosci. 1996;246(5):235-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents" CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12 9906 46507121 D00394 PA451791 DAP001153 Trimipramine CHEMBL644 10834 DB00726 Trimipramine BE0004872 ADRB1 P13945 ADRB3_HUMAN binder 8863001 "Berger M, Gastpar M: Trimipramine: a challenge to current concepts on antidepressives. Eur Arch Psychiatry Clin Neurosci. 1996;246(5):235-9." Approved Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents" CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12 9906 46507121 D00394 PA451791 DAP001153 Trimipramine CHEMBL644 10834 DB00726 Trimipramine BE0004890 CHRM1 P08912 ACM5_HUMAN binder 1979173 "Eikmeier G, Muszynski K, Berger M, Gastpar M: High-dose trimipramine in acute schizophrenia. Preliminary results of an open trial. Pharmacopsychiatry. 1990 Sep;23(5):212-4." Approved Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents" CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12 9906 46507121 D00394 PA451791 DAP001153 Trimipramine CHEMBL644 10834 DB00728 Rocuronium BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 17139284; 17016423; 20400785 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Milchert M, Spassov A, Meissner K, Nedeljkov V, Lehmann C, Wendt M, Loster BW, Mazurkiewicz-Janik M, Gedrange T, Pavlovic D: Skeletal muscle relaxants inhibit rat tracheal smooth muscle tone in vitro. J Physiol Pharmacol. 2009 Dec;60 Suppl 8:5-11." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Nicotinic Antagonists; Neuromuscular-Blocking Agents (Nondepolarizing); Agents producing tachycardia; Neuromuscular Blocking Agents; OCT1 substrates; Neuromuscular Nondepolarizing Blockade; Central Nervous System Depressants; Muscle Relaxants; Steroids; Fused-Ring Compounds; Anticholinergic Agents; Musculo-Skeletal System; Androstanols; Androstanes; Peripheral Nervous System Agents; Muscarinic Antagonists; Neuromuscular Agents; OCT1 inhibitors; Muscle Relaxants, Peripherally Acting Agents" [H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1 349 46506855 D00765 PA164754992 DAP000349 Rocuronium_bromide CHEMBL1201244 68139 DB00731 Nateglinide BE0000215 PPARG P37231 PPARG_HUMAN agonist 17082235 "Scarsi M, Podvinec M, Roth A, Hug H, Kersten S, Albrecht H, Schwede T, Meyer UA, Rucker C: Sulfonylureas and glinides exhibit peroxisome proliferator-activated receptor gamma activity: a combined virtual screening and biological assay approach. Mol Pharmacol. 2007 Feb;71(2):398-406. Epub 2006 Nov 2." Approved; Investigational Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Insulin Secretagogues; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Amino Acids, Aromatic; Oral Hypoglycemics; Cycloparaffins; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Cyclohexanes; Alimentary Tract and Metabolism; Cytochrome P-450 CYP3A5 Substrates; Amino Acids; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Drugs Used in Diabetes; Amino Acids, Cyclic; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; UGT1A9 Substrates; Glinide; Cytochrome P-450 CYP3A7 Substrates; Potassium Channel Blockers" CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O Nateglinide Action Pathway drug_action 12683 46504836 D01111 PA450600 DAP000918 Nateglinide CHEMBL783 274332 DB00733 Pralidoxime BE0002180 BCHE P06276 CHLE_HUMAN activator 18825528; 11393267 "Pohanka M, Jun D, Kuca K: In vitro reactivation of trichlorfon-inhibited butyrylcholinesterase using HI-6, obidoxime, pralidoxime and K048. J Enzyme Inhib Med Chem. 2009 Jun;24(3):680-3. doi: 10.1080/14756360802328315.@@Khan S, Hemalatha R, Jeyaseelan L, Oommen A, Zachariah A: Neuroparalysis and oxime efficacy in organophosphate poisoning: a study of butyrylcholinesterase. Hum Exp Toxicol. 2001 Apr;20(4):169-74." Approved; Vet_approved N-methylpyridinium compounds Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Methylpyridines "Enzyme Reactivators; Antidotes; Amines; Cholinesterase Reactivators; Neurotransmitter Agents; Protective Agents; Hydroxylamines; Cholinergic Agents; Drugs that are Mainly Renally Excreted; Oximes; Compounds used in a research, industrial, or household setting" C[N+]1=C(\C=N\O)C=CC=C1 9990 46509152 PA164744926 Pralidoxime CHEMBL1420 34345 DB00734 Risperidone BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 25943458 Corena-McLeod M: Comparative Pharmacology of Risperidone and Paliperidone. Drugs R D. 2015 Jun;15(2):163-74. doi: 10.1007/s40268-015-0092-x. Approved; Investigational Pyridopyrimidines Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Pyrimidinones; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1 723 46505850 D00426 PA451257 DAP000003 Risperidone CHEMBL85 35636 DB00734 Risperidone BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 25943458 Corena-McLeod M: Comparative Pharmacology of Risperidone and Paliperidone. Drugs R D. 2015 Jun;15(2):163-74. doi: 10.1007/s40268-015-0092-x. Approved; Investigational Pyridopyrimidines Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Pyrimidinones; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1 723 46505850 D00426 PA451257 DAP000003 Risperidone CHEMBL85 35636 DB00734 Risperidone BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 25943458 Corena-McLeod M: Comparative Pharmacology of Risperidone and Paliperidone. Drugs R D. 2015 Jun;15(2):163-74. doi: 10.1007/s40268-015-0092-x. Approved; Investigational Pyridopyrimidines Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Pyrimidinones; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1 723 46505850 D00426 PA451257 DAP000003 Risperidone CHEMBL85 35636 DB00735 Naftifine BE0000577 SQLE Q14534 ERG1_HUMAN inhibitor 11752352; 8834895; 1951574; 12499173; 3877503; 1287164 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Favre B, Ryder NS: Characterization of squalene epoxidase activity from the dermatophyte Trichophyton rubrum and its inhibition by terbinafine and other antimycotic agents. Antimicrob Agents Chemother. 1996 Feb;40(2):443-7.@@Vanden Bossche H, Marichal P: Mode of action of anti-Candida drugs: focus on terconazole and other ergosterol biosynthesis inhibitors. Am J Obstet Gynecol. 1991 Oct;165(4 Pt 2):1193-9.@@Mukherjee PK, Leidich SD, Isham N, Leitner I, Ryder NS, Ghannoum MA: Clinical Trichophyton rubrum strain exhibiting primary resistance to terbinafine. Antimicrob Agents Chemother. 2003 Jan;47(1):82-6.@@Ryder NS, Dupont MC: Inhibition of squalene epoxidase by allylamine antimycotic compounds. A comparative study of the fungal and mammalian enzymes. Biochem J. 1985 Sep 15;230(3):765-70.@@Ryder NS, Frank I: Interaction of terbinafine with human serum and serum proteins. J Med Vet Mycol. 1992;30(6):451-60." Approved Naphthalenes Organic compounds; Benzenoids; Naphthalenes "Allylamine Antifungal; Hydrocarbons, Acyclic; Anti-Infective Agents; Alkenes; Amines; Antifungals for Topical Use; Antifungal Agents; Allyl Compounds; Antifungals for Dermatological Use; Dermatologicals" CN(CC=CC1=CC=CC=C1)CC1=CC=CC2=CC=CC=C12 1186 46504777 PA164748617 DAP000752 Naftifine CHEMBL626 31476 DB00736 Esomeprazole BE0000766 DDAH1 O94760 DDAH1_HUMAN 23825361; 28588208 "Ghebremariam YT, LePendu P, Lee JC, Erlanson DA, Slaviero A, Shah NH, Leiper J, Cooke JP: Unexpected effect of proton pump inhibitors: elevation of the cardiovascular risk factor asymmetric dimethylarginine. Circulation. 2013 Aug 20;128(8):845-53. doi: 10.1161/CIRCULATIONAHA.113.003602. Epub 2013 Jul 3.@@Tommasi S, Elliot DJ, Hulin JA, Lewis BC, McEvoy M, Mangoni AA: Human dimethylarginine dimethylaminohydrolase 1 inhibition by proton pump inhibitors and the cardiovascular risk marker asymmetric dimethylarginine: in vitro and in vivo significance. Sci Rep. 2017 Jun 6;7(1):2871. doi: 10.1038/s41598-017-03069-1." Approved; Investigational Sulfinylbenzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Sulfinylbenzimidazoles "Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Drugs for Acid Related Disorders; Gastrointestinal Agents; Pyridines; 2-Pyridinylmethylsulfinylbenzimidazoles; Anti-Ulcer Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Sulfoxides; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Gastric Acid Lowering Agents; Drugs causing inadvertant photosensitivity; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Cytochrome P-450 CYP3A4 Substrates; Propionates; Proton Pump Inhibitors; Acid Reducers; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Benzimidazoles; Proton-pump Inhibitors" COC1=CC2=C(NC(=N2)[S@@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1 Esomeprazole Action Pathway; Esomeprazole Metabolism Pathway drug_metabolism; drug_action 12371 46504894 D07917 PA10075 DCL000524 Esomeprazole CHEMBL1201320 283742 DB00737 Meclizine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 7513381; 1350745; 1362160; 1678430 "Oishi R, Shishido S, Yamori M, Saeki K: Comparison of the effects of eleven histamine H1-receptor antagonists on monoamine turnover in the mouse brain. Naunyn Schmiedebergs Arch Pharmacol. 1994 Feb;349(2):140-4.@@Martins MA, Pasquale CP, e Silva PM, Pires AL, Ruffie C, Rihoux JP, Cordeiro RS, Vargaftig BB: Interference of cetirizine with the late eosinophil accumulation induced by either PAF or compound 48/80. Br J Pharmacol. 1992 Jan;105(1):176-80.@@Pasquale CP, e Silva PM, Lima MC, Diaz BL, Rihoux JP, Vargaftig BB, Cordeiro RS, Martins MA: Suppression by cetirizine of pleurisy triggered by antigen in actively sensitized rats. Eur J Pharmacol. 1992 Nov 13;223(1):9-14.@@Taniguchi K, Masuda Y, Takanaka K: Inhibitory effects of histamine H1 receptor blocking drugs on metabolic activations of neutrophils. J Pharmacobiodyn. 1991 Feb;14(2):87-93." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Anti-Allergic Agents; Piperazines; Histamine H1 Antagonists; Cholinergic Agents; Benzene Derivatives; Gastrointestinal Agents; Autonomic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Piperazine Derivatives; Antivertigo Preparations; Emesis Suppression; Peripheral Nervous System Agents; Central Nervous System Agents; Neurotransmitter Agents; Antiemetics; Antihistamines for Systemic Use; Benzhydryl Compounds; Histamine Agents CC1=CC(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=CC=C1 Meclizine H1-Antihistamine Action drug_action 6316 46507782 D08163 PA450338 DAP000795 Meclizine CHEMBL1623 6676 DB00738 Pentamidine BE0002517 TRDMT1 O14717 TRDMT_HUMAN other 18263620 "Sun T, Zhang Y: Pentamidine binds to tRNA through non-specific hydrophobic interactions and inhibits aminoacylation and translation. Nucleic Acids Res. 2008 Mar;36(5):1654-64. doi: 10.1093/nar/gkm1180. Epub 2008 Feb 7." Approved; Investigational Phenol ethers Organic compounds; Benzenoids; Phenol ethers "QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Nephrotoxic agents; Agents Against Leishmaniasis and Trypanosomiasis; Blood Glucose Lowering Agents; Antibiotics for Pneumocystis Pneumonia; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antifungal Agents; Antiparasitic Products, Insecticides and Repellents; Trypanocidal Agents; Antiprotozoals; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Miscellaneous Antiprotozoals; Cytochrome P-450 CYP2D6 Substrates; Antiparasitic Agents; Anti-Infective Agents; Benzamidines; Amidines; Hypoglycemia-Associated Agents; Moderate Risk QTc-Prolonging Agents" NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1 20144 46508562 PA450850 DAP000764 Pentamidine CHEMBL55 7994 DB00740 Riluzole BE0000030 SLC7A11 Q9UPY5 XCT_HUMAN inducer 8813989; 10899284; 12629173; 20226190; 20059984 "Wokke J: Riluzole. Lancet. 1996 Sep 21;348(9030):795-9.@@Azbill RD, Mu X, Springer JE: Riluzole increases high-affinity glutamate uptake in rat spinal cord synaptosomes. Brain Res. 2000 Jul 21;871(2):175-80.@@Dunlop J, Beal McIlvain H, She Y, Howland DS: Impaired spinal cord glutamate transport capacity and reduced sensitivity to riluzole in a transgenic superoxide dismutase mutant rat model of amyotrophic lateral sclerosis. J Neurosci. 2003 Mar 1;23(5):1688-96.@@Gosselin RD, O'Connor RM, Tramullas M, Julio-Pieper M, Dinan TG, Cryan JF: Riluzole normalizes early-life stress-induced visceral hypersensitivity in rats: role of spinal glutamate reuptake mechanisms. Gastroenterology. 2010 Jun;138(7):2418-25. doi: 10.1053/j.gastro.2010.03.003. Epub 2010 Mar 10.@@Hayashida K, Parker RA, Eisenach JC: Activation of glutamate transporters in the locus coeruleus paradoxically activates descending inhibition in rats. Brain Res. 2010 Mar 4;1317:80-6. doi: 10.1016/j.brainres.2009.12.086. Epub 2010 Jan 6." Approved; Investigational Benzothiazoles Organic compounds; Organoheterocyclic compounds; Benzothiazoles "Protective Agents; Benzothiazoles; Excitatory Amino Acid Agents; Thiazoles; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; BCRP/ABCG2 Substrates; Heterocyclic Compounds, Fused-Ring; Compounds used in a research, industrial, or household setting; Central Nervous System Agents; Neurotransmitter Agents; Anticonvulsants; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Miscellaneous Central Nervous System Agents; Neuroprotective Agents" NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2 12026 46508094 D00775 PA451251 DAP000527 Riluzole CHEMBL744 35623 DB00741 Hydrocortisone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 16891588; 16895953; 16980198; 17038445; 17086345; 15634032 "Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404.@@Czock D, Keller F, Rasche FM, Haussler U: Pharmacokinetics and pharmacodynamics of systemically administered glucocorticoids. Clin Pharmacokinet. 2005;44(1):61-98. doi: 10.2165/00003088-200544010-00003." Approved; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnenes; Pregnanes; OAT3/SLC22A8 Substrates; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Dermatologicals; P-glycoprotein inducers; Corticosteroids for Local Oral Treatment; Corticosteroids, Weak (Group I); Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Corticosteroids Acting Locally; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Stomatological Preparations; P-glycoprotein substrates; 11-Hydroxycorticosteroids; Steroids; Nasal Preparations; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Ophthalmological and Otological Preparations; Otologicals; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Intestinal Antiinflammatory Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Ophthalmologicals; Pregnenediones; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates; Adrenals; Corticosteroids for Systemic Use; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); Corticotropin Activation of Cortisol Production; 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21) disease; metabolic; signaling 7529 46505089 D00088 PA449905 DAP000718 Hydrocortisone CHEMBL389621 5492 DB00741 Hydrocortisone BE0000422 ANXA1 P04083 ANXA1_HUMAN agonist 17139284; 17016423; 11142771; 1712816; 8060156 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sato-Matsumura KC, Matsumura T, Nakamura H, Sawa H, Nagashima K, Koizumi H: Membrane expression of annexin I is enhanced by calcium and TPA in cultured human keratinocytes. Arch Dermatol Res. 2000 Oct;292(10):496-9.@@White MV, Igarashi Y, Lundgren JD, Shelhamer J, Kaliner M: Hydrocortisone inhibits rat basophilic leukemia cell mediator release induced by neutrophil-derived histamine releasing activity as well as by anti-IgE. J Immunol. 1991 Jul 15;147(2):667-73.@@Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72." Approved; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnenes; Pregnanes; OAT3/SLC22A8 Substrates; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Dermatologicals; P-glycoprotein inducers; Corticosteroids for Local Oral Treatment; Corticosteroids, Weak (Group I); Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Corticosteroids Acting Locally; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Stomatological Preparations; P-glycoprotein substrates; 11-Hydroxycorticosteroids; Steroids; Nasal Preparations; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Ophthalmological and Otological Preparations; Otologicals; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Intestinal Antiinflammatory Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Ophthalmologicals; Pregnenediones; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates; Adrenals; Corticosteroids for Systemic Use; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); Corticotropin Activation of Cortisol Production; 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21) disease; metabolic; signaling 7529 46505089 D00088 PA449905 DAP000718 Hydrocortisone CHEMBL389621 5492 DB00746 Deferoxamine BE0003392 APP P05067 A4_HUMAN 15681799 "Venti A, Giordano T, Eder P, Bush AI, Lahiri DK, Greig NH, Rogers JT: The integrated role of desferrioxamine and phenserine targeted to an iron-responsive element in the APP-mRNA 5'-untranslated region. Ann N Y Acad Sci. 2004 Dec;1035:34-48." Approved; Investigational Acetohydroxamic acids Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives "Iron Chelating Agents; Iron Chelating Activity; Amines; Chelating Agents; Hydroxy Acids; Siderophores; Sequestering Agents; Hydroxylamines; Hydroxamic Acids; Heavy Metal Antagonists; Compounds used in a research, industrial, or household setting" CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN 2446 46506395 D03670 PA164746490 Deferoxamine CHEMBL556 3131 DB00747 Scopolamine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 15627430; 11752352; 16175141; 30566832 "Johnson DE, Nedza FM, Spracklin DK, Ward KM, Schmidt AW, Iredale PA, Godek DM, Rollema H: The role of muscarinic receptor antagonism in antipsychotic-induced hippocampal acetylcholine release. Eur J Pharmacol. 2005 Jan 4;506(3):209-19. Epub 2004 Dec 15.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Renner UD, Oertel R, Kirch W: Pharmacokinetics and pharmacodynamics in clinical use of scopolamine. Ther Drug Monit. 2005 Oct;27(5):655-65. doi: 10.1097/01.ftd.0000168293.48226.57.@@Lakstygal AM, Kolesnikova TO, Khatsko SL, Zabegalov KN, Volgin AD, Demin KA, Shevyrin VA, Wappler-Guzzetta EA, Kalueff AV: DARK Classics in Chemical Neuroscience: Atropine, Scopolamine, and Other Anticholinergic Deliriant Hallucinogens. ACS Chem Neurosci. 2019 May 15;10(5):2144-2159. doi: 10.1021/acschemneuro.8b00615. Epub 2019 Jan 10." Approved; Investigational Beta hydroxy acids and derivatives Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives "Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Gastrointestinal Agents; Aza Compounds; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Adjuvants; Solanaceous Alkaloids; Psycholeptics; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Scopolamine Derivatives; Mydriatics; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; Adjuvants, Anesthesia; Muscarinic Antagonists; Antiemetics and Antinauseants; Central Nervous System Agents; Ophthalmologicals; Neurotransmitter Agents; Antiemetics; Nervous System; Sensory Organs" CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1 9011 46506966 D00138 PA451308 DNC000757 Scopolamine CHEMBL569713 9603 DB00747 Scopolamine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 18045203; 16175141; 30566832 "Reitz AB, Gupta SK, Huang Y, Parker MH, Ryan RR: The preparation and human muscarinic receptor profiling of oxybutynin and N-desethyloxybutynin enantiomers. Med Chem. 2007 Nov;3(6):543-5.@@Renner UD, Oertel R, Kirch W: Pharmacokinetics and pharmacodynamics in clinical use of scopolamine. Ther Drug Monit. 2005 Oct;27(5):655-65. doi: 10.1097/01.ftd.0000168293.48226.57.@@Lakstygal AM, Kolesnikova TO, Khatsko SL, Zabegalov KN, Volgin AD, Demin KA, Shevyrin VA, Wappler-Guzzetta EA, Kalueff AV: DARK Classics in Chemical Neuroscience: Atropine, Scopolamine, and Other Anticholinergic Deliriant Hallucinogens. ACS Chem Neurosci. 2019 May 15;10(5):2144-2159. doi: 10.1021/acschemneuro.8b00615. Epub 2019 Jan 10." Approved; Investigational Beta hydroxy acids and derivatives Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives "Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Gastrointestinal Agents; Aza Compounds; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Adjuvants; Solanaceous Alkaloids; Psycholeptics; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Scopolamine Derivatives; Mydriatics; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; Adjuvants, Anesthesia; Muscarinic Antagonists; Antiemetics and Antinauseants; Central Nervous System Agents; Ophthalmologicals; Neurotransmitter Agents; Antiemetics; Nervous System; Sensory Organs" CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1 9011 46506966 D00138 PA451308 DNC000757 Scopolamine CHEMBL569713 9603 DB00747 Scopolamine BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 18045203; 16175141; 30566832 "Reitz AB, Gupta SK, Huang Y, Parker MH, Ryan RR: The preparation and human muscarinic receptor profiling of oxybutynin and N-desethyloxybutynin enantiomers. Med Chem. 2007 Nov;3(6):543-5.@@Renner UD, Oertel R, Kirch W: Pharmacokinetics and pharmacodynamics in clinical use of scopolamine. Ther Drug Monit. 2005 Oct;27(5):655-65. doi: 10.1097/01.ftd.0000168293.48226.57.@@Lakstygal AM, Kolesnikova TO, Khatsko SL, Zabegalov KN, Volgin AD, Demin KA, Shevyrin VA, Wappler-Guzzetta EA, Kalueff AV: DARK Classics in Chemical Neuroscience: Atropine, Scopolamine, and Other Anticholinergic Deliriant Hallucinogens. ACS Chem Neurosci. 2019 May 15;10(5):2144-2159. doi: 10.1021/acschemneuro.8b00615. Epub 2019 Jan 10." Approved; Investigational Beta hydroxy acids and derivatives Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives "Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Gastrointestinal Agents; Aza Compounds; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Adjuvants; Solanaceous Alkaloids; Psycholeptics; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Scopolamine Derivatives; Mydriatics; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; Adjuvants, Anesthesia; Muscarinic Antagonists; Antiemetics and Antinauseants; Central Nervous System Agents; Ophthalmologicals; Neurotransmitter Agents; Antiemetics; Nervous System; Sensory Organs" CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1 9011 46506966 D00138 PA451308 DNC000757 Scopolamine CHEMBL569713 9603 DB00747 Scopolamine BE0000849 CHRNA4 P43681 ACHA4_HUMAN inhibitor 15733544 "Smulders CJ, Zwart R, Bermudez I, van Kleef RG, Groot-Kormelink PJ, Vijverberg HP: Cholinergic drugs potentiate human nicotinic alpha4beta2 acetylcholine receptors by a competitive mechanism. Eur J Pharmacol. 2005 Feb 21;509(2-3):97-108." Approved; Investigational Beta hydroxy acids and derivatives Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives "Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Gastrointestinal Agents; Aza Compounds; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Adjuvants; Solanaceous Alkaloids; Psycholeptics; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Scopolamine Derivatives; Mydriatics; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; Adjuvants, Anesthesia; Muscarinic Antagonists; Antiemetics and Antinauseants; Central Nervous System Agents; Ophthalmologicals; Neurotransmitter Agents; Antiemetics; Nervous System; Sensory Organs" CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1 9011 46506966 D00138 PA451308 DNC000757 Scopolamine CHEMBL569713 9603 DB00747 Scopolamine BE0001176 SI P14410 SUIS_HUMAN inhibitor 20230815 "Minai-Tehrani D, Fooladi N, Minoui S, Sobhani-Damavandifar Z, Aavani T, Heydarzadeh S, Attar F, Ghaffari M, Nazem H: Structural changes and inhibition of sucrase after binding of scopolamine. Eur J Pharmacol. 2010 Jun 10;635(1-3):23-6. doi: 10.1016/j.ejphar.2010.02.040. Epub 2010 Mar 15." Approved; Investigational Beta hydroxy acids and derivatives Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives "Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Gastrointestinal Agents; Aza Compounds; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Adjuvants; Solanaceous Alkaloids; Psycholeptics; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Scopolamine Derivatives; Mydriatics; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; Adjuvants, Anesthesia; Muscarinic Antagonists; Antiemetics and Antinauseants; Central Nervous System Agents; Ophthalmologicals; Neurotransmitter Agents; Antiemetics; Nervous System; Sensory Organs" CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1 9011 46506966 D00138 PA451308 DNC000757 Scopolamine CHEMBL569713 9603 DB00748 Carbinoxamine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 7513381; 16574052; 1143714; 19761204; 11752352; 1360248 "Oishi R, Shishido S, Yamori M, Saeki K: Comparison of the effects of eleven histamine H1-receptor antagonists on monoamine turnover in the mouse brain. Naunyn Schmiedebergs Arch Pharmacol. 1994 Feb;349(2):140-4.@@Ramadan AA, Mandil H: Spectrophotometric determination of carbinoxamine maleate in pharmaceutical formulations by ternary complex formation with Cu(II) and eosin. Anal Biochem. 2006 Jun 1;353(1):133-7. Epub 2006 Mar 9.@@Darby WJ: Nutrition, food needs and technologic priorities: the World Food Conference. Nutr Rev. 1975 Aug;33(8):225-34.@@Yang J, Dudley GB: [1,2]-Anionic rearrangement of 2-benzyloxypyridine and related pyridyl ethers. J Org Chem. 2009 Oct 16;74(20):7998-8000. doi: 10.1021/jo901707x.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Casy AF, Drake AF, Ganellin CR, Mercer AD, Upton C: Stereochemical studies of chiral H-1 antagonists of histamine: the resolution, chiral analysis, and biological evaluation of four antipodal pairs. Chirality. 1992;4(6):356-66. doi: 10.1002/chir.530040606." Approved Benzylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers QTc Prolonging Agents; Central Nervous System Depressants; Aminoalkyl Ethers; Histamine Antagonists; Neurotransmitter Agents; Drugs causing inadvertant photosensitivity; Histamine H1 Antagonists; Photosensitizing Agents; Moderate Risk QTc-Prolonging Agents; Antihistamines for Systemic Use; Histamine Agents CN(C)CCOC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1 Carbinoxamine H1-Antihistamine Action drug_action 46506787 PA164746898 DAP001069 Carbinoxamine CHEMBL864 20220 DB00749 Etodolac BE0000412 RXRA P19793 RXRA_HUMAN other 15699354 "Kolluri SK, Corr M, James SY, Bernasconi M, Lu D, Liu W, Cottam HB, Leoni LM, Carson DA, Zhang XK: The R-enantiomer of the nonsteroidal antiinflammatory drug etodolac binds retinoid X receptor and induces tumor-selective apoptosis. Proc Natl Acad Sci U S A. 2005 Feb 15;102(7):2525-30. Epub 2005 Feb 7." Approved; Investigational; Vet_approved Indolyl carboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives "Sensory System Agents; UGT2B7 substrates; Enzyme Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; Indoles; Acetic Acid Derivatives and Related Substances; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Photosensitizing Agents; Indoleacetic Acids; Drugs that are Mainly Renally Excreted; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Cyclooxygenase Inhibitors; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Antirheumatic Agents" CCC1=C2NC3=C(CCOC3(CC)CC(O)=O)C2=CC=C1 Etodolac Action Pathway drug_action 1880 46505184 D00315 PA449550 DAP000778 Etodolac CHEMBL622 24605 DB00751 Epinastine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 17534605; 1972625; 11752352 "Tsujii T, Yamamoto E, Ohira T, Saito N, Watanabe S: Effects of sedative and non-sedative H1 antagonists on cognitive tasks: behavioral and near-infrared spectroscopy (NIRS) examinations. Psychopharmacology (Berl). 2007 Sep;194(1):83-91. Epub 2007 May 30.@@Walther G, Daniel H, Bechtel WD, Brandt K: New tetracyclic guanidine derivatives with H1-antihistaminic properties. Chemistry of epinastine. Arzneimittelforschung. 1990 Apr;40(4):440-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Ophthalmics; Histamine H1 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; P-glycoprotein substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Decreased Histamine Release; Cytochrome P-450 CYP3A4 Substrates; Acid Reducers; Serotonin Agents; Ophthalmologicals; Decongestants and Antiallergics; Neurotransmitter Agents; Histamine Agents; Sensory Organs" NC1=NCC2N1C1=CC=CC=C1CC1=CC=CC=C21 Epinastine H1-Antihistamine Action drug_action 46509056 D01713 PA164764489 DAP001074 Epinastine CHEMBL1106 39684 DB00751 Epinastine BE0000112 HRH2 P25021 HRH2_HUMAN antagonist 16131920 "Bielory L, Ghafoor S: Histamine receptors and the conjunctiva. Curr Opin Allergy Clin Immunol. 2005 Oct;5(5):437-40." Approved; Investigational Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Ophthalmics; Histamine H1 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; P-glycoprotein substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Decreased Histamine Release; Cytochrome P-450 CYP3A4 Substrates; Acid Reducers; Serotonin Agents; Ophthalmologicals; Decongestants and Antiallergics; Neurotransmitter Agents; Histamine Agents; Sensory Organs" NC1=NCC2N1C1=CC=CC=C1CC1=CC=CC=C21 Epinastine H1-Antihistamine Action drug_action 46509056 D01713 PA164764489 DAP001074 Epinastine CHEMBL1106 39684 DB00751 Epinastine BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 10596692 "Dupont LJ, Pype JL, Meade CJ, DeLeyn P, Deneffe G, Demedts MG, Verleden GM: Epinastine (WAL 801CL) inhibits the electrical field stimulation-induced cholinergic contraction in guinea pig and human airways in vitro. Eur Respir J. 1999 Nov;14(5):1068-75." Approved; Investigational Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Ophthalmics; Histamine H1 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; P-glycoprotein substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Decreased Histamine Release; Cytochrome P-450 CYP3A4 Substrates; Acid Reducers; Serotonin Agents; Ophthalmologicals; Decongestants and Antiallergics; Neurotransmitter Agents; Histamine Agents; Sensory Organs" NC1=NCC2N1C1=CC=CC=C1CC1=CC=CC=C21 Epinastine H1-Antihistamine Action drug_action 46509056 D01713 PA164764489 DAP001074 Epinastine CHEMBL1106 39684 DB00753 Isoflurane BE0000795 GABRA1 P14867 GBRA1_HUMAN agonist 17139284; 17016423; 20826568; 20097266 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@McCracken ML, Borghese CM, Trudell JR, Harris RA: A transmembrane amino acid in the GABAA receptor beta2 subunit critical for the actions of alcohols and anesthetics. J Pharmacol Exp Ther. 2010 Dec;335(3):600-6. doi: 10.1124/jpet.110.170472. Epub 2010 Sep 8.@@Seo K, Seino H, Yoshikawa H, Petrenko AB, Baba H, Fujiwara N, Someya G, Kawano Y, Maeda T, Matsuda M, Kanematsu T, Hirata M: Genetic reduction of GABA(A) receptor gamma2 subunit expression potentiates the immobilizing action of isoflurane. Neurosci Lett. 2010 Mar 12;472(1):1-4. doi: 10.1016/j.neulet.2010.01.031. Epub 2010 Jan 25." Approved; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Anesthetics, General; Nicotinic Antagonists; QTc Prolonging Agents; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Methyl Ethers; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation" FC(F)OC(Cl)C(F)(F)F 2019 46505880 D00545 PA450106 DAP001033 Isoflurane CHEMBL1256 6026 DB00753 Isoflurane BE0000218 ATP2C1 P98194 AT2C1_HUMAN inhibitor 17139284; 17016423; 8214757 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kosk-Kosicka D, Roszczynska G: Inhibition of plasma membrane Ca(2+)-ATPase activity by volatile anesthetics. Anesthesiology. 1993 Oct;79(4):774-80." Approved; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Anesthetics, General; Nicotinic Antagonists; QTc Prolonging Agents; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Methyl Ethers; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation" FC(F)OC(Cl)C(F)(F)F 2019 46505880 D00545 PA450106 DAP001033 Isoflurane CHEMBL1256 6026 DB00753 Isoflurane BE0000433 GLRA1 P23415 GLRA1_HUMAN agonist 17139284; 17016423; 16973644 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Grasshoff C, Antkowiak B: Effects of isoflurane and enflurane on GABAA and glycine receptors contribute equally to depressant actions on spinal ventral horn neurones in rats. Br J Anaesth. 2006 Nov;97(5):687-94. doi: 10.1093/bja/ael239. Epub 2006 Sep 13." Approved; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Anesthetics, General; Nicotinic Antagonists; QTc Prolonging Agents; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Methyl Ethers; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation" FC(F)OC(Cl)C(F)(F)F 2019 46505880 D00545 PA450106 DAP001033 Isoflurane CHEMBL1256 6026 DB00753 Isoflurane BE0000640 GRIA1 P42261 GRIA1_HUMAN antagonist 17207582; 8786535 "Guo L, Wang Y: Glutamate stimulates glutamate receptor interacting protein 1 degradation by ubiquitin-proteasome system to regulate surface expression of GluR2. Neuroscience. 2007 Mar 2;145(1):100-9. Epub 2007 Jan 3.@@Dildy-Mayfield JE, Eger EI 2nd, Harris RA: Anesthetics produce subunit-selective actions on glutamate receptors. J Pharmacol Exp Ther. 1996 Mar;276(3):1058-65." Approved; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Anesthetics, General; Nicotinic Antagonists; QTc Prolonging Agents; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Methyl Ethers; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation" FC(F)OC(Cl)C(F)(F)F 2019 46505880 D00545 PA450106 DAP001033 Isoflurane CHEMBL1256 6026 DB00753 Isoflurane BE0000484 ATP5D P30049 ATPD_HUMAN unknown 22796646; 19032572; 16643227 "Pravdic D, Hirata N, Barber L, Sedlic F, Bosnjak ZJ, Bienengraeber M: Complex I and ATP synthase mediate membrane depolarization and matrix acidification by isoflurane in mitochondria. Eur J Pharmacol. 2012 Sep 5;690(1-3):149-57. doi: 10.1016/j.ejphar.2012.07.003. Epub 2012 Jul 11.@@Bains R, Moe MC, Vinje ML, Berg-Johnsen J: Isoflurane-induced depolarization of neural mitochondria increases with age. Acta Anaesthesiol Scand. 2009 Jan;53(1):85-92. doi: 10.1111/j.1399-6576.2008.01823.x. Epub 2008 Nov 12.@@Bains R, Moe MC, Larsen GA, Berg-Johnsen J, Vinje ML: Volatile anaesthetics depolarize neural mitochondria by inhibiton of the electron transport chain. Acta Anaesthesiol Scand. 2006 May;50(5):572-9. doi: 10.1111/j.1399-6576.2006.00988.x." Approved; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Anesthetics, General; Nicotinic Antagonists; QTc Prolonging Agents; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Methyl Ethers; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation" FC(F)OC(Cl)C(F)(F)F 2019 46505880 D00545 PA450106 DAP001033 Isoflurane CHEMBL1256 6026 DB00753 Isoflurane BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 20660787; 12131122; 15618790 "Brannigan G, LeBard DN, Henin J, Eckenhoff RG, Klein ML: Multiple binding sites for the general anesthetic isoflurane identified in the nicotinic acetylcholine receptor transmembrane domain. Proc Natl Acad Sci U S A. 2010 Aug 10;107(32):14122-7. doi: 10.1073/pnas.1008534107. Epub 2010 Jul 26.@@Flood P, Sonner JM, Gong D, Coates KM: Isoflurane hyperalgesia is modulated by nicotinic inhibition. Anesthesiology. 2002 Jul;97(1):192-8.@@Yamashita M, Mori T, Nagata K, Yeh JZ, Narahashi T: Isoflurane modulation of neuronal nicotinic acetylcholine receptors expressed in human embryonic kidney cells. Anesthesiology. 2005 Jan;102(1):76-84." Approved; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Anesthetics, General; Nicotinic Antagonists; QTc Prolonging Agents; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Methyl Ethers; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation" FC(F)OC(Cl)C(F)(F)F 2019 46505880 D00545 PA450106 DAP001033 Isoflurane CHEMBL1256 6026 DB00755 Tretinoin BE0000663 RARA P10276 RARA_HUMAN agonist 1318502; 9160172 "Vollberg TM Sr, Nervi C, George MD, Fujimoto W, Krust A, Jetten AM: Retinoic acid receptors as regulators of human epidermal keratinocyte differentiation. Mol Endocrinol. 1992 May;6(5):667-76.@@Regazzi MB, Iacona I, Gervasutti C, Lazzarino M, Toma S: Clinical pharmacokinetics of tretinoin. Clin Pharmacokinet. 1997 May;32(5):382-402. doi: 10.2165/00003088-199732050-00004." Approved; Investigational; Nutraceutical "Anti-Acne Preparations for Topical Use; Retinoids for cancer treatment; Vitamin A; UGT2B7 substrates; Vitamins; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Substrates; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cytochrome P-450 CYP2B6 Substrates; Hypotensive Agents; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Cytochrome P-450 CYP2A6 Substrates; Diterpenes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Retinoids; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Polyenes; Retinoids for Topical Use in Acne; Cell Stimulants and Proliferants; Keratolytic Agents; Carotenoids" C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O Retinol Metabolism; Vitamin A Deficiency disease; metabolic 5054 46504843 D00094 PA164746900 DNC000117 Tretinoin CHEMBL38 10753 DB00755 Tretinoin BE0000206 RARB P10826 RARB_HUMAN agonist 15958702; 9160172 "Steidl U, Schroeder T, Steidl C, Kobbe G, Graef T, Bork S, Pechtel S, Kliszewski S, Kuendgen A, Rohr UP, Fenk R, Schroeder M, Haase D, Haas R, Kronenwett R: Distinct gene expression pattern of malignant hematopoietic stem and progenitor cells in polycythemia vera. Ann N Y Acad Sci. 2005 Jun;1044:94-108.@@Regazzi MB, Iacona I, Gervasutti C, Lazzarino M, Toma S: Clinical pharmacokinetics of tretinoin. Clin Pharmacokinet. 1997 May;32(5):382-402. doi: 10.2165/00003088-199732050-00004." Approved; Investigational; Nutraceutical "Anti-Acne Preparations for Topical Use; Retinoids for cancer treatment; Vitamin A; UGT2B7 substrates; Vitamins; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Substrates; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cytochrome P-450 CYP2B6 Substrates; Hypotensive Agents; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Cytochrome P-450 CYP2A6 Substrates; Diterpenes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Retinoids; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Polyenes; Retinoids for Topical Use in Acne; Cell Stimulants and Proliferants; Keratolytic Agents; Carotenoids" C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O Retinol Metabolism; Vitamin A Deficiency disease; metabolic 5054 46504843 D00094 PA164746900 DNC000117 Tretinoin CHEMBL38 10753 DB00755 Tretinoin BE0000144 RARG P13631 RARG_HUMAN agonist 17139284; 17016423; 1332684; 8394693; 10792999; 10592235; 11752352; 9160172 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Reddy AP, Chen JY, Zacharewski T, Gronemeyer H, Voorhees JJ, Fisher GJ: Characterization and purification of human retinoic acid receptor-gamma 1 overexpressed in the baculovirus-insect cell system. Biochem J. 1992 Nov 1;287 ( Pt 3):833-40.@@Kamei Y, Kawada T, Kazuki R, Sugimoto E: Retinoic acid receptor gamma 2 gene expression is up-regulated by retinoic acid in 3T3-L1 preadipocytes. Biochem J. 1993 Aug 1;293 ( Pt 3):807-12.@@Borger DR, Mi Y, Geslani G, Zyzak LL, Batova A, Engin TS, Pirisi L, Creek KE: Retinoic acid resistance at late stages of human papillomavirus type 16-mediated transformation of human keratinocytes arises despite intact retinoid signaling and is due to a loss of sensitivity to transforming growth factor-beta. Virology. 2000 May 10;270(2):397-407.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Regazzi MB, Iacona I, Gervasutti C, Lazzarino M, Toma S: Clinical pharmacokinetics of tretinoin. Clin Pharmacokinet. 1997 May;32(5):382-402. doi: 10.2165/00003088-199732050-00004." Approved; Investigational; Nutraceutical "Anti-Acne Preparations for Topical Use; Retinoids for cancer treatment; Vitamin A; UGT2B7 substrates; Vitamins; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Substrates; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cytochrome P-450 CYP2B6 Substrates; Hypotensive Agents; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Cytochrome P-450 CYP2A6 Substrates; Diterpenes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Retinoids; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Polyenes; Retinoids for Topical Use in Acne; Cell Stimulants and Proliferants; Keratolytic Agents; Carotenoids" C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O Retinol Metabolism; Vitamin A Deficiency disease; metabolic 5054 46504843 D00094 PA164746900 DNC000117 Tretinoin CHEMBL38 10753 DB00755 Tretinoin BE0000412 RXRA P19793 RXRA_HUMAN agonist 16946489; 9160172 "Mizuguchi Y, Wada A, Nakagawa K, Ito M, Okano T: Antitumoral activity of 13-demethyl or 13-substituted analogues of all-trans retinoic acid and 9-cis retinoic acid in the human myeloid leukemia cell line HL-60. Biol Pharm Bull. 2006 Sep;29(9):1803-9.@@Regazzi MB, Iacona I, Gervasutti C, Lazzarino M, Toma S: Clinical pharmacokinetics of tretinoin. Clin Pharmacokinet. 1997 May;32(5):382-402. doi: 10.2165/00003088-199732050-00004." Approved; Investigational; Nutraceutical "Anti-Acne Preparations for Topical Use; Retinoids for cancer treatment; Vitamin A; UGT2B7 substrates; Vitamins; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Substrates; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cytochrome P-450 CYP2B6 Substrates; Hypotensive Agents; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Cytochrome P-450 CYP2A6 Substrates; Diterpenes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Retinoids; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Polyenes; Retinoids for Topical Use in Acne; Cell Stimulants and Proliferants; Keratolytic Agents; Carotenoids" C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O Retinol Metabolism; Vitamin A Deficiency disease; metabolic 5054 46504843 D00094 PA164746900 DNC000117 Tretinoin CHEMBL38 10753 DB00755 Tretinoin BE0000707 RXRG P48443 RXRG_HUMAN agonist 17161848; 17182884; 16456186; 16420438; 14993281; 9160172 "Koda T, Imai H, Morita M: Antiestrogenic activity of vitamin A in in vivo uterotrophic assay. Life Sci. 2007 Feb 13;80(10):945-9. Epub 2006 Nov 22.@@He JC, Lu TC, Fleet M, Sunamoto M, Husain M, Fang W, Neves S, Chen Y, Shankland S, Iyengar R, Klotman PE: Retinoic acid inhibits HIV-1-induced podocyte proliferation through the cAMP pathway. J Am Soc Nephrol. 2007 Jan;18(1):93-102. Epub 2006 Dec 20.@@Day RM, Lee YH, Park AM, Suzuki YJ: Retinoic acid inhibits airway smooth muscle cell migration. Am J Respir Cell Mol Biol. 2006 Jun;34(6):695-703. Epub 2006 Feb 2.@@Schrage K, Koopmans G, Joosten EA, Mey J: Macrophages and neurons are targets of retinoic acid signaling after spinal cord contusion injury. Eur J Neurosci. 2006 Jan;23(2):285-95.@@Wang J, Yen A: A novel retinoic acid-responsive element regulates retinoic acid-induced BLR1 expression. Mol Cell Biol. 2004 Mar;24(6):2423-43.@@Regazzi MB, Iacona I, Gervasutti C, Lazzarino M, Toma S: Clinical pharmacokinetics of tretinoin. Clin Pharmacokinet. 1997 May;32(5):382-402. doi: 10.2165/00003088-199732050-00004." Approved; Investigational; Nutraceutical "Anti-Acne Preparations for Topical Use; Retinoids for cancer treatment; Vitamin A; UGT2B7 substrates; Vitamins; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Substrates; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cytochrome P-450 CYP2B6 Substrates; Hypotensive Agents; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Cytochrome P-450 CYP2A6 Substrates; Diterpenes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Retinoids; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Polyenes; Retinoids for Topical Use in Acne; Cell Stimulants and Proliferants; Keratolytic Agents; Carotenoids" C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O Retinol Metabolism; Vitamin A Deficiency disease; metabolic 5054 46504843 D00094 PA164746900 DNC000117 Tretinoin CHEMBL38 10753 DB00755 Tretinoin BE0000653 RARRES1 P49788 TIG1_HUMAN agonist 15059893; 15897880 "Youssef EM, Chen XQ, Higuchi E, Kondo Y, Garcia-Manero G, Lotan R, Issa JP: Hypermethylation and silencing of the putative tumor suppressor Tazarotene-induced gene 1 in human cancers. Cancer Res. 2004 Apr 1;64(7):2411-7.@@Zirn B, Samans B, Spangenberg C, Graf N, Eilers M, Gessler M: All-trans retinoic acid treatment of Wilms tumor cells reverses expression of genes associated with high risk and relapse in vivo. Oncogene. 2005 Aug 4;24(33):5246-51." Approved; Investigational; Nutraceutical "Anti-Acne Preparations for Topical Use; Retinoids for cancer treatment; Vitamin A; UGT2B7 substrates; Vitamins; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Substrates; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cytochrome P-450 CYP2B6 Substrates; Hypotensive Agents; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Cytochrome P-450 CYP2A6 Substrates; Diterpenes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Retinoids; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Polyenes; Retinoids for Topical Use in Acne; Cell Stimulants and Proliferants; Keratolytic Agents; Carotenoids" C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O Retinol Metabolism; Vitamin A Deficiency disease; metabolic 5054 46504843 D00094 PA164746900 DNC000117 Tretinoin CHEMBL38 10753 DB00755 Tretinoin BE0000554 ALDH1A1 P00352 AL1A1_HUMAN substrate 15366004; 15245423; 16837774; 16207763; 16166285 "Mic FA, Molotkov A, Molotkova N, Duester G: Raldh2 expression in optic vesicle generates a retinoic acid signal needed for invagination of retina during optic cup formation. Dev Dyn. 2004 Oct;231(2):270-7.@@Everts HB, King LE Jr, Sundberg JP, Ong DE: Hair cycle-specific immunolocalization of retinoic acid synthesizing enzymes Aldh1a2 and Aldh1a3 indicate complex regulation. J Invest Dermatol. 2004 Aug;123(2):258-63.@@Gidlof AC, Ocaya P, Olofsson PS, Torma H, Sirsjo A: Differences in retinol metabolism and proliferative response between neointimal and medial smooth muscle cells. J Vasc Res. 2006;43(4):392-8. Epub 2006 Jul 6.@@Matt N, Dupe V, Garnier JM, Dennefeld C, Chambon P, Mark M, Ghyselinck NB: Retinoic acid-dependent eye morphogenesis is orchestrated by neural crest cells. Development. 2005 Nov;132(21):4789-800. Epub 2005 Oct 5.@@Kim H, Lapointe J, Kaygusuz G, Ong DE, Li C, van de Rijn M, Brooks JD, Pollack JR: The retinoic acid synthesis gene ALDH1a2 is a candidate tumor suppressor in prostate cancer. Cancer Res. 2005 Sep 15;65(18):8118-24." Approved; Investigational; Nutraceutical "Anti-Acne Preparations for Topical Use; Retinoids for cancer treatment; Vitamin A; UGT2B7 substrates; Vitamins; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Substrates; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cytochrome P-450 CYP2B6 Substrates; Hypotensive Agents; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Cytochrome P-450 CYP2A6 Substrates; Diterpenes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Retinoids; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Polyenes; Retinoids for Topical Use in Acne; Cell Stimulants and Proliferants; Keratolytic Agents; Carotenoids" C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O Retinol Metabolism; Vitamin A Deficiency disease; metabolic 5054 46504843 D00094 PA164746900 DNC000117 Tretinoin CHEMBL38 10753 DB00755 Tretinoin BE0000513 ALDH1A2 O94788 AL1A2_HUMAN substrate 15069081; 15299009; 15366004; 15950488; 15950969 "Mic FA, Sirbu IO, Duester G: Retinoic acid synthesis controlled by Raldh2 is required early for limb bud initiation and then later as a proximodistal signal during apical ectodermal ridge formation. J Biol Chem. 2004 Jun 18;279(25):26698-706. Epub 2004 Apr 6.@@Bordelon T, Montegudo SK, Pakhomova S, Oldham ML, Newcomer ME: A disorder to order transition accompanies catalysis in retinaldehyde dehydrogenase type II. J Biol Chem. 2004 Oct 8;279(41):43085-91. Epub 2004 Aug 7.@@Mic FA, Molotkov A, Molotkova N, Duester G: Raldh2 expression in optic vesicle generates a retinoic acid signal needed for invagination of retina during optic cup formation. Dev Dyn. 2004 Oct;231(2):270-7.@@Doxakis E, Davies AM: Retinoic acid negatively regulates GDNF and neurturin receptor expression and responsiveness in embryonic chicken sympathetic neurons. Mol Cell Neurosci. 2005 Aug;29(4):617-27.@@Everts HB, Sundberg JP, Ong DE: Immunolocalization of retinoic acid biosynthesis systems in selected sites in rat. Exp Cell Res. 2005 Aug 15;308(2):309-19." Approved; Investigational; Nutraceutical "Anti-Acne Preparations for Topical Use; Retinoids for cancer treatment; Vitamin A; UGT2B7 substrates; Vitamins; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Substrates; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cytochrome P-450 CYP2B6 Substrates; Hypotensive Agents; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Cytochrome P-450 CYP2A6 Substrates; Diterpenes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Retinoids; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Polyenes; Retinoids for Topical Use in Acne; Cell Stimulants and Proliferants; Keratolytic Agents; Carotenoids" C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O Retinol Metabolism; Vitamin A Deficiency disease; metabolic 5054 46504843 D00094 PA164746900 DNC000117 Tretinoin CHEMBL38 10753 DB00756 Hexachlorophene BE0000180 GLUD1 P00367 DHE3_HUMAN inhibitor 19531491; 570044 "Li M, Smith CJ, Walker MT, Smith TJ: Novel inhibitors complexed with glutamate dehydrogenase: allosteric regulation by control of protein dynamics. J Biol Chem. 2009 Aug 21;284(34):22988-3000. doi: 10.1074/jbc.M109.020222. Epub 2009 Jun 15.@@Wang JL, Buhler DR: Inhibition of dehydrogenase enzymes by hexachlorophene. Biochem Pharmacol. 1978;27(24):2947-53." Approved; Withdrawn Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Anti-Infective Agents; Phenol and Derivatives; Anti-Infective Agents, Local; Phenols; Chlorophenols; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Dermatologicals; Benzene Derivatives; Chlorobenzenes; Antiseptics and Disinfectants" OC1=C(CC2=C(O)C(Cl)=CC(Cl)=C2Cl)C(Cl)=C(Cl)C=C1Cl 9751 46505858 D00859 PA449871 DAP001050 Hexachlorophene CHEMBL496 5293 DB00756 Hexachlorophene BE0000123 ESR1 P03372 ESR1_HUMAN 15081572 "Jung J, Ishida K, Nishihara T: Anti-estrogenic activity of fifty chemicals evaluated by in vitro assays. Life Sci. 2004 May 7;74(25):3065-74." Approved; Withdrawn Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Anti-Infective Agents; Phenol and Derivatives; Anti-Infective Agents, Local; Phenols; Chlorophenols; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Dermatologicals; Benzene Derivatives; Chlorobenzenes; Antiseptics and Disinfectants" OC1=C(CC2=C(O)C(Cl)=CC(Cl)=C2Cl)C(Cl)=C(Cl)C=C1Cl 9751 46505858 D00859 PA449871 DAP001050 Hexachlorophene CHEMBL496 5293 DB00758 Clopidogrel BE0000110 P2RY12 Q9H244 P2Y12_HUMAN antagonist 14668029; 15199474; 15269827; 15291969; 15308557; 19463375; 16835302; 12615691 "Dorsam RT, Murugappan S, Ding Z, Kunapuli SP: Clopidogrel: interactions with the P2Y12 receptor and clinical relevance. Hematology. 2003 Dec;8(6):359-65.@@Herbert JM, Savi P: P2Y12, a new platelet ADP receptor, target of clopidogrel. Semin Vasc Med. 2003 May;3(2):113-22.@@Taubert D, Kastrati A, Harlfinger S, Gorchakova O, Lazar A, von Beckerath N, Schomig A, Schomig E: Pharmacokinetics of clopidogrel after administration of a high loading dose. Thromb Haemost. 2004 Aug;92(2):311-6.@@Wang L, Jacobsen SE, Bengtsson A, Erlinge D: P2 receptor mRNA expression profiles in human lymphocytes, monocytes and CD34+ stem and progenitor cells. BMC Immunol. 2004 Aug 3;5:16.@@Wihlborg AK, Wang L, Braun OO, Eyjolfsson A, Gustafsson R, Gudbjartsson T, Erlinge D: ADP receptor P2Y12 is expressed in vascular smooth muscle cells and stimulates contraction in human blood vessels. Arterioscler Thromb Vasc Biol. 2004 Oct;24(10):1810-5. Epub 2004 Aug 12.@@Gladding P, Webster M, Zeng I, Farrell H, Stewart J, Ruygrok P, Ormiston J, El-Jack S, Armstrong G, Kay P, Scott D, Gunes A, Dahl ML: The pharmacogenetics and pharmacodynamics of clopidogrel response: an analysis from the PRINC (Plavix Response in Coronary Intervention) trial. JACC Cardiovasc Interv. 2008 Dec;1(6):620-7. doi: 10.1016/j.jcin.2008.09.008.@@Savi P, Zachayus JL, Delesque-Touchard N, Labouret C, Herve C, Uzabiaga MF, Pereillo JM, Culouscou JM, Bono F, Ferrara P, Herbert JM: The active metabolite of Clopidogrel disrupts P2Y12 receptor oligomers and partitions them out of lipid rafts. Proc Natl Acad Sci U S A. 2006 Jul 18;103(29):11069-74. Epub 2006 Jul 11.@@van Gestel MA, Heemskerk JW, Slaaf DW, Heijnen VV, Reneman RS, oude Egbrink MG: In vivo blockade of platelet ADP receptor P2Y12 reduces embolus and thrombus formation but not thrombus stability. Arterioscler Thromb Vasc Biol. 2003 Mar 1;23(3):518-23. Epub 2003 Jan 23." Approved Alpha amino acid esters "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Purinergic P2Y Receptor Antagonists; Cytochrome P-450 CYP2B6 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thienopyridines; Pyridines; Purinergic Antagonists; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Platelet Aggregation Inhibitors Excl. Heparin; Purinergic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; P2Y12 Platelet Inhibitor; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antiplatelet agents; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Purinergic P2 Receptor Antagonists; Decreased Platelet Aggregation; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Hematologic Agents; OCT1 inhibitors; Thiophenes; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)" [H][C@@](N1CCC2=C(C1)C=CS2)(C(=O)OC)C1=CC=CC=C1Cl Clopidogrel Action Pathway; Clopidogrel Metabolism Pathway drug_metabolism; drug_action 11795 46507295 D00769 PA449053 DAP000178 Clopidogrel CHEMBL1771 32968 DB00759 Tetracycline BE0001105 PRNP P04156 PRIO_HUMAN inhibitor 11752352; 18365024 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@De Luigi A, Colombo L, Diomede L, Capobianco R, Mangieri M, Miccolo C, Limido L, Forloni G, Tagliavini F, Salmona M: The efficacy of tetracyclines in peripheral and intracerebral prion infection. PLoS One. 2008 Mar 26;3(3):e1888. doi: 10.1371/journal.pone.0001888." Approved; Vet_approved; Withdrawn Tetracyclines Organic compounds; Phenylpropanoids and polyketides; Tetracyclines Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Agents that produce neuromuscular block (indirect); OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Naphthacenes; Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; Drugs for Acid Related Disorders; Dermatologicals; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; Cytochrome P-450 Substrates; Antiinfectives and Antiseptics for Local Oral Treatment; Cytochrome P-450 Enzyme Inhibitors; Protein Synthesis Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Stomatological Preparations; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Otologicals; Ophthalmological and Otological Preparations; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antibacterials for Systemic Use; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Ophthalmologicals; Antibiotics for Topical Use; Tetracyclines; Sensory Organs [H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O Tetracycline Action Pathway drug_action 8683 46506693 D00201 PA451640 DAP001527 Tetracycline CHEMBL1440 10395 DB00761 Potassium chloride BE0000281 SLC12A2 P55011 S12A2_HUMAN 17139284; 17016423; 12920401 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Hebert SC: Bartter syndrome. Curr Opin Nephrol Hypertens. 2003 Sep;12(5):527-32." Approved; Withdrawn Alkali metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Alkali metal salts; Alkali metal chlorides Minerals; Blood Substitutes and Perfusion Solutions; Potassium Salt; Hemodialysis Solution; Replacement Preparations; I.V. Solution Additives; Mineral Supplements; Agents causing hyperkalemia; Blood and Blood Forming Organs; Chlorides; Chlorine Compounds; Drugs that are Mainly Renally Excreted; Electrolyte Solutions; Alimentary Tract and Metabolism; Potassium Compounds [Cl-].[K+] 6485 46506038 D02060 PA451055 DAP000828 Potassium_chloride CHEMBL1200731 8591 DB00761 Potassium chloride BE0000047 SLC12A5 Q9H2X9 S12A5_HUMAN 17134779; 16936706; 16949074; 17008020; 17418819 "Takayama C, Inoue Y: Developmental localization of potassium chloride co-transporter 2 (KCC2) in the Purkinje cells of embryonic mouse cerebellum. Neurosci Res. 2007 Feb;57(2):322-5. Epub 2006 Nov 28.@@Tornberg J, Segerstrale M, Kulesskaya N, Voikar V, Taira T, Airaksinen MS: KCC2-deficient mice show reduced sensitivity to diazepam, but normal alcohol-induced motor impairment, gaboxadol-induced sedation, and neurosteroid-induced hypnosis. Neuropsychopharmacology. 2007 Apr;32(4):911-8. Epub 2006 Aug 16.@@Misri S, Chimote AA, Adragna NC, Warwar R, Brown TL, Lauf PK: KCC isoforms in a human lens epithelial cell line (B3) and lens tissue extracts. Exp Eye Res. 2006 Nov;83(5):1287-94. Epub 2006 Sep 1.@@Takayama C, Inoue Y: Developmental localization of potassium chloride co-transporter 2 in granule cells of the early postnatal mouse cerebellum with special reference to the synapse formation. Neuroscience. 2006 Dec;143(3):757-67. Epub 2006 Sep 27.@@Capo-Aponte JE, Wang Z, Bildin VN, Iserovich P, Pan Z, Zhang F, Pokorny KS, Reinach PS: Functional and molecular characterization of multiple K-Cl cotransporter isoforms in corneal epithelial cells. Exp Eye Res. 2007 Jun;84(6):1090-103. Epub 2007 Feb 16." Approved; Withdrawn Alkali metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Alkali metal salts; Alkali metal chlorides Minerals; Blood Substitutes and Perfusion Solutions; Potassium Salt; Hemodialysis Solution; Replacement Preparations; I.V. Solution Additives; Mineral Supplements; Agents causing hyperkalemia; Blood and Blood Forming Organs; Chlorides; Chlorine Compounds; Drugs that are Mainly Renally Excreted; Electrolyte Solutions; Alimentary Tract and Metabolism; Potassium Compounds [Cl-].[K+] 6485 46506038 D02060 PA451055 DAP000828 Potassium_chloride CHEMBL1200731 8591 DB00761 Potassium chloride BE0000140 SLC12A6 Q9UHW9 S12A6_HUMAN 16949074; 17418819; 16943364 "Misri S, Chimote AA, Adragna NC, Warwar R, Brown TL, Lauf PK: KCC isoforms in a human lens epithelial cell line (B3) and lens tissue extracts. Exp Eye Res. 2006 Nov;83(5):1287-94. Epub 2006 Sep 1.@@Capo-Aponte JE, Wang Z, Bildin VN, Iserovich P, Pan Z, Zhang F, Pokorny KS, Reinach PS: Functional and molecular characterization of multiple K-Cl cotransporter isoforms in corneal epithelial cells. Exp Eye Res. 2007 Jun;84(6):1090-103. Epub 2007 Feb 16.@@Klein T, Cooper TG, Yeung CH: The role of potassium chloride cotransporters in murine and human sperm volume regulation. Biol Reprod. 2006 Dec;75(6):853-8. Epub 2006 Aug 30." Approved; Withdrawn Alkali metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Alkali metal salts; Alkali metal chlorides Minerals; Blood Substitutes and Perfusion Solutions; Potassium Salt; Hemodialysis Solution; Replacement Preparations; I.V. Solution Additives; Mineral Supplements; Agents causing hyperkalemia; Blood and Blood Forming Organs; Chlorides; Chlorine Compounds; Drugs that are Mainly Renally Excreted; Electrolyte Solutions; Alimentary Tract and Metabolism; Potassium Compounds [Cl-].[K+] 6485 46506038 D02060 PA451055 DAP000828 Potassium_chloride CHEMBL1200731 8591 DB00761 Potassium chloride BE0000276 SLC12A7 Q9Y666 S12A7_HUMAN 16949074; 17418819; 16943364 "Misri S, Chimote AA, Adragna NC, Warwar R, Brown TL, Lauf PK: KCC isoforms in a human lens epithelial cell line (B3) and lens tissue extracts. Exp Eye Res. 2006 Nov;83(5):1287-94. Epub 2006 Sep 1.@@Capo-Aponte JE, Wang Z, Bildin VN, Iserovich P, Pan Z, Zhang F, Pokorny KS, Reinach PS: Functional and molecular characterization of multiple K-Cl cotransporter isoforms in corneal epithelial cells. Exp Eye Res. 2007 Jun;84(6):1090-103. Epub 2007 Feb 16.@@Klein T, Cooper TG, Yeung CH: The role of potassium chloride cotransporters in murine and human sperm volume regulation. Biol Reprod. 2006 Dec;75(6):853-8. Epub 2006 Aug 30." Approved; Withdrawn Alkali metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Alkali metal salts; Alkali metal chlorides Minerals; Blood Substitutes and Perfusion Solutions; Potassium Salt; Hemodialysis Solution; Replacement Preparations; I.V. Solution Additives; Mineral Supplements; Agents causing hyperkalemia; Blood and Blood Forming Organs; Chlorides; Chlorine Compounds; Drugs that are Mainly Renally Excreted; Electrolyte Solutions; Alimentary Tract and Metabolism; Potassium Compounds [Cl-].[K+] 6485 46506038 D02060 PA451055 DAP000828 Potassium_chloride CHEMBL1200731 8591 DB00761 Potassium chloride BE0000601 SLC12A4 Q9UP95 S12A4_HUMAN 16949074; 17418819; 16943364 "Misri S, Chimote AA, Adragna NC, Warwar R, Brown TL, Lauf PK: KCC isoforms in a human lens epithelial cell line (B3) and lens tissue extracts. Exp Eye Res. 2006 Nov;83(5):1287-94. Epub 2006 Sep 1.@@Capo-Aponte JE, Wang Z, Bildin VN, Iserovich P, Pan Z, Zhang F, Pokorny KS, Reinach PS: Functional and molecular characterization of multiple K-Cl cotransporter isoforms in corneal epithelial cells. Exp Eye Res. 2007 Jun;84(6):1090-103. Epub 2007 Feb 16.@@Klein T, Cooper TG, Yeung CH: The role of potassium chloride cotransporters in murine and human sperm volume regulation. Biol Reprod. 2006 Dec;75(6):853-8. Epub 2006 Aug 30." Approved; Withdrawn Alkali metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Alkali metal salts; Alkali metal chlorides Minerals; Blood Substitutes and Perfusion Solutions; Potassium Salt; Hemodialysis Solution; Replacement Preparations; I.V. Solution Additives; Mineral Supplements; Agents causing hyperkalemia; Blood and Blood Forming Organs; Chlorides; Chlorine Compounds; Drugs that are Mainly Renally Excreted; Electrolyte Solutions; Alimentary Tract and Metabolism; Potassium Compounds [Cl-].[K+] 6485 46506038 D02060 PA451055 DAP000828 Potassium_chloride CHEMBL1200731 8591 DB00762 Irinotecan BE0000091 TOP1MT Q969P6 TOP1M_HUMAN inhibitor 17139284; 17016423; 15170677; 15255290; 15975002; 16309825; 16454746; 11752352; 19852077; 9342501 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Yoshikawa M, Ikegami Y, Hayasaka S, Ishii K, Ito A, Sano K, Suzuki T, Togawa T, Yoshida H, Soda H, Oka M, Kohno S, Sawada S, Ishikawa T, Tanabe S: Novel camptothecin analogues that circumvent ABCG2-associated drug resistance in human tumor cells. Int J Cancer. 2004 Jul 20;110(6):921-7.@@Yoshikawa M, Ikegami Y, Sano K, Yoshida H, Mitomo H, Sawada S, Ishikawa T: Transport of SN-38 by the wild type of human ABC transporter ABCG2 and its inhibition by quercetin, a natural flavonoid. J Exp Ther Oncol. 2004 Apr;4(1):25-35.@@Yang X, Hu Z, Chan SY, Chan E, Goh BC, Duan W, Zhou S: Novel agents that potentially inhibit irinotecan-induced diarrhea. Curr Med Chem. 2005;12(11):1343-58.@@Nakagawa H, Saito H, Ikegami Y, Aida-Hyugaji S, Sawada S, Ishikawa T: Molecular modeling of new camptothecin analogues to circumvent ABCG2-mediated drug resistance in cancer. Cancer Lett. 2006 Mar 8;234(1):81-9. Epub 2005 Nov 23.@@Ishikawa T, Ikegami Y, Sano K, Nakagawa H, Sawada S: Transport mechanism-based drug molecular design: novel camptothecin analogues to circumvent ABCG2-associated drug resistance of human tumor cells. Curr Pharm Des. 2006;12(3):313-25.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ramesh M, Ahlawat P, Srinivas NR: Irinotecan and its active metabolite, SN-38: review of bioanalytical methods and recent update from clinical pharmacology perspectives. Biomed Chromatogr. 2010 Jan;24(1):104-23. doi: 10.1002/bmc.1345.@@Chabot GG: Clinical pharmacokinetics of irinotecan. Clin Pharmacokinet. 1997 Oct;33(4):245-59." Approved; Investigational Camptothecins Organic compounds; Alkaloids and derivatives; Camptothecins OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Carbohydrates; Topoisomerase Inhibitors; Cytochrome P-450 CYP3A Substrates; Disaccharides; Topoisomerase I Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Topoisomerase 1 (TOP1) inhibitors; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP3A5 Substrates; Oligosaccharides; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Pharmaceutical Preparations; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Polysaccharides; Cholinesterase substrates; UGT1A1 Substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=C12 Irinotecan Action Pathway; Irinotecan Metabolism Pathway drug_metabolism; drug_action 22885 46505871 D08086 PA450085 DAP001339 Irinotecan CHEMBL481 51499 DB00762 Irinotecan BE0000971 TOP1 P11387 TOP1_HUMAN inhibitor 15170677; 15255290; 15975002; 16309825; 16454746; 11752352; 19852077; 9342501 "Yoshikawa M, Ikegami Y, Hayasaka S, Ishii K, Ito A, Sano K, Suzuki T, Togawa T, Yoshida H, Soda H, Oka M, Kohno S, Sawada S, Ishikawa T, Tanabe S: Novel camptothecin analogues that circumvent ABCG2-associated drug resistance in human tumor cells. Int J Cancer. 2004 Jul 20;110(6):921-7.@@Yoshikawa M, Ikegami Y, Sano K, Yoshida H, Mitomo H, Sawada S, Ishikawa T: Transport of SN-38 by the wild type of human ABC transporter ABCG2 and its inhibition by quercetin, a natural flavonoid. J Exp Ther Oncol. 2004 Apr;4(1):25-35.@@Yang X, Hu Z, Chan SY, Chan E, Goh BC, Duan W, Zhou S: Novel agents that potentially inhibit irinotecan-induced diarrhea. Curr Med Chem. 2005;12(11):1343-58.@@Nakagawa H, Saito H, Ikegami Y, Aida-Hyugaji S, Sawada S, Ishikawa T: Molecular modeling of new camptothecin analogues to circumvent ABCG2-mediated drug resistance in cancer. Cancer Lett. 2006 Mar 8;234(1):81-9. Epub 2005 Nov 23.@@Ishikawa T, Ikegami Y, Sano K, Nakagawa H, Sawada S: Transport mechanism-based drug molecular design: novel camptothecin analogues to circumvent ABCG2-associated drug resistance of human tumor cells. Curr Pharm Des. 2006;12(3):313-25.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ramesh M, Ahlawat P, Srinivas NR: Irinotecan and its active metabolite, SN-38: review of bioanalytical methods and recent update from clinical pharmacology perspectives. Biomed Chromatogr. 2010 Jan;24(1):104-23. doi: 10.1002/bmc.1345.@@Chabot GG: Clinical pharmacokinetics of irinotecan. Clin Pharmacokinet. 1997 Oct;33(4):245-59." Approved; Investigational Camptothecins Organic compounds; Alkaloids and derivatives; Camptothecins OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Carbohydrates; Topoisomerase Inhibitors; Cytochrome P-450 CYP3A Substrates; Disaccharides; Topoisomerase I Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Topoisomerase 1 (TOP1) inhibitors; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP3A5 Substrates; Oligosaccharides; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Pharmaceutical Preparations; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Polysaccharides; Cholinesterase substrates; UGT1A1 Substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=C12 Irinotecan Action Pathway; Irinotecan Metabolism Pathway drug_metabolism; drug_action 22885 46505871 D08086 PA450085 DAP001339 Irinotecan CHEMBL481 51499 DB00764 Mometasone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 8439518; 10518812; 9793625; 12127907; 11752352 "Isogai M, Shimizu H, Esumi Y, Terasawa T, Okada T, Sugeno K: Binding affinities of mometasone furoate and related compounds including its metabolites for the glucocorticoid receptor of rat skin tissue. J Steroid Biochem Mol Biol. 1993 Feb;44(2):141-5.@@Lumry WR: A review of the preclinical and clinical data of newer intranasal steroids used in the treatment of allergic rhinitis. J Allergy Clin Immunol. 1999 Oct;104(4 Pt 1):S150-8.@@Smith CL, Kreutner W: In vitro glucocorticoid receptor binding and transcriptional activation by topically active glucocorticoids. Arzneimittelforschung. 1998 Sep;48(9):956-60.@@Zhang X, Moilanen E, Adcock IM, Lindsay MA, Kankaanranta H: Divergent effect of mometasone on human eosinophil and neutrophil apoptosis. Life Sci. 2002 Aug 16;71(13):1523-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Allergic Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Steroids; Nasal Preparations; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Pregnadienediols; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Adrenals; Pregnanes" [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7504 46505288 D08227 PA450541 DAP001042 Mometasone CHEMBL1201404 108118 DB00764 Mometasone BE0000557 PGR P06401 PRGR_HUMAN agonist 15189034 "Madauss KP, Deng SJ, Austin RJ, Lambert MH, McLay I, Pritchard J, Short SA, Stewart EL, Uings IJ, Williams SP: Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes. J Med Chem. 2004 Jun 17;47(13):3381-7." Experimental "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Allergic Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Steroids; Nasal Preparations; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Pregnadienediols; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Adrenals; Pregnanes" [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7504 46505288 D08227 PA450541 DAP001042 Mometasone CHEMBL1201404 108118 DB00767 Benzquinamide BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 17139284; 17016423; 2905706; 6130555 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Maurer H, Pfleger K: Identification and differentiation of alkylamine antihistamines and their metabolites in urine by computerized gas chromatography-mass spectrometry. J Chromatogr. 1988 Aug 19;430(1):31-41.@@Niemegeers CJ: Antiemetic specificity of dopamine antagonists. Psychopharmacology (Berl). 1982;78(3):210-3." Withdrawn Tetrahydroisoquinolines Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines "P-glycoprotein inhibitors; Anticholinergic Agents; Muscarinic Antagonists; Heterocyclic Compounds, Fused-Ring; Histamine Antagonists; Histamine H1 Antagonists; Agents producing tachycardia" CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O 46506155 D00243 PA164749018 DAP000713 Benzquinamide CHEMBL1201250 19041 DB00767 Benzquinamide BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Withdrawn Tetrahydroisoquinolines Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines "P-glycoprotein inhibitors; Anticholinergic Agents; Muscarinic Antagonists; Heterocyclic Compounds, Fused-Ring; Histamine Antagonists; Histamine H1 Antagonists; Agents producing tachycardia" CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O 46506155 D00243 PA164749018 DAP000713 Benzquinamide CHEMBL1201250 19041 DB00767 Benzquinamide BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Withdrawn Tetrahydroisoquinolines Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines "P-glycoprotein inhibitors; Anticholinergic Agents; Muscarinic Antagonists; Heterocyclic Compounds, Fused-Ring; Histamine Antagonists; Histamine H1 Antagonists; Agents producing tachycardia" CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O 46506155 D00243 PA164749018 DAP000713 Benzquinamide CHEMBL1201250 19041 DB00767 Benzquinamide BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Withdrawn Tetrahydroisoquinolines Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines "P-glycoprotein inhibitors; Anticholinergic Agents; Muscarinic Antagonists; Heterocyclic Compounds, Fused-Ring; Histamine Antagonists; Histamine H1 Antagonists; Agents producing tachycardia" CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O 46506155 D00243 PA164749018 DAP000713 Benzquinamide CHEMBL1201250 19041 DB00768 Olopatadine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 15942272; 12046981; 8951675; 15646365; 11496828; 20482305; 20406593; 20402382; 11752352 "Tamura T, Masaki S, Ohmori K, Karasawa A: Effect of olopatadine and other histamine H1 receptor antagonists on the skin inflammation induced by repeated topical application of oxazolone in mice. Pharmacology. 2005 Dec;75(1):45-52. Epub 2005 Jun 7.@@Ohmori K, Hayashi K, Kaise T, Ohshima E, Kobayashi S, Yamazaki T, Mukouyama A: Pharmacological, pharmacokinetic and clinical properties of olopatadine hydrochloride, a new antiallergic drug. Jpn J Pharmacol. 2002 Apr;88(4):379-97.@@Yanni JM, Stephens DJ, Miller ST, Weimer LK, Graff G, Parnell D, Lang LS, Spellman JM, Brady MT, Gamache DA: The in vitro and in vivo ocular pharmacology of olopatadine (AL-4943A), an effective anti-allergic/antihistaminic agent. J Ocul Pharmacol Ther. 1996 Winter;12(4):389-400.@@Ohmori K, Hasegawa K, Tamura T, Miyake K, Matsubara M, Masaki S, Karasawa A, Urayama N, Horikoshi K, Kajita J, Hasegawa M, Taniguchi K, Komada T, Kawamoto Y: Properties of olopatadine hydrochloride, a new antiallergic/antihistaminic drug. Arzneimittelforschung. 2004;54(12):809-29.@@Ohmori K, Ikemura T, Kobayashi H, Mukouyama A: [Pharmacological, pharmacokinetic and clinical properties of olopatadine hydrochloride' (olopatadine), an antiallergic drug]. Nihon Yakurigaku Zasshi. 2001 Jul;118(1):51-8.@@Roland PS, Ryan MW, Wall GM: Olopatadine nasal spray for the treatment of seasonal allergic rhinitis in patients aged 6 years and older. Expert Opin Pharmacother. 2010 Jun;11(9):1559-67. doi: 10.1517/14656566.2010.485609.@@Kaliner MA, Oppenheimer J, Farrar JR: Comprehensive review of olopatadine: the molecule and its clinical entities. Allergy Asthma Proc. 2010 Mar-Apr;31(2):112-9. doi: 10.2500/aap.2010.31.3317.@@Roland PS, Marple BF, Wall GM: Olopatadine nasal spray for the treatment of allergic rhinitis. Expert Rev Clin Immunol. 2010 Mar;6(2):197-204.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Dibenzoxepines Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines "Anti-Allergic Agents; Sensory System Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Histamine H1 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; P-glycoprotein substrates; Dibenzoxepins; Nasal Preparations; Heterocyclic Compounds, Fused-Ring; Decreased Histamine Release; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Mast Cell Stabilizers; Antiallergic Agents, Excl. Corticosteroids; Central Nervous System Agents; Decongestants and Antiallergics; Ophthalmologicals; Antihistamine Drugs; Neurotransmitter Agents; Histamine Agents; Sensory Organs" CN(C)CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2 Olopatadine H1-Antihistamine Action drug_action 11560 46506025 PA450698 DAP001062 Olopatadine CHEMBL1189432 135391 DB00768 Olopatadine BE0000112 HRH2 P25021 HRH2_HUMAN antagonist 16197656 "Rosenwasser LJ, O'Brien T, Weyne J: Mast cell stabilization and anti-histamine effects of olopatadine ophthalmic solution: a review of pre-clinical and clinical research. Curr Med Res Opin. 2005 Sep;21(9):1377-87. doi: 10.1185/030079905X56547." Approved Dibenzoxepines Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines "Anti-Allergic Agents; Sensory System Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Histamine H1 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; P-glycoprotein substrates; Dibenzoxepins; Nasal Preparations; Heterocyclic Compounds, Fused-Ring; Decreased Histamine Release; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Mast Cell Stabilizers; Antiallergic Agents, Excl. Corticosteroids; Central Nervous System Agents; Decongestants and Antiallergics; Ophthalmologicals; Antihistamine Drugs; Neurotransmitter Agents; Histamine Agents; Sensory Organs" CN(C)CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2 Olopatadine H1-Antihistamine Action drug_action 11560 46506025 PA450698 DAP001062 Olopatadine CHEMBL1189432 135391 DB00768 Olopatadine BE0001177 S100B P04271 S100B_HUMAN other/unknown 11944917 "Okada M, Tokumitsu H, Kubota Y, Kobayashi R: Interaction of S100 proteins with the antiallergic drugs, olopatadine, amlexanox, and cromolyn: identification of putative drug binding sites on S100A1 protein. Biochem Biophys Res Commun. 2002 Apr 12;292(4):1023-30." Approved Dibenzoxepines Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines "Anti-Allergic Agents; Sensory System Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Histamine H1 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; P-glycoprotein substrates; Dibenzoxepins; Nasal Preparations; Heterocyclic Compounds, Fused-Ring; Decreased Histamine Release; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Mast Cell Stabilizers; Antiallergic Agents, Excl. Corticosteroids; Central Nervous System Agents; Decongestants and Antiallergics; Ophthalmologicals; Antihistamine Drugs; Neurotransmitter Agents; Histamine Agents; Sensory Organs" CN(C)CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2 Olopatadine H1-Antihistamine Action drug_action 11560 46506025 PA450698 DAP001062 Olopatadine CHEMBL1189432 135391 DB00768 Olopatadine BE0000885 S100A13 Q99584 S10AD_HUMAN other/unknown 11944917 "Okada M, Tokumitsu H, Kubota Y, Kobayashi R: Interaction of S100 proteins with the antiallergic drugs, olopatadine, amlexanox, and cromolyn: identification of putative drug binding sites on S100A1 protein. Biochem Biophys Res Commun. 2002 Apr 12;292(4):1023-30." Approved Dibenzoxepines Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines "Anti-Allergic Agents; Sensory System Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Histamine H1 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; P-glycoprotein substrates; Dibenzoxepins; Nasal Preparations; Heterocyclic Compounds, Fused-Ring; Decreased Histamine Release; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Mast Cell Stabilizers; Antiallergic Agents, Excl. Corticosteroids; Central Nervous System Agents; Decongestants and Antiallergics; Ophthalmologicals; Antihistamine Drugs; Neurotransmitter Agents; Histamine Agents; Sensory Organs" CN(C)CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2 Olopatadine H1-Antihistamine Action drug_action 11560 46506025 PA450698 DAP001062 Olopatadine CHEMBL1189432 135391 DB00769 Hydrocortamate BE0000794 NR3C1 P04150 GCR_HUMAN agonist 14046902 CHADFIELD HW: CORTICOSTEROID THERAPY IN CURRENT DERMATOLOGICAL PRACTICE. Postgrad Med J. 1963 Sep;39:526-33. doi: 10.1136/pgmj.39.455.526. Approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers [H][C@@]12CC[C@](O)(C(=O)COC(=O)CN(CC)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 46509076 PA164745515 DAP001187 Hydrocortamate CHEMBL1201263 DB00770 Alprostadil BE0000368 PTGER2 P43116 PE2R2_HUMAN agonist 10509658; 15840408; 9313928 "Dijkstra BG, Schneemann A, Hoyng PF: Flow after prostaglandin E1 is mediated by receptor-coupled adenylyl cyclase in human anterior segments. Invest Ophthalmol Vis Sci. 1999 Oct;40(11):2622-6.@@Takahashi HK, Iwagaki H, Tamura R, Katsuno G, Xue D, Sugita S, Mori S, Yoshino T, Tanaka N, Nishibori M: Differential effect of prostaglandins E1 and E2 on lipopolysaccharide-induced adhesion molecule expression on human monocytes. Eur J Pharmacol. 2005 Apr 11;512(2-3):223-30.@@Kiriyama M, Ushikubi F, Kobayashi T, Hirata M, Sugimoto Y, Narumiya S: Ligand binding specificities of the eight types and subtypes of the mouse prostanoid receptors expressed in Chinese hamster ovary cells. Br J Pharmacol. 1997 Sep;122(2):217-24." Approved; Investigational "Inflammation Mediators; Fatty Acids, Monounsaturated; OAT3/SLC22A8 Substrates; OAT1/SLC22A6 inhibitors; Eicosanoids; Cardiovascular Agents; Prostaglandins E; Urological Agents; Venous Vasodilation; Fatty Acids; Genito Urinary System and Sex Hormones; Prostaglandin E1 Agonist; Biological Factors; Vasodilating Agents; Lipids; OATP2B1/SLCO2B1 substrates; OAT1/SLC22A6 Substrates; Prostaglandin Receptor Agonists; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Urologicals; Genitourinary Agents; Prostaglandins, Synthetic; Miscellaneous Vasodilatating Agents; Genitourinary Arterial Vasodilation; Cardiac Therapy; Prostaglandins; Autacoids; Hematologic Agents; Fatty Acids, Unsaturated; Drugs Used in Erectile Dysfunction" CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O 7335 46508029 D00180 PA448334 DAP001490 Prostaglandin_E1 CHEMBL495 598 DB00770 Alprostadil BE0002375 PTGER3 P43115 PE2R3_HUMAN agonist 9313928 "Kiriyama M, Ushikubi F, Kobayashi T, Hirata M, Sugimoto Y, Narumiya S: Ligand binding specificities of the eight types and subtypes of the mouse prostanoid receptors expressed in Chinese hamster ovary cells. Br J Pharmacol. 1997 Sep;122(2):217-24." Approved; Investigational "Inflammation Mediators; Fatty Acids, Monounsaturated; OAT3/SLC22A8 Substrates; OAT1/SLC22A6 inhibitors; Eicosanoids; Cardiovascular Agents; Prostaglandins E; Urological Agents; Venous Vasodilation; Fatty Acids; Genito Urinary System and Sex Hormones; Prostaglandin E1 Agonist; Biological Factors; Vasodilating Agents; Lipids; OATP2B1/SLCO2B1 substrates; OAT1/SLC22A6 Substrates; Prostaglandin Receptor Agonists; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Urologicals; Genitourinary Agents; Prostaglandins, Synthetic; Miscellaneous Vasodilatating Agents; Genitourinary Arterial Vasodilation; Cardiac Therapy; Prostaglandins; Autacoids; Hematologic Agents; Fatty Acids, Unsaturated; Drugs Used in Erectile Dysfunction" CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O 7335 46508029 D00180 PA448334 DAP001490 Prostaglandin_E1 CHEMBL495 598 DB00772 Malathion BE0002180 BCHE P06276 CHLE_HUMAN inhibitor 17139284; 17016423; 16782587; 17364237; 16716398; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Ramos ZR, Fortunato JJ, Agostinho FR, Martins MR, Correa M, Schetinger MR, Dal-Pizzol F, Quevedo J: Influence of malathion on acetylcholinesterase activity in rats submitted to a forced swimming test. Neurotox Res. 2006 Jun;9(4):285-90.@@Ahmed M, Rocha JB, Mazzanti CM, Morsch AL, Cargnelutti D, Correa M, Loro V, Morsch VM, Schetinger MR: Malathion, carbofuran and paraquat inhibit Bungarus sindanus (krait) venom acetylcholinesterase and human serum butyrylcholinesterase in vitro. Ecotoxicology. 2007 May;16(4):363-9. Epub 2007 Mar 16.@@da Silva AP, Meotti FC, Santos AR, Farina M: Lactational exposure to malathion inhibits brain acetylcholinesterase in mice. Neurotoxicology. 2006 Dec;27(6):1101-5. Epub 2006 Apr 28.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Fatty acid esters Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters "Organophosphates; QTc Prolonging Agents; Enzyme Inhibitors; Organophosphorus Compounds; Organothiophosphates; Pesticides; Cholinergic Agents; Insecticides; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Antiparasitic Products, Insecticides and Repellents; Potential QTc-Prolonging Agents; Ectoparasiticides, Incl. Scabicides; Organothiophosphorus Compounds; Compounds used in a research, industrial, or household setting; Cholinesterase Inhibitors; Neurotransmitter Agents; Agrochemicals; Sulfur Compounds; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Cytochrome P-450 CYP1A2 Substrates" CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC 46505287 D00534 PA164748092 DAP000895 Malathion CHEMBL1200468 6606 DB00773 Etoposide BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 16271071; 16309315; 16377807; 17361331; 17514873; 11752352 "de Lucio B, Manuel V, Barrera-Rodriguez R: Characterization of human NSCLC cell line with innate etoposide-resistance mediated by cytoplasmic localization of topoisomerase II alpha. Cancer Sci. 2005 Nov;96(11):774-83.@@Lopez-Lazaro M, Pastor N, Azrak SS, Ayuso MJ, Austin CA, Cortes F: Digitoxin inhibits the growth of cancer cell lines at concentrations commonly found in cardiac patients. J Nat Prod. 2005 Nov;68(11):1642-5.@@Moneypenny CG, Shao J, Song Y, Gallagher EP: MLL rearrangements are induced by low doses of etoposide in human fetal hematopoietic stem cells. Carcinogenesis. 2006 Apr;27(4):874-81. Epub 2005 Dec 24.@@Uesaka T, Shono T, Kuga D, Suzuki SO, Niiro H, Miyamoto K, Matsumoto K, Mizoguchi M, Ohta M, Iwaki T, Sasaki T: Enhanced expression of DNA topoisomerase II genes in human medulloblastoma and its possible association with etoposide sensitivity. J Neurooncol. 2007 Sep;84(2):119-29. Epub 2007 Mar 15.@@Winnicka K, Bielawski K, Bielawska A: Cardiac glycosides in cancer research and cancer therapy. Acta Pol Pharm. 2006 Mar-Apr;63(2):109-15.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Podophyllotoxins "Organic compounds; Lignans, neolignans and related compounds; Lignan lactones; Podophyllotoxins" "Myelosuppressive Agents; Glycosides; Enzyme Inhibitors; Carbohydrates; Topoisomerase Inhibitors; Cytochrome P-450 CYP3A Substrates; Podophyllotoxin Derivatives; Cytochrome P-450 Enzyme Inducers; Glucosides; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A4 Inducers; UGT1A1 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Podophyllotoxin; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Topoisomerase II Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A1 Substrates; Naphthalenes; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" [H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@H]2O[C@@H]1O[C@]2([H])CO[C@@H](C)O[C@@]2([H])[C@H](O)[C@H]1O Etoposide Action Pathway; Etoposide Metabolism Pathway drug_metabolism; drug_action 1998 46505434 D00125 PA449552 DAP000786 Etoposide CHEMBL44657 4179 DB00773 Etoposide BE0002425 TOP2B Q02880 TOP2B_HUMAN inhibitor 17578914 "Azarova AM, Lyu YL, Lin CP, Tsai YC, Lau JY, Wang JC, Liu LF: Roles of DNA topoisomerase II isozymes in chemotherapy and secondary malignancies. Proc Natl Acad Sci U S A. 2007 Jun 26;104(26):11014-9. Epub 2007 Jun 19." Approved Podophyllotoxins "Organic compounds; Lignans, neolignans and related compounds; Lignan lactones; Podophyllotoxins" "Myelosuppressive Agents; Glycosides; Enzyme Inhibitors; Carbohydrates; Topoisomerase Inhibitors; Cytochrome P-450 CYP3A Substrates; Podophyllotoxin Derivatives; Cytochrome P-450 Enzyme Inducers; Glucosides; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A4 Inducers; UGT1A1 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Podophyllotoxin; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Topoisomerase II Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A1 Substrates; Naphthalenes; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" [H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@H]2O[C@@H]1O[C@]2([H])CO[C@@H](C)O[C@@]2([H])[C@H](O)[C@H]1O Etoposide Action Pathway; Etoposide Metabolism Pathway drug_metabolism; drug_action 1998 46505434 D00125 PA449552 DAP000786 Etoposide CHEMBL44657 4179 DB00774 Hydroflumethiazide BE0000732 ATP1A1 P05023 AT1A1_HUMAN inducer 2832105 "Goldenberg K, Wergowske G, Chatterjee S, Kezdi P: Effects of thiazide on erythrocyte sodium and potassium concentrations and Na+K+ATPase in hypertensive patients. Clin Exp Hypertens A. 1988;10(1):91-103. doi: 10.3109/10641968809046801." Approved; Investigational; Withdrawn "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "OAT3/SLC22A8 Substrates; Antihypertensive Agents; Amides; OAT1/SLC22A6 inhibitors; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; OAT3/SLC22A8 Inhibitors; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides" NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F Hydroflumethiazide Action Pathway drug_action 46505220 D00654 PA164752557 DAP000747 Hydroflumethiazide CHEMBL1763 5495 DB00774 Hydroflumethiazide BE0000553 KCNMA1 Q12791 KCMA1_HUMAN inducer 29188803 "Martin P, Moncada M, Kuntamallappanavar G, Dopico AM, Milesi V: Activation of human smooth muscle BK channels by hydrochlorothiazide requires cell integrity and the presence of BK beta1 subunit. Acta Pharmacol Sin. 2018 Mar;39(3):371-381. doi: 10.1038/aps.2017.133. Epub 2017 Nov 30." Approved; Investigational; Withdrawn "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "OAT3/SLC22A8 Substrates; Antihypertensive Agents; Amides; OAT1/SLC22A6 inhibitors; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; OAT3/SLC22A8 Inhibitors; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides" NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F Hydroflumethiazide Action Pathway drug_action 46505220 D00654 PA164752557 DAP000747 Hydroflumethiazide CHEMBL1763 5495 DB00774 Hydroflumethiazide BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 2226620; 19119014 "Schaeffer P, Vigne P, Frelin C, Lazdunski M: Identification and pharmacological properties of binding sites for the atypical thiazide diuretic, indapamide. Eur J Pharmacol. 1990 Jul 17;182(3):503-8.@@Temperini C, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Comparison of chlorthalidone, indapamide, trichloromethiazide, and furosemide X-ray crystal structures in adducts with isozyme II, when several water molecules make the difference. Bioorg Med Chem. 2009 Feb 1;17(3):1214-21. doi: 10.1016/j.bmc.2008.12.023. Epub 2008 Dec 24." Approved; Investigational; Withdrawn "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "OAT3/SLC22A8 Substrates; Antihypertensive Agents; Amides; OAT1/SLC22A6 inhibitors; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; OAT3/SLC22A8 Inhibitors; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides" NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F Hydroflumethiazide Action Pathway drug_action 46505220 D00654 PA164752557 DAP000747 Hydroflumethiazide CHEMBL1763 5495 DB00777 Propiomazine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 14035428; 11752352; 19110200 "KRAKOWSKI AJ: Propiomazine for control of insomnia in nervous disorders. Am J Psychiatry. 1962 Nov;119:461-2.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kim DH, Maneen MJ, Stahl SM: Building a better antipsychotic: receptor targets for the treatment of multiple symptom dimensions of schizophrenia. Neurotherapeutics. 2009 Jan;6(1):78-85. doi: 10.1016/j.nurt.2008.10.020." Approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Agents that produce hypertension; Muscarinic Antagonists; Serotonin Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Sulfur Compounds" CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CC(C)N(C)C)C=C1 Propiomazine H1-Antihistamine Action drug_action 46506205 D02361 PA164778685 DAP000327 Propiomazine CHEMBL1201210 8770 DB00777 Propiomazine BE0004890 CHRM1 P08912 ACM5_HUMAN antagonist 19110200; 19042969; 12678691; 14488364 "Kim DH, Maneen MJ, Stahl SM: Building a better antipsychotic: receptor targets for the treatment of multiple symptom dimensions of schizophrenia. Neurotherapeutics. 2009 Jan;6(1):78-85. doi: 10.1016/j.nurt.2008.10.020.@@Page CB, Duffull SB, Whyte IM, Isbister GK: Promethazine overdose: clinical effects, predicting delirium and the effect of charcoal. QJM. 2009 Feb;102(2):123-31. doi: 10.1093/qjmed/hcn153. Epub 2008 Nov 28.@@Sharma A, Hamelin BA: Classic histamine H1 receptor antagonists: a critical review of their metabolic and pharmacokinetic fate from a bird's eye view. Curr Drug Metab. 2003 Apr;4(2):105-29. doi: 10.2174/1389200033489523.@@POWE CE, KIEM IM, FROMHAGEN C, CAVANAGH D: Propiomazine hydrochloride in obstetrical analgesia. A controlled study of 520 patients. JAMA. 1962 Jul 28;181:290-4. doi: 10.1001/jama.1962.03050300010002." Approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Agents that produce hypertension; Muscarinic Antagonists; Serotonin Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Sulfur Compounds" CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CC(C)N(C)C)C=C1 Propiomazine H1-Antihistamine Action drug_action 46506205 D02361 PA164778685 DAP000327 Propiomazine CHEMBL1201210 8770 DB00777 Propiomazine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 19110200; 12678691; 22507664 "Kim DH, Maneen MJ, Stahl SM: Building a better antipsychotic: receptor targets for the treatment of multiple symptom dimensions of schizophrenia. Neurotherapeutics. 2009 Jan;6(1):78-85. doi: 10.1016/j.nurt.2008.10.020.@@Sharma A, Hamelin BA: Classic histamine H1 receptor antagonists: a critical review of their metabolic and pharmacokinetic fate from a bird's eye view. Curr Drug Metab. 2003 Apr;4(2):105-29. doi: 10.2174/1389200033489523.@@Adolph O, Koster S, Georgieff M, Georgieff EM, Moulig W, Fohr KJ: Promethazine inhibits NMDA-induced currents - new pharmacological aspects of an old drug. Neuropharmacology. 2012 Aug;63(2):280-91. doi: 10.1016/j.neuropharm.2012.03.006. Epub 2012 Apr 7." Approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Agents that produce hypertension; Muscarinic Antagonists; Serotonin Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Sulfur Compounds" CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CC(C)N(C)C)C=C1 Propiomazine H1-Antihistamine Action drug_action 46506205 D02361 PA164778685 DAP000327 Propiomazine CHEMBL1201210 8770 DB00778 Roxithromycin BE0001032 ABCB1 P08183 MDR1_HUMAN 16595573; 17164692 "Beltinger J, Haschke M, Kaufmann P, Michot M, Terracciano L, Krahenbuhl S: Hepatic veno-occlusive disease associated with immunosuppressive cyclophosphamide dosing and roxithromycin. Ann Pharmacother. 2006 Apr;40(4):767-70. Epub 2006 Mar 7.@@Kaufmann P, Haschke M, Torok M, Beltinger J, Bogman K, Wenk M, Terracciano L, Krahenbuhl S: Mechanisms of venoocclusive disease resulting from the combination of cyclophosphamide and roxithromycin. Ther Drug Monit. 2006 Dec;28(6):766-74." Approved; Investigational; Withdrawn Aminoglycosides Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Erythromycin and similars; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Antiinfectives for Systemic Use; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; OATP1B3 inhibitors; Macrolides, Lincosamides and Streptogramins; Lactones; Polyketides; Antibacterials for Systemic Use; Cytochrome P-450 CYP3A4 Substrates; Anti-Infective Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents" CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O Roxithromycin Action Pathway drug_action 46507676 D01710 PA164750505 DAP000885 Roxithromycin CHEMBL1214185 9478 DB00780 Phenelzine BE0000667 GPT P24298 ALAT1_HUMAN inhibitor 19203467; 11775064; 1881457 "Todd KG, Baker GB: Neurochemical effects of the monoamine oxidase inhibitor phenelzine on brain GABA and alanine: A comparison with vigabatrin. J Pharm Pharm Sci. 2008 May 16;11(2):14s-21s.@@Tanay VA, Parent MB, Wong JT, Paslawski T, Martin IL, Baker GB: Effects of the antidepressant/antipanic drug phenelzine on alanine and alanine transaminase in rat brain. Cell Mol Neurobiol. 2001 Aug;21(4):325-39.@@McKenna KF, Baker GB, Coutts RT: N2-acetylphenelzine: effects on rat brain GABA, alanine and biogenic amines. Naunyn Schmiedebergs Arch Pharmacol. 1991 May;343(5):478-82." Approved Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Enzyme Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Hydrazines; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; Monoamine Oxidase Inhibitors, Non-Selective; Agents that reduce seizure threshold; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Serotonin Agents; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Monoamine Oxidase A Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System" NNCCC1=CC=CC=C1 11355 46507348 D08349 PA450903 DAP000578 Phenelzine CHEMBL1089 8123 DB00783 Estradiol BE0000123 ESR1 P03372 ESR1_HUMAN agonist 17125913; 2011412; 24971815; 23884115 "Brama M, Gnessi L, Basciani S, Cerulli N, Politi L, Spera G, Mariani S, Cherubini S, Scotto d'Abusco A, Scandurra R, Migliaccio S: Cadmium induces mitogenic signaling in breast cancer cell by an ERalpha-dependent mechanism. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):102-8. Epub 2006 Nov 27.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Paterni I, Granchi C, Katzenellenbogen JA, Minutolo F: Estrogen receptors alpha (ERalpha) and beta (ERbeta): subtype-selective ligands and clinical potential. Steroids. 2014 Nov;90:13-29. doi: 10.1016/j.steroids.2014.06.012. Epub 2014 Jun 24.@@Banerjee M, Robbins D, Chen T: Modulation of xenobiotic receptors by steroids. Molecules. 2013 Jun 24;18(7):7389-406. doi: 10.3390/molecules18077389." Approved; Investigational; Vet_approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Anti-Gonadotropin-Releasing Hormones; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Intravaginal Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Estranes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Androgens and Estrogens; Adrenal Cortex Hormones; Gonadal Hormones; COMT Substrates; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Estrogens, agonists; Contraceptives, Oral; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; Hypothalamic Hormones; UGT1A1 Substrates; Antiandrogens and Estrogens; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone Metabolism; Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency disease; metabolic 7411 46508115 D00105 PA449503 DAP000854 Estradiol_(medication) CHEMBL135 4083 DB00783 Estradiol BE0000792 ESR2 Q92731 ESR2_HUMAN agonist 17464340; 2011412; 24971815; 23882126 "Vijayanathan V, Greenfield NJ, Thomas TJ, Ivanova MM, Tyulmenkov VV, Klinge CM, Gallo MA, Thomas T: Effects of estradiol and 4-hydroxytamoxifen on the conformation, thermal stability, and DNA recognition of estrogen receptor beta. Biochem Cell Biol. 2007 Feb;85(1):1-10.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Paterni I, Granchi C, Katzenellenbogen JA, Minutolo F: Estrogen receptors alpha (ERalpha) and beta (ERbeta): subtype-selective ligands and clinical potential. Steroids. 2014 Nov;90:13-29. doi: 10.1016/j.steroids.2014.06.012. Epub 2014 Jun 24.@@Jiang Y, Gong P, Madak-Erdogan Z, Martin T, Jeyakumar M, Carlson K, Khan I, Smillie TJ, Chittiboyina AG, Rotte SC, Helferich WG, Katzenellenbogen JA, Katzenellenbogen BS: Mechanisms enforcing the estrogen receptor beta selectivity of botanical estrogens. FASEB J. 2013 Nov;27(11):4406-18. doi: 10.1096/fj.13-234617. Epub 2013 Jul 23." Approved; Investigational; Vet_approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Anti-Gonadotropin-Releasing Hormones; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Intravaginal Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Estranes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Androgens and Estrogens; Adrenal Cortex Hormones; Gonadal Hormones; COMT Substrates; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Estrogens, agonists; Contraceptives, Oral; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; Hypothalamic Hormones; UGT1A1 Substrates; Antiandrogens and Estrogens; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone Metabolism; Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency disease; metabolic 7411 46508115 D00105 PA449503 DAP000854 Estradiol_(medication) CHEMBL135 4083 DB00783 Estradiol BE0000849 CHRNA4 P43681 ACHA4_HUMAN binder 11517245; 21451042 "Paradiso K, Zhang J, Steinbach JH: The C terminus of the human nicotinic alpha4beta2 receptor forms a binding site required for potentiation by an estrogenic steroid. J Neurosci. 2001 Sep 1;21(17):6561-8.@@Jin X, Steinbach JH: A portable site: a binding element for 17beta-estradiol can be placed on any subunit of a nicotinic alpha4beta2 receptor. J Neurosci. 2011 Mar 30;31(13):5045-54. doi: 10.1523/JNEUROSCI.4802-10.2011." Approved; Investigational; Vet_approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Anti-Gonadotropin-Releasing Hormones; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Intravaginal Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Estranes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Androgens and Estrogens; Adrenal Cortex Hormones; Gonadal Hormones; COMT Substrates; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Estrogens, agonists; Contraceptives, Oral; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; Hypothalamic Hormones; UGT1A1 Substrates; Antiandrogens and Estrogens; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone Metabolism; Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency disease; metabolic 7411 46508115 D00105 PA449503 DAP000854 Estradiol_(medication) CHEMBL135 4083 DB00783 Estradiol BE0003446 GPER1 Q99527 GPER1_HUMAN binder 17088055; 17222505 "Thomas P, Dong J: Binding and activation of the seven-transmembrane estrogen receptor GPR30 by environmental estrogens: a potential novel mechanism of endocrine disruption. J Steroid Biochem Mol Biol. 2006 Dec;102(1-5):175-9. Epub 2006 Nov 7.@@Prossnitz ER, Arterburn JB, Sklar LA: GPR30: A G protein-coupled receptor for estrogen. Mol Cell Endocrinol. 2007 Feb;265-266:138-42. doi: 10.1016/j.mce.2006.12.010. Epub 2007 Jan 11." Approved; Investigational; Vet_approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Anti-Gonadotropin-Releasing Hormones; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Intravaginal Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Estranes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Androgens and Estrogens; Adrenal Cortex Hormones; Gonadal Hormones; COMT Substrates; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Estrogens, agonists; Contraceptives, Oral; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; Hypothalamic Hormones; UGT1A1 Substrates; Antiandrogens and Estrogens; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone Metabolism; Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency disease; metabolic 7411 46508115 D00105 PA449503 DAP000854 Estradiol_(medication) CHEMBL135 4083 DB00783 Estradiol BE0009015 BECN1 Q14457 BECN1_HUMAN binder 21034808; 23274738 "Van Dorst B, Mehta J, Rouah-Martin E, De Coen W, Blust R, Robbens J: The identification of cellular targets of 17beta estradiol using a lytic (T7) cDNA phage display approach. Toxicol In Vitro. 2011 Feb;25(1):388-93. doi: 10.1016/j.tiv.2010.10.012. Epub 2010 Oct 27.@@Moreno AJ, Moreira PI, Custodio JB, Santos MS: Mechanism of inhibition of mitochondrial ATP synthase by 17beta-estradiol. J Bioenerg Biomembr. 2013 Jun;45(3):261-70. doi: 10.1007/s10863-012-9497-1. Epub 2012 Dec 29." Approved; Investigational; Vet_approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Anti-Gonadotropin-Releasing Hormones; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Intravaginal Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Estranes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Androgens and Estrogens; Adrenal Cortex Hormones; Gonadal Hormones; COMT Substrates; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Estrogens, agonists; Contraceptives, Oral; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; Hypothalamic Hormones; UGT1A1 Substrates; Antiandrogens and Estrogens; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone Metabolism; Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency disease; metabolic 7411 46508115 D00105 PA449503 DAP000854 Estradiol_(medication) CHEMBL135 4083 DB00785 Cryptenamine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 17139284; 17016423; 5674398; 5918523 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Jandhyala ML, Buckley JP: Mechanisms of action of cryptenamine. J Pharm Sci. 1968 Sep;57(9):1576-82.@@Jandhyala BS, Buckley JP: Pharmacology and mechanism of action of cryptenamine. J Pharm Sci. 1966 Sep;55(9):888-93." Approved "Cardiovascular Agents; Cevanes; Heterocyclic Compounds, Fused-Ring; Antihypertensive Agents; Alkaloids; Veratrum Alkaloids" 46507822 PA164749510 DAP000479 Cryptenamine 42618 DB00785 Cryptenamine BE0004872 ADRB1 P13945 ADRB3_HUMAN inhibitor 5674398 "Jandhyala ML, Buckley JP: Mechanisms of action of cryptenamine. J Pharm Sci. 1968 Sep;57(9):1576-82." Approved "Cardiovascular Agents; Cevanes; Heterocyclic Compounds, Fused-Ring; Antihypertensive Agents; Alkaloids; Veratrum Alkaloids" 46507822 PA164749510 DAP000479 Cryptenamine 42618 DB00786 Marimastat BE0000642 MMP2 P08253 MMP2_HUMAN inhibitor 11752352; 10460642; 15056115; 11790786; 12527923; 15748894 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Treharne GD, Boyle JR, Goodall S, Loftus IM, Bell PR, Thompson MM: Marimastat inhibits elastin degradation and matrix metalloproteinase 2 activity in a model of aneurysm disease. Br J Surg. 1999 Aug;86(8):1053-8.@@Fanchon S, Bourd K, Septier D, Everts V, Beertsen W, Menashi S, Goldberg M: Involvement of matrix metalloproteinases in the onset of dentin mineralization. Eur J Oral Sci. 2004 Apr;112(2):171-6.@@Bernardo MM, Brown S, Li ZH, Fridman R, Mobashery S: Design, synthesis, and characterization of potent, slow-binding inhibitors that are selective for gelatinases. J Biol Chem. 2002 Mar 29;277(13):11201-7. Epub 2002 Jan 14.@@Shinoda K, Shibuya M, Hibino S, Ono Y, Matsuda K, Takemura A, Zou D, Kokubo Y, Takechi A, Kudoh S: A novel matrix metalloproteinase inhibitor, FYK-1388 suppresses tumor growth, metastasis and angiogenesis by human fibrosarcoma cell line. Int J Oncol. 2003 Feb;22(2):281-8.@@Bourd-Boittin K, Fridman R, Fanchon S, Septier D, Goldberg M, Menashi S: Matrix metalloproteinase inhibition impairs the processing, formation and mineralization of dental tissues during mouse molar development. Exp Cell Res. 2005 Apr 1;304(2):493-505. Epub 2005 Jan 11." Investigational Secondary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors" CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C 46505547 PA164748329 DCL000005 Marimastat CHEMBL279785 DB00786 Marimastat BE0003690 MMP7 P09237 MMP7_HUMAN antagonist 10852638; 10669951 "Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8." Investigational Secondary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors" CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C 46505547 PA164748329 DCL000005 Marimastat CHEMBL279785 DB00786 Marimastat BE0001182 MMP8 P22894 MMP8_HUMAN inhibitor 10852638; 10669951 "Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8." Investigational Secondary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors" CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C 46505547 PA164748329 DCL000005 Marimastat CHEMBL279785 DB00786 Marimastat BE0003692 MMP14 P50281 MMP14_HUMAN inhibitor 10852638; 10669951 "Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8." Investigational Secondary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors" CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C 46505547 PA164748329 DCL000005 Marimastat CHEMBL279785 DB00786 Marimastat BE0001637 MMP16 P51512 MMP16_HUMAN inhibitor 10852638; 10669951 "Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8." Investigational Secondary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors" CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C 46505547 PA164748329 DCL000005 Marimastat CHEMBL279785 DB00786 Marimastat BE0003694 MMP17 Q9ULZ9 MMP17_HUMAN inhibitor 10852638; 10669951 "Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8." Investigational Secondary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors" CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C 46505547 PA164748329 DCL000005 Marimastat CHEMBL279785 DB00786 Marimastat BE0003696 MMP20 O60882 MMP20_HUMAN inhibitor 10852638; 10669951 "Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8." Investigational Secondary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors" CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C 46505547 PA164748329 DCL000005 Marimastat CHEMBL279785 DB00786 Marimastat BE0003699 MMP24 Q9Y5R2 MMP24_HUMAN inhibitor 10852638; 10669951 "Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8." Investigational Secondary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors" CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C 46505547 PA164748329 DCL000005 Marimastat CHEMBL279785 DB00786 Marimastat BE0009742 MMP25 Q9NPA2 MMP25_HUMAN inhibitor 10852638; 10669951 "Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8." Investigational Secondary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors" CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C 46505547 PA164748329 DCL000005 Marimastat CHEMBL279785 DB00786 Marimastat BE0003701 MMP26 Q9NRE1 MMP26_HUMAN inhibitor 10852638; 10669951 "Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8." Investigational Secondary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors" CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C 46505547 PA164748329 DCL000005 Marimastat CHEMBL279785 DB00790 Perindopril BE0009094 SFRP4 Q6FHJ7 SFRP4_HUMAN inhibitor 25019556 "Bukhari SA, Shamshari WA, Ur-Rahman M, Zia-Ul-Haq M, Jaafar HZ: Computer aided screening of secreted frizzled-related protein 4 (SFRP4): a potential control for diabetes mellitus. Molecules. 2014 Jul 11;19(7):10129-36. doi: 10.3390/molecules190710129." Approved Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Amines; Enzyme Inhibitors; Agents causing angioedema; Antihypertensive Agents; Lipid Modifying Agents; Indoles; Hydrocarbons, Acyclic; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Agents causing hyperkalemia; Angiotensin-Converting Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Alkanes; Heterocyclic Compounds, Fused-Ring; Cholinesterase Inhibitors; Butanes" [H][C@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O Perindopril Action Pathway drug_action 16100 46508767 D03753 PA450877 DNC001114 Perindopril CHEMBL1581 54552 DB00792 Tripelennamine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11752352; 6759742; 996853; 3253717; 10208755; 9226736 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Shimizu K, Nakajyo S, Urakawa N: [Drug sensitivity of the isolated stomach and ileal preparation from a vole]. Nihon Heikatsukin Gakkai Zasshi. 1982 May;18(2):93-103.@@Chiba S: Blocking effect of tripelennamine on histamine--induced positive chronotropic and inotropic responses of the dog atrium. Tohoku J Exp Med. 1976 Nov;120(3):299-300.@@Sansone M: Antihistaminic-opioid combination: effect on locomotor activity in mice. Pol J Pharmacol Pharm. 1988 Sep-Oct;40(5):515-23.@@Ohta Y, Kobayashi T, Ishiguro I: Role of endogenous serotonin and histamine in the pathogenesis of gastric mucosal lesions in unanaesthetised rats with a single treatment of compound 48/80, a mast cell degranulator. Pharmacol Res. 1999 Apr;39(4):261-7.@@Suzuki T, Mori T, Tsuji M, Misawa M, Onodera K: Interactions between H1-antagonists and opioids: a drug discrimination study. Psychopharmacology (Berl). 1997 Jun;131(4):346-53." Approved; Vet_approved 2-benzylaminopyridines Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylamines "Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Amines; Histamine H1 Antagonists; Ethylenediamine Derivatives; Dermatologicals; Pyridines; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Substituted Ethylene Diamines; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Polyamines; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Diamines; Aminopyridines; Neurotransmitter Agents; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Ethylenediamines" CN(C)CCN(CC1=CC=CC=C1)C1=CC=CC=N1 Tripelennamine H1-Antihistamine Action drug_action 20364 46506125 PA164764429 DAP000328 Tripelennamine CHEMBL1241 10847 DB00794 Primidone BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 11264449; 10209232 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217." Approved; Vet_approved Hydropyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives UGT1A1 Inducers; Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP1A2 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Enzyme Inducing Antiepileptic Drugs; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); GABA Modulators; Barbiturates; Pyrimidinones; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants CCC1(C(=O)NCNC1=O)C1=CC=CC=C1 8265 46507775 D00474 PA451105 DAP000678 Primidone CHEMBL856 8691 DB00794 Primidone BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 14579514; 10209232; 11264449; 10487207; 11752352; 17139284; 17016423 "Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Vet_approved Hydropyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives UGT1A1 Inducers; Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP1A2 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Enzyme Inducing Antiepileptic Drugs; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); GABA Modulators; Barbiturates; Pyrimidinones; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants CCC1(C(=O)NCNC1=O)C1=CC=CC=C1 8265 46507775 D00474 PA451105 DAP000678 Primidone CHEMBL856 8691 DB00794 Primidone BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 11264449; 16248797; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Vet_approved Hydropyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives UGT1A1 Inducers; Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP1A2 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Enzyme Inducing Antiepileptic Drugs; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); GABA Modulators; Barbiturates; Pyrimidinones; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants CCC1(C(=O)NCNC1=O)C1=CC=CC=C1 8265 46507775 D00474 PA451105 DAP000678 Primidone CHEMBL856 8691 DB00794 Primidone BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Vet_approved Hydropyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives UGT1A1 Inducers; Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP1A2 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Enzyme Inducing Antiepileptic Drugs; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); GABA Modulators; Barbiturates; Pyrimidinones; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants CCC1(C(=O)NCNC1=O)C1=CC=CC=C1 8265 46507775 D00474 PA451105 DAP000678 Primidone CHEMBL856 8691 DB00794 Primidone BE0000826 GRIK2 Q13002 GRIK2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Vet_approved Hydropyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives UGT1A1 Inducers; Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP1A2 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Enzyme Inducing Antiepileptic Drugs; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); GABA Modulators; Barbiturates; Pyrimidinones; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants CCC1(C(=O)NCNC1=O)C1=CC=CC=C1 8265 46507775 D00474 PA451105 DAP000678 Primidone CHEMBL856 8691 DB00795 Sulfasalazine BE0003997 PLA2G1B P04054 PA21B_HUMAN antagonist 9256165 "Pruzanski W, Stefanski E, Vadas P, Ramamurthy NS: Inhibition of extracellular release of proinflammatory secretory phospholipase A2 (sPLA2) by sulfasalazine: a novel mechanism of anti-inflammatory activity. Biochem Pharmacol. 1997 Jun 15;53(12):1901-7." Approved Azobenzenes Organic compounds; Organoheterocyclic compounds; Azobenzenes "Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Amides; Gastrointestinal Agents; Anti-Inflammatory Agents, Non-Steroidal; BCRP/ABCG2 Inhibitors; Sulfones; Agents causing hyperkalemia; Salicylates; Sulfonamides; Alimentary Tract and Metabolism; BCRP/ABCG2 Substrates; Aminosalicylate; OATP1B3 inhibitors; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; NTCP Inhibitors; Agents that produce hypertension; Methemoglobinemia Associated Agents; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Sulfur Compounds; Antirheumatic Agents" OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1 8138 46505451 D00448 PA451547 DAP000153 Sulfasalazine CHEMBL421 9524 DB00795 Sulfasalazine BE0000030 SLC7A11 Q9UPY5 XCT_HUMAN inhibitor 11587223 "Gout PW, Buckley AR, Simms CR, Bruchovsky N: Sulfasalazine, a potent suppressor of lymphoma growth by inhibition of the x(c)- cystine transporter: a new action for an old drug. Leukemia. 2001 Oct;15(10):1633-40." Approved Azobenzenes Organic compounds; Organoheterocyclic compounds; Azobenzenes "Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Amides; Gastrointestinal Agents; Anti-Inflammatory Agents, Non-Steroidal; BCRP/ABCG2 Inhibitors; Sulfones; Agents causing hyperkalemia; Salicylates; Sulfonamides; Alimentary Tract and Metabolism; BCRP/ABCG2 Substrates; Aminosalicylate; OATP1B3 inhibitors; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; NTCP Inhibitors; Agents that produce hypertension; Methemoglobinemia Associated Agents; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Sulfur Compounds; Antirheumatic Agents" OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1 8138 46505451 D00448 PA451547 DAP000153 Sulfasalazine CHEMBL421 9524 DB00795 Sulfasalazine BE0001086 NFKB1 P19838 NFKB1_HUMAN inhibitor 9486988 "Wahl C, Liptay S, Adler G, Schmid RM: Sulfasalazine: a potent and specific inhibitor of nuclear factor kappa B. J Clin Invest. 1998 Mar 1;101(5):1163-74. doi: 10.1172/JCI992." Approved Azobenzenes Organic compounds; Organoheterocyclic compounds; Azobenzenes "Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Amides; Gastrointestinal Agents; Anti-Inflammatory Agents, Non-Steroidal; BCRP/ABCG2 Inhibitors; Sulfones; Agents causing hyperkalemia; Salicylates; Sulfonamides; Alimentary Tract and Metabolism; BCRP/ABCG2 Substrates; Aminosalicylate; OATP1B3 inhibitors; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; NTCP Inhibitors; Agents that produce hypertension; Methemoglobinemia Associated Agents; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Sulfur Compounds; Antirheumatic Agents" OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1 8138 46505451 D00448 PA451547 DAP000153 Sulfasalazine CHEMBL421 9524 DB00795 Sulfasalazine BE0001154 IKBKB O14920 IKKB_HUMAN inhibitor 11054378; 9486988; 12950415; 11151876 "Weber CK, Liptay S, Wirth T, Adler G, Schmid RM: Suppression of NF-kappaB activity by sulfasalazine is mediated by direct inhibition of IkappaB kinases alpha and beta. Gastroenterology. 2000 Nov;119(5):1209-18.@@Wahl C, Liptay S, Adler G, Schmid RM: Sulfasalazine: a potent and specific inhibitor of nuclear factor kappa B. J Clin Invest. 1998 Mar 1;101(5):1163-74. doi: 10.1172/JCI992.@@Allgayer H: Review article: mechanisms of action of mesalazine in preventing colorectal carcinoma in inflammatory bowel disease. Aliment Pharmacol Ther. 2003 Sep;18 Suppl 2:10-4.@@Bantel H, Berg C, Vieth M, Stolte M, Kruis W, Schulze-Osthoff K: Mesalazine inhibits activation of transcription factor NF-kappaB in inflamed mucosa of patients with ulcerative colitis. Am J Gastroenterol. 2000 Dec;95(12):3452-7." Approved Azobenzenes Organic compounds; Organoheterocyclic compounds; Azobenzenes "Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Amides; Gastrointestinal Agents; Anti-Inflammatory Agents, Non-Steroidal; BCRP/ABCG2 Inhibitors; Sulfones; Agents causing hyperkalemia; Salicylates; Sulfonamides; Alimentary Tract and Metabolism; BCRP/ABCG2 Substrates; Aminosalicylate; OATP1B3 inhibitors; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; NTCP Inhibitors; Agents that produce hypertension; Methemoglobinemia Associated Agents; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Sulfur Compounds; Antirheumatic Agents" OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1 8138 46505451 D00448 PA451547 DAP000153 Sulfasalazine CHEMBL421 9524 DB00795 Sulfasalazine BE0004655 CHUK O15111 IKKA_HUMAN 9486988; 11054378; 11151876; 12950415 "Wahl C, Liptay S, Adler G, Schmid RM: Sulfasalazine: a potent and specific inhibitor of nuclear factor kappa B. J Clin Invest. 1998 Mar 1;101(5):1163-74. doi: 10.1172/JCI992.@@Weber CK, Liptay S, Wirth T, Adler G, Schmid RM: Suppression of NF-kappaB activity by sulfasalazine is mediated by direct inhibition of IkappaB kinases alpha and beta. Gastroenterology. 2000 Nov;119(5):1209-18.@@Bantel H, Berg C, Vieth M, Stolte M, Kruis W, Schulze-Osthoff K: Mesalazine inhibits activation of transcription factor NF-kappaB in inflamed mucosa of patients with ulcerative colitis. Am J Gastroenterol. 2000 Dec;95(12):3452-7.@@Allgayer H: Review article: mechanisms of action of mesalazine in preventing colorectal carcinoma in inflammatory bowel disease. Aliment Pharmacol Ther. 2003 Sep;18 Suppl 2:10-4." Approved Azobenzenes Organic compounds; Organoheterocyclic compounds; Azobenzenes "Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Amides; Gastrointestinal Agents; Anti-Inflammatory Agents, Non-Steroidal; BCRP/ABCG2 Inhibitors; Sulfones; Agents causing hyperkalemia; Salicylates; Sulfonamides; Alimentary Tract and Metabolism; BCRP/ABCG2 Substrates; Aminosalicylate; OATP1B3 inhibitors; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; NTCP Inhibitors; Agents that produce hypertension; Methemoglobinemia Associated Agents; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Sulfur Compounds; Antirheumatic Agents" OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1 8138 46505451 D00448 PA451547 DAP000153 Sulfasalazine CHEMBL421 9524 DB00795 Sulfasalazine BE0000215 PPARG P37231 PPARG_HUMAN agonist 15824083; 33468700; 18544567; 18077625; 16939423 "Rousseaux C, Lefebvre B, Dubuquoy L, Lefebvre P, Romano O, Auwerx J, Metzger D, Wahli W, Desvergne B, Naccari GC, Chavatte P, Farce A, Bulois P, Cortot A, Colombel JF, Desreumaux P: Intestinal antiinflammatory effect of 5-aminosalicylic acid is dependent on peroxisome proliferator-activated receptor-gamma. J Exp Med. 2005 Apr 18;201(8):1205-15. Epub 2005 Apr 11.@@Cevallos SA, Lee JY, Velazquez EM, Foegeding NJ, Shelton CD, Tiffany CR, Parry BH, Stull-Lane AR, Olsan EE, Savage HP, Nguyen H, Ghanaat SS, Byndloss AJ, Agu IO, Tsolis RM, Byndloss MX, Baumler AJ: 5-Aminosalicylic Acid Ameliorates Colitis and Checks Dysbiotic Escherichia coli Expansion by Activating PPAR-gamma Signaling in the Intestinal Epithelium. mBio. 2021 Jan 19;12(1):e03227-20. doi: 10.1128/mBio.03227-20.@@Schwab M, Reynders V, Loitsch S, Shastri YM, Steinhilber D, Schroder O, Stein J: PPARgamma is involved in mesalazine-mediated induction of apoptosis and inhibition of cell growth in colon cancer cells. Carcinogenesis. 2008 Jul;29(7):1407-14. doi: 10.1093/carcin/bgn118. Epub 2008 Jun 9.@@Linard C, Gremy O, Benderitter M: Reduction of peroxisome proliferation-activated receptor gamma expression by gamma-irradiation as a mechanism contributing to inflammatory response in rat colon: modulation by the 5-aminosalicylic acid agonist. J Pharmacol Exp Ther. 2008 Mar;324(3):911-20. Epub 2007 Dec 12.@@Desreumaux P, Ghosh S: Review article: mode of action and delivery of 5-aminosalicylic acid - new evidence. Aliment Pharmacol Ther. 2006 Sep;24 Suppl 1:2-9." Approved Azobenzenes Organic compounds; Organoheterocyclic compounds; Azobenzenes "Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Amides; Gastrointestinal Agents; Anti-Inflammatory Agents, Non-Steroidal; BCRP/ABCG2 Inhibitors; Sulfones; Agents causing hyperkalemia; Salicylates; Sulfonamides; Alimentary Tract and Metabolism; BCRP/ABCG2 Substrates; Aminosalicylate; OATP1B3 inhibitors; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; NTCP Inhibitors; Agents that produce hypertension; Methemoglobinemia Associated Agents; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Sulfur Compounds; Antirheumatic Agents" OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1 8138 46505451 D00448 PA451547 DAP000153 Sulfasalazine CHEMBL421 9524 DB00797 Tolazoline BE0000442 HRH1 P35367 HRH1_HUMAN agonist 8487790 "Roll C, Hanssler L: [Interaction of tolazoline and cimetidine in persistent fetal circulation of the newborn infant]. Monatsschr Kinderheilkd. 1993 Apr;141(4):297-9." Approved; Vet_approved Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives Hypotensive Agents; Peripheral Vasodilators; Cardiovascular Agents; Imidazoline Derivatives; Musculo-Skeletal System; Adrenergic Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Imidazoles; Neurotransmitter Agents; Topical Products for Joint and Muscular Pain; Vasodilating Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents; Imidazolines C(C1=NCCN1)C1=CC=CC=C1 6010 46505641 PA451716 DAP000477 Tolazoline CHEMBL770 10634 DB00797 Tolazoline BE0000112 HRH2 P25021 HRH2_HUMAN agonist 6386273; 21948594; 8487790 "Ward RM: Pharmacology of tolazoline. Clin Perinatol. 1984 Oct;11(3):703-13.@@Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP: ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1100-7. doi: 10.1093/nar/gkr777. Epub 2011 Sep 23.@@Roll C, Hanssler L: [Interaction of tolazoline and cimetidine in persistent fetal circulation of the newborn infant]. Monatsschr Kinderheilkd. 1993 Apr;141(4):297-9." Approved; Vet_approved Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives Hypotensive Agents; Peripheral Vasodilators; Cardiovascular Agents; Imidazoline Derivatives; Musculo-Skeletal System; Adrenergic Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Imidazoles; Neurotransmitter Agents; Topical Products for Joint and Muscular Pain; Vasodilating Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents; Imidazolines C(C1=NCCN1)C1=CC=CC=C1 6010 46505641 PA451716 DAP000477 Tolazoline CHEMBL770 10634 DB00798 Gentamicin BE0000330 DHFR P00374 DYR_HUMAN 20350811 "Al-Omary FA, Abou-Zeid LA, Nagi MN, Habib el-SE, Abdel-Aziz AA, El-Azab AS, Abdel-Hamide SG, Al-Omar MA, Al-Obaid AM, El-Subbagh HI: Non-classical antifolates. Part 2: synthesis, biological evaluation, and molecular modeling study of some new 2,6-substituted-quinazolin-4-ones. Bioorg Med Chem. 2010 Apr 15;18(8):2849-63. doi: 10.1016/j.bmc.2010.03.019. Epub 2010 Mar 12." Approved; Vet_approved "alpha-Galactosidase, antagonists & inhibitors; Agents that produce neuromuscular block (indirect); Glycosides; Enzyme Inhibitors; Carbohydrates; Anti-Bacterial Agents; Nephrotoxic agents; Dermatologicals; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; OCT2 Substrates; Protein Synthesis Inhibitors; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Otologicals; Ophthalmological and Otological Preparations; OCT2 Substrates with a Narrow Therapeutic Index; Antibacterials for Systemic Use; Gentamicins; Anti-Infective Agents; Ophthalmologicals; Antibiotics for Topical Use; Narrow Therapeutic Index Drugs; Aminoglycoside Antibacterials; Sensory Organs" [H][C@@]1(CN)CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)N.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)NC Gentamicin Action Pathway drug_action 8630 46506523 PA449753 DAP000116 Gentamicin CHEMBL3039597 1596450 DB00799 Tazarotene BE0000663 RARA P10276 RARA_HUMAN agonist 16144296; 9035701; 15383624; 14675762; 11519864; 10828316 "Baumann L, Vujevich J, Halem M, Martin LK, Kerdel F, Lazarus M, Pacheco H, Black L, Bryde J: Open-label pilot study of alitretinoin gel 0.1% in the treatment of photoaging. Cutis. 2005 Jul;76(1):69-73.@@Chandraratna RA: Tazarotene--first of a new generation of receptor-selective retinoids. Br J Dermatol. 1996 Oct;135 Suppl 49:18-25.@@Yen A, Fenning R, Chandraratna R, Walker P, Varvayanis S: A retinoic acid receptor beta/gamma-selective prodrug (tazarotene) plus a retinoid X receptor ligand induces extracellular signal-regulated kinase activation, retinoblastoma hypophosphorylation, G0 arrest, and cell differentiation. Mol Pharmacol. 2004 Dec;66(6):1727-37. Epub 2004 Sep 21.@@Meder W, Wendland M, Busmann A, Kutzleb C, Spodsberg N, John H, Richter R, Schleuder D, Meyer M, Forssmann WG: Characterization of human circulating TIG2 as a ligand for the orphan receptor ChemR23. FEBS Lett. 2003 Dec 18;555(3):495-9.@@Wang Q, Lee D, Sysounthone V, Chandraratna RAS, Christakos S, Korah R, Wieder R: 1,25-dihydroxyvitamin D3 and retonic acid analogues induce differentiation in breast cancer cells with function- and cell-specific additive effects. Breast Cancer Res Treat. 2001 May;67(2):157-68.@@Nagpal S, Chandraratna RA: Recent developments in receptor-selective retinoids. Curr Pharm Des. 2000 Jun;6(9):919-31." Approved; Investigational Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids Antipsoriatics for Topical Use; Cytochrome P-450 Substrates; Prodrugs; Noxae; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Antipsoriatics; Keratolytic Agents; Teratogens; Toxic Actions; Retinoids; Pyridines; Cytochrome P-450 CYP2C8 Substrates CCOC(=O)C1=CN=C(C=C1)C#CC1=CC2=C(SCCC2(C)C)C=C1 11373 46508992 D01132 PA164746821 DAP000462 Tazarotene CHEMBL1657 83947 DB00799 Tazarotene BE0000144 RARG P13631 RARG_HUMAN agonist 17139284; 17016423; 10592235; 18034539; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Arechalde A, Saurat JH: Management of psoriasis: the position of retinoid drugs. BioDrugs. 2000 May;13(5):327-33.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids Antipsoriatics for Topical Use; Cytochrome P-450 Substrates; Prodrugs; Noxae; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Antipsoriatics; Keratolytic Agents; Teratogens; Toxic Actions; Retinoids; Pyridines; Cytochrome P-450 CYP2C8 Substrates CCOC(=O)C1=CN=C(C=C1)C#CC1=CC2=C(SCCC2(C)C)C=C1 11373 46508992 D01132 PA164746821 DAP000462 Tazarotene CHEMBL1657 83947 DB00799 Tazarotene BE0000206 RARB P10826 RARB_HUMAN agonist 12942109; 15102095; 9035701; 18034539 "Jones PH, Burnett RD, Fainaru I, Nadolny P, Walker P, Yu Z, Tang-Liu D, Ganesan TS, Talbot DC, Harris AL, Rustin GJ: A phase 1 study of tazarotene in adults with advanced cancer. Br J Cancer. 2003 Sep 1;89(5):808-15.@@Orlandi A, Bianchi L, Costanzo A, Campione E, Giusto Spagnoli L, Chimenti S: Evidence of increased apoptosis and reduced proliferation in basal cell carcinomas treated with tazarotene. J Invest Dermatol. 2004 Apr;122(4):1037-41.@@Chandraratna RA: Tazarotene--first of a new generation of receptor-selective retinoids. Br J Dermatol. 1996 Oct;135 Suppl 49:18-25.@@Arechalde A, Saurat JH: Management of psoriasis: the position of retinoid drugs. BioDrugs. 2000 May;13(5):327-33." Approved; Investigational Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids Antipsoriatics for Topical Use; Cytochrome P-450 Substrates; Prodrugs; Noxae; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Antipsoriatics; Keratolytic Agents; Teratogens; Toxic Actions; Retinoids; Pyridines; Cytochrome P-450 CYP2C8 Substrates CCOC(=O)C1=CN=C(C=C1)C#CC1=CC2=C(SCCC2(C)C)C=C1 11373 46508992 D01132 PA164746821 DAP000462 Tazarotene CHEMBL1657 83947 DB00800 Fenoldopam BE0000715 ADRA1D P25100 ADA1D_HUMAN inhibitor 7670737 "Martin SW, Broadley KJ: Renal vasodilatation by dopexamine and fenoldopam due to alpha 1-adrenoceptor blockade. Br J Pharmacol. 1995 May;115(2):349-55." Approved Benzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines "Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Benzazepines; Cardiovascular Agents; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Heterocyclic Compounds, Fused-Ring; Cardiac Therapy; Vasodilating Agents; Antihypertensive Agents; Neurotransmitter Agents; Drugs that are Mainly Renally Excreted; Dopamine Agents; Dopamine D1 Receptor Agonists; Dopamine Agonists" OC1=CC=C(C=C1)C1CNCCC2=C(Cl)C(O)=C(O)C=C12 46504963 D00613 PA164784034 DAP000254 Fenoldopam CHEMBL588 24853 DB00801 Halazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 29950725; 23038269 "Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27.@@Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4." Approved; Illicit; Withdrawn "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Psycholeptics" FC(F)(F)CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1 46508415 D00338 PA164746526 DAP000679 Halazepam CHEMBL970 26412 DB00802 Alfentanil BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 10955836; 15694871; 16906017; 11240090; 11752352 "Garrido M, Gubbens-Stibbe J, Tukker E, Cox E, von Frijtag J, Kunzel D, IJzerman A, Danhof M, van der Graaf PH: Pharmacokinetic-pharmacodynamic analysis of the EEG effect of alfentanil in rats following beta-funaltrexamine-induced mu-opioid receptor ""knockdown"" in vivo. Pharm Res. 2000 Jun;17(6):653-9.@@Lotsch J, Geisslinger G: Are mu-opioid receptor polymorphisms important for clinical opioid therapy? Trends Mol Med. 2005 Feb;11(2):82-9.@@Oertel BG, Schmidt R, Schneider A, Geisslinger G, Lotsch J: The mu-opioid receptor gene polymorphism 118A>G depletes alfentanil-induced analgesia and protects against respiratory depression in homozygous carriers. Pharmacogenet Genomics. 2006 Sep;16(9):625-36.@@Leung A, Wallace MS, Ridgeway B, Yaksh T: Concentration-effect relationship of intravenous alfentanil and ketamine on peripheral neurosensory thresholds, allodynia and hyperalgesia of neuropathic pain. Pain. 2001 Mar;91(1-2):177-87.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Illicit Anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "Opioid Anesthetics; Sensory System Agents; Anesthetics, General; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Phenylpiperidine opioids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Opiate Agonists; Anesthetics, Intravenous; High-risk opioids; Opioid Agonist; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Opioids, Anilidopiperidine; Piperidines; Central Nervous System Agents; Fentanyl and fentanyl analogues; Bradycardia-Causing Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Opioids" CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)C2=CC=CC=C2)C1=O Alfentanil Action Pathway drug_action 11173 46505618 D07122 PA448084 DAP001134 Alfentanil CHEMBL634 480 DB00804 Dicyclomine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 3612532; 10188802 "Doods HN, Mathy MJ, Davidesko D, van Charldorp KJ, de Jonge A, van Zwieten PA: Selectivity of muscarinic antagonists in radioligand and in vivo experiments for the putative M1, M2 and M3 receptors. J Pharmacol Exp Ther. 1987 Jul;242(1):257-62.@@Kilbinger H, von Bardeleben RS, Siefken H, Wolf D: Prejunctional muscarinic receptors regulating neurotransmitter release in airways. Life Sci. 1995;56(11-12):981-7. doi: 10.1016/0024-3205(95)00037-7." Approved Carboxylic acid esters Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives "Autonomic Agents; Anticholinergic Agents; Muscarinic Antagonists; Cycloparaffins; Drugs for Functional Gastrointestinal Disorders; Acids, Carbocyclic; Parasympatholytics; Neurotransmitter Agents; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Agents producing tachycardia; Cholinergic Agents; Drugs that are Mainly Renally Excreted; Peripheral Nervous System Agents; Cyclohexanes; Cyclohexanecarboxylic Acids; Antimuscarinics Antispasmodics; Alimentary Tract and Metabolism" CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1 6425 46505371 PA164744928 DAP001118 Dicycloverine CHEMBL1123 3361 DB00804 Dicyclomine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 9059856; 3612532 "Pavia J, Munoz M, Jimenez E, Martos F, Gonzalez-Correa JA, De la Cruz JP, Garcia V, Sanchez de la Cuesta F: Pharmacological characterization and distribution of muscarinic receptors in human placental syncytiotrophoblast brush-border and basal plasma membranes. Eur J Pharmacol. 1997 Feb 12;320(2-3):209-14.@@Doods HN, Mathy MJ, Davidesko D, van Charldorp KJ, de Jonge A, van Zwieten PA: Selectivity of muscarinic antagonists in radioligand and in vivo experiments for the putative M1, M2 and M3 receptors. J Pharmacol Exp Ther. 1987 Jul;242(1):257-62." Approved Carboxylic acid esters Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives "Autonomic Agents; Anticholinergic Agents; Muscarinic Antagonists; Cycloparaffins; Drugs for Functional Gastrointestinal Disorders; Acids, Carbocyclic; Parasympatholytics; Neurotransmitter Agents; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Agents producing tachycardia; Cholinergic Agents; Drugs that are Mainly Renally Excreted; Peripheral Nervous System Agents; Cyclohexanes; Cyclohexanecarboxylic Acids; Antimuscarinics Antispasmodics; Alimentary Tract and Metabolism" CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1 6425 46505371 PA164744928 DAP001118 Dicycloverine CHEMBL1123 3361 DB00805 Minaprine BE0000393 HTR2B P41595 5HT2B_HUMAN antagonist 17139284; 17016423; 1361012; 2975224; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kodama K, Shibata S, Ueki S: Protective effect of minaprine against the abnormal changes of 2-deoxyglucose uptake by rat hippocampal slices induced by hypoxia/hypoglycemia. Jpn J Pharmacol. 1992 Sep;60(1):33-8.@@Muramatsu M, Tamaki-Ohashi J, Usuki C, Araki H, Chaki S, Aihara H: 5-HT2 antagonists and minaprine block the 5-HT-induced inhibition of dopamine release from rat brain striatal slices. Eur J Pharmacol. 1988 Aug 9;153(1):89-95.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Phenylpyridazines Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Central Nervous System Stimulants; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Agents that produce hypertension; Serotonin Agents; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Cholinesterase Inhibitors; Nervous System; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates CC1=CC(=NN=C1NCCN1CCOCC1)C1=CC=CC=C1 46505380 D05039 PA164748351 DAP000475 Minaprine CHEMBL278819 30031 DB00805 Minaprine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 17139284; 17016423; 1361012; 2975224 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kodama K, Shibata S, Ueki S: Protective effect of minaprine against the abnormal changes of 2-deoxyglucose uptake by rat hippocampal slices induced by hypoxia/hypoglycemia. Jpn J Pharmacol. 1992 Sep;60(1):33-8.@@Muramatsu M, Tamaki-Ohashi J, Usuki C, Araki H, Chaki S, Aihara H: 5-HT2 antagonists and minaprine block the 5-HT-induced inhibition of dopamine release from rat brain striatal slices. Eur J Pharmacol. 1988 Aug 9;153(1):89-95." Approved Phenylpyridazines Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Central Nervous System Stimulants; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Agents that produce hypertension; Serotonin Agents; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Cholinesterase Inhibitors; Nervous System; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates CC1=CC(=NN=C1NCCN1CCOCC1)C1=CC=CC=C1 46505380 D05039 PA164748351 DAP000475 Minaprine CHEMBL278819 30031 DB00806 Pentoxifylline BE0000924 ADORA2A P29274 AA2AR_HUMAN agonist 19997047; 23699177 "Kreth S, Ledderose C, Luchting B, Weis F, Thiel M: Immunomodulatory properties of pentoxifylline are mediated via adenosine-dependent pathways. Shock. 2010 Jul;34(1):10-6. doi: 10.1097/SHK.0b013e3181cdc3e2.@@Konrad FM, Neudeck G, Vollmer I, Ngamsri KC, Thiel M, Reutershan J: Protective effects of pentoxifylline in pulmonary inflammation are adenosine receptor A2A dependent. FASEB J. 2013 Sep;27(9):3524-35. doi: 10.1096/fj.13-228122. Epub 2013 May 22." Approved; Investigational Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Peripheral Vasodilators; Antioxidants; Purines; Enzyme Inhibitors; Protective Agents; Hematologic Activity Alteration; Cardiovascular Agents; Cytochrome P-450 Substrates; Alkaloids; Free Radical Scavengers; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Purine Derivatives; Antiplatelet agents; Radiation-Protective Agents; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Purinones; Xanthine derivatives; Phosphodiesterase Inhibitors; Compounds used in a research, industrial, or household setting; Hematologic Agents; Blood Viscosity Reducer; Phosphodiesterase 5 Inhibitors; Cytochrome P-450 CYP1A2 Substrates; Hemorrheologic Agents" CN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C 1929 46505940 D00501 PA450864 DAP000048 Pentoxifylline CHEMBL628 8013 DB00808 Indapamide BE0000419 SLC12A3 P55017 S12A3_HUMAN inhibitor 23729436; 24444254; 20528637 "Ma F, Lin F, Chen C, Cheng J, Zeldin DC, Wang Y, Wang DW: Indapamide lowers blood pressure by increasing production of epoxyeicosatrienoic acids in the kidney. Mol Pharmacol. 2013 Aug;84(2):286-95. doi: 10.1124/mol.113.085878. Epub 2013 May 31.@@Tamargo J, Segura J, Ruilope LM: Diuretics in the treatment of hypertension. Part 1: thiazide and thiazide-like diuretics. Expert Opin Pharmacother. 2014 Mar;15(4):527-47. doi: 10.1517/14656566.2014.879118. Epub 2014 Jan 20.@@Duarte JD, Cooper-DeHoff RM: Mechanisms for blood pressure lowering and metabolic effects of thiazide and thiazide-like diuretics. Expert Rev Cardiovasc Ther. 2010 Jun;8(6):793-802. doi: 10.1586/erc.10.27." Approved Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides "QTc Prolonging Agents; Thiazide-like Diuretic; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Amides; Lipid Modifying Agents; Indoles; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Cytochrome P-450 Substrates; Low-Ceiling Diuretics, Excl. Thiazides; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Non Potassium Sparing Diuretics; Natriuretic Agents; Increased Diuresis; Sulfur Compounds" CC1CC2=CC=CC=C2N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O Indapamide Action Pathway drug_action 1960 46508626 D00345 PA449975 DAP000498 Indapamide CHEMBL406 5764 DB00809 Tropicamide BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 17594079 "Betz AJ, McLaughlin PJ, Burgos M, Weber SM, Salamone JD: The muscarinic receptor antagonist tropicamide suppresses tremulous jaw movements in a rodent model of parkinsonian tremor: possible role of M4 receptors. Psychopharmacology (Berl). 2007 Oct;194(3):347-59. Epub 2007 Jun 27." Approved; Investigational Phenylacetamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetamides Anticholinergic Agents; Muscarinic Antagonists; Mydriatics and Cycloplegics; Ophthalmologicals; Neurotransmitter Agents; Mydriatics; Cholinergic Agents; Peripheral Nervous System Agents; Autonomic Agents; Sensory Organs; Pyridines CCN(CC1=CC=NC=C1)C(=O)C(CO)C1=CC=CC=C1 5843 46505924 D00397 PA164749389 DAP000345 Tropicamide CHEMBL1200604 10869 DB00809 Tropicamide BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 17594079 "Betz AJ, McLaughlin PJ, Burgos M, Weber SM, Salamone JD: The muscarinic receptor antagonist tropicamide suppresses tremulous jaw movements in a rodent model of parkinsonian tremor: possible role of M4 receptors. Psychopharmacology (Berl). 2007 Oct;194(3):347-59. Epub 2007 Jun 27." Approved; Investigational Phenylacetamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetamides Anticholinergic Agents; Muscarinic Antagonists; Mydriatics and Cycloplegics; Ophthalmologicals; Neurotransmitter Agents; Mydriatics; Cholinergic Agents; Peripheral Nervous System Agents; Autonomic Agents; Sensory Organs; Pyridines CCN(CC1=CC=NC=C1)C(=O)C(CO)C1=CC=CC=C1 5843 46505924 D00397 PA164749389 DAP000345 Tropicamide CHEMBL1200604 10869 DB00812 Phenylbutazone BE0000117 PTGIS Q16647 PTGIS_HUMAN inhibitor 17139284; 17016423; 3917545; 6434940; 3517382 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Reed GA, Griffin IO, Eling TE: Inactivation of prostaglandin H synthase and prostacyclin synthase by phenylbutazone. Requirement for peroxidative metabolism. Mol Pharmacol. 1985 Jan;27(1):109-14.@@Marnett LJ, Siedlik PH, Ochs RC, Pagels WR, Das M, Honn KV, Warnock RH, Tainer BE, Eling TE: Mechanism of the stimulation of prostaglandin H synthase and prostacyclin synthase by the antithrombotic and antimetastatic agent, nafazatrom. Mol Pharmacol. 1984 Sep;26(2):328-35.@@Tobin T, Chay S, Kamerling S, Woods WE, Weckman TJ, Blake JW, Lees P: Phenylbutazone in the horse: a review. J Vet Pharmacol Ther. 1986 Mar;9(1):1-25." Approved; Vet_approved Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Non COX-2 selective NSAIDS; Sensory System Agents; Antiinflammatory Preparations, Non-Steroids for Topical Use; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Nephrotoxic agents; OAT1/SLC22A6 inhibitors; Cytochrome P-450 Enzyme Inducers; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrazolones; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Musculo-Skeletal System; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Butylpyrazolidines; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Pyrazoles; Cytochrome P-450 CYP3A Inducers; Antirheumatic Agents" CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1 Phenylbutazone Action Pathway drug_action 9536 46507038 D00510 PA450932 DAP000974 Phenylbutazone CHEMBL101 8160 DB00813 Fentanyl BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 15589524; 16114980; 16332149; 16376082; 16797997; 11752352; 19403616 "You HJ, Colpaert FC, Arendt-Nielsen L: The novel analgesic and high-efficacy 5-HT1A receptor agonist F 13640 inhibits nociceptive responses, wind-up, and after-discharges in spinal neurons and withdrawal reflexes. Exp Neurol. 2005 Jan;191(1):174-83.@@Scott LJ, Perry CM: Remifentanil: a review of its use during the induction and maintenance of general anaesthesia. Drugs. 2005;65(13):1793-823.@@Scott LJ, Perry CM: Spotlight on remifentanil for general anaesthesia. CNS Drugs. 2005;19(12):1069-74.@@Dosen-Micovic L, Ivanovic M, Micovic V: Steric interactions and the activity of fentanyl analogs at the mu-opioid receptor. Bioorg Med Chem. 2006 May 1;14(9):2887-95. Epub 2006 Jan 11.@@Dardonville C, Fernandez-Fernandez C, Gibbons SL, Ryan GJ, Jagerovic N, Gabilondo AM, Meana JJ, Callado LF: Synthesis and pharmacological studies of new hybrid derivatives of fentanyl active at the mu-opioid receptor and I2-imidazoline binding sites. Bioorg Med Chem. 2006 Oct 1;14(19):6570-80. Epub 2006 Jun 23.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Hajiha M, DuBord MA, Liu H, Horner RL: Opioid receptor mechanisms at the hypoglossal motor pool and effects on tongue muscle activity in vivo. J Physiol. 2009 Jun 1;587(Pt 11):2677-92. doi: 10.1113/jphysiol.2009.171678. Epub 2009 Apr 29." Approved; Illicit; Investigational; Vet_approved Fentanyls Organic compounds; Organoheterocyclic compounds; Piperidines; Fentanyls "Opioid Anesthetics; Sensory System Agents; Anesthetics, General; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neuraxial Anesthetics; Antidepressive Agents; Phenylpiperidine opioids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Drugs that are Mainly Renally Excreted; Serotonin Modulators; P-glycoprotein inhibitors; Agents that reduce seizure threshold; Opiate Agonists; Anesthetics, Intravenous; High-risk opioids; Opioid Agonist; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Opioids, Anilidopiperidine; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Fentanyl and fentanyl analogues; Bradycardia-Causing Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Opioids" CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1 Fentanyl Action Pathway drug_action 10124 46506372 D00320 PA449599 DAP000072 Fentanyl CHEMBL596 4337 DB00813 Fentanyl BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 15665994; 15828941; 15868528; 16372825; 16861092; 19403616 "Rodrigues AR, Castro MS, Francischi JN, Perez AC, Duarte ID: Participation of ATP-sensitive K+ channels in the peripheral antinociceptive effect of fentanyl in rats. Braz J Med Biol Res. 2005 Jan;38(1):91-7. Epub 2005 Jan 18.@@Poonawala T, Levay-Young BK, Hebbel RP, Gupta K: Opioids heal ischemic wounds in the rat. Wound Repair Regen. 2005 Mar-Apr;13(2):165-74.@@Sahin AS, Duman A, Atalik EK, Ogun CO, Sahin TK, Erol A, Ozergin U: The mechanisms of the direct vascular effects of fentanyl on isolated human saphenous veins in vitro. J Cardiothorac Vasc Anesth. 2005 Apr;19(2):197-200.@@Darwish M, Tempero K, Kirby M, Thompson J: Pharmacokinetics and dose proportionality of fentanyl effervescent buccal tablets in healthy volunteers. Clin Pharmacokinet. 2005;44(12):1279-86.@@Darwish M, Kirby M, Robertson P Jr, Tracewell W, Jiang JG: Pharmacokinetic properties of fentanyl effervescent buccal tablets: a phase I, open-label, crossover study of single-dose 100, 200, 400, and 800 microg in healthy adult volunteers. Clin Ther. 2006 May;28(5):707-14.@@Hajiha M, DuBord MA, Liu H, Horner RL: Opioid receptor mechanisms at the hypoglossal motor pool and effects on tongue muscle activity in vivo. J Physiol. 2009 Jun 1;587(Pt 11):2677-92. doi: 10.1113/jphysiol.2009.171678. Epub 2009 Apr 29." Approved; Illicit; Investigational; Vet_approved Fentanyls Organic compounds; Organoheterocyclic compounds; Piperidines; Fentanyls "Opioid Anesthetics; Sensory System Agents; Anesthetics, General; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neuraxial Anesthetics; Antidepressive Agents; Phenylpiperidine opioids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Drugs that are Mainly Renally Excreted; Serotonin Modulators; P-glycoprotein inhibitors; Agents that reduce seizure threshold; Opiate Agonists; Anesthetics, Intravenous; High-risk opioids; Opioid Agonist; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Opioids, Anilidopiperidine; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Fentanyl and fentanyl analogues; Bradycardia-Causing Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Opioids" CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1 Fentanyl Action Pathway drug_action 10124 46506372 D00320 PA449599 DAP000072 Fentanyl CHEMBL596 4337 DB00813 Fentanyl BE0001032 ABCB1 P08183 MDR1_HUMAN 11964599 "Wandel C, Kim R, Wood M, Wood A: Interaction of morphine, fentanyl, sufentanil, alfentanil, and loperamide with the efflux drug transporter P-glycoprotein. Anesthesiology. 2002 Apr;96(4):913-20." Approved; Illicit; Investigational; Vet_approved Fentanyls Organic compounds; Organoheterocyclic compounds; Piperidines; Fentanyls "Opioid Anesthetics; Sensory System Agents; Anesthetics, General; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neuraxial Anesthetics; Antidepressive Agents; Phenylpiperidine opioids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Drugs that are Mainly Renally Excreted; Serotonin Modulators; P-glycoprotein inhibitors; Agents that reduce seizure threshold; Opiate Agonists; Anesthetics, Intravenous; High-risk opioids; Opioid Agonist; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Opioids, Anilidopiperidine; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Fentanyl and fentanyl analogues; Bradycardia-Causing Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Opioids" CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1 Fentanyl Action Pathway drug_action 10124 46506372 D00320 PA449599 DAP000072 Fentanyl CHEMBL596 4337 DB00818 Propofol BE0002346 GABRB2 P47870 GBRB2_HUMAN potentiator 16402123 Franks NP: Molecular targets underlying general anaesthesia. Br J Pharmacol. 2006 Jan;147 Suppl 1:S72-81. Approved; Investigational; Vet_approved Cumenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Cumenes "Anesthetics, General; QTc Prolonging Agents; P-glycoprotein inducers; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Agents Causing Muscle Toxicity; Agents that reduce seizure threshold; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Nervous System; UGT1A6 substrate; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CC(C)C1=CC=CC(C(C)C)=C1O 8209 46504991 D00549 PA451141 DAP000662 Propofol CHEMBL526 8782 DB00818 Propofol BE0002345 GABRB3 P28472 GBRB3_HUMAN potentiator 16402123 Franks NP: Molecular targets underlying general anaesthesia. Br J Pharmacol. 2006 Jan;147 Suppl 1:S72-81. Approved; Investigational; Vet_approved Cumenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Cumenes "Anesthetics, General; QTc Prolonging Agents; P-glycoprotein inducers; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Agents Causing Muscle Toxicity; Agents that reduce seizure threshold; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Nervous System; UGT1A6 substrate; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CC(C)C1=CC=CC(C(C)C)=C1O 8209 46504991 D00549 PA451141 DAP000662 Propofol CHEMBL526 8782 DB00818 Propofol BE0002081 SCN2A Q99250 SCN2A_HUMAN inhibitor 18574460 "Haeseler G, Karst M, Foadi N, Gudehus S, Roeder A, Hecker H, Dengler R, Leuwer M: High-affinity blockade of voltage-operated skeletal muscle and neuronal sodium channels by halogenated propofol analogues. Br J Pharmacol. 2008 Sep;155(2):265-75. doi: 10.1038/bjp.2008.255. Epub 2008 Jun 23." Approved; Investigational; Vet_approved Cumenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Cumenes "Anesthetics, General; QTc Prolonging Agents; P-glycoprotein inducers; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Agents Causing Muscle Toxicity; Agents that reduce seizure threshold; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Nervous System; UGT1A6 substrate; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CC(C)C1=CC=CC(C(C)C)=C1O 8209 46504991 D00549 PA451141 DAP000662 Propofol CHEMBL526 8782 DB00819 Acetazolamide BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 20605094; 18336310 "Avvaru BS, Wagner JM, Maresca A, Scozzafava A, Robbins AH, Supuran CT, McKenna R: Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors. Bioorg Med Chem Lett. 2010 Aug 1;20(15):4376-81. doi: 10.1016/j.bmcl.2010.06.082. Epub 2010 Jun 17.@@Mincione F, Scozzafava A, Supuran CT: The development of topically acting carbonic anhydrase inhibitors as antiglaucoma agents. Curr Pharm Des. 2008;14(7):649-54." Approved; Vet_approved Thiadiazole sulfonamides Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; Cardiovascular Agents; Thiazoles; Antiglaucoma Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Antiglaucoma Preparations and Miotics; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP3A4 Inhibitors; Thiadiazoles; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Carbonic Anhydrase Inhibitors; Natriuretic Agents; Ophthalmologicals; Central Nervous System Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Anticonvulsants; Sensory Organs CC(=O)NC1=NN=C(S1)S(N)(=O)=O 6299 46504493 D00218 PA448018 DAP000600 Acetazolamide CHEMBL20 167 DB00819 Acetazolamide BE0003625 CA3 P07451 CAH3_HUMAN inhibitor 20605094 "Avvaru BS, Wagner JM, Maresca A, Scozzafava A, Robbins AH, Supuran CT, McKenna R: Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors. Bioorg Med Chem Lett. 2010 Aug 1;20(15):4376-81. doi: 10.1016/j.bmcl.2010.06.082. Epub 2010 Jun 17." Approved; Vet_approved Thiadiazole sulfonamides Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; Cardiovascular Agents; Thiazoles; Antiglaucoma Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Antiglaucoma Preparations and Miotics; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP3A4 Inhibitors; Thiadiazoles; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Carbonic Anhydrase Inhibitors; Natriuretic Agents; Ophthalmologicals; Central Nervous System Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Anticonvulsants; Sensory Organs CC(=O)NC1=NN=C(S1)S(N)(=O)=O 6299 46504493 D00218 PA448018 DAP000600 Acetazolamide CHEMBL20 167 DB00820 Tadalafil BE0000182 PDE5A O76074 PDE5A_HUMAN inhibitor 14498756; 12074215; 12603396; 12625031; 17979301; 15213306 "Curran M, Keating G: Tadalafil. Drugs. 2003;63(20):2203-12; discussion 2213-4.@@Eardley I, Cartledge J: Tadalafil (Cialis) for men with erectile dysfunction. Int J Clin Pract. 2002 May;56(4):300-4.@@Montorsi F, Salonia A, Deho' F, Cestari A, Guazzoni G, Rigatti P, Stief C: Pharmacological management of erectile dysfunction. BJU Int. 2003 Mar;91(5):446-54.@@Rotella DP: Tadalafil Lilly ICOS. Curr Opin Investig Drugs. 2003 Jan;4(1):60-5.@@Zoraghi R, Francis SH, Corbin JD: Critical amino acids in phosphodiesterase-5 catalytic site that provide for high-affinity interaction with cyclic guanosine monophosphate and inhibitors. Biochemistry. 2007 Nov 27;46(47):13554-63. Epub 2007 Nov 3.@@Blount MA, Beasley A, Zoraghi R, Sekhar KR, Bessay EP, Francis SH, Corbin JD: Binding of tritiated sildenafil, tadalafil, or vardenafil to the phosphodiesterase-5 catalytic site displays potency, specificity, heterogeneity, and cGMP stimulation. Mol Pharmacol. 2004 Jul;66(1):144-52. doi: 10.1124/mol.66.1.144." Approved; Investigational Beta carbolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyridoindoles "Antihypertensives for Pulmonary Arterial Hypertension; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Carbolines; Indoles; Pyridines; Cardiovascular Agents; 5-alpha Reductase Inhibitors; Urological Agents; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Vasodilating Agents; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Phosphodiesterase 5 Inhibitors; Drugs Used in Erectile Dysfunction; Drugs Used in Benign Prostatic Hypertrophy" [H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](N1C(=O)CN(C)C2=O)C1=CC2=C(OCO2)C=C1 12346 46507646 D02008 PA10333 DAP000615 Tadalafil CHEMBL779 358263 DB00820 Tadalafil BE0003558 PDE11A Q9HCR9 PDE11_HUMAN inhibitor 19641165; 17696499; 29667180 "Weeks JL 2nd, Corbin JD, Francis SH: Interactions between cyclic nucleotide phosphodiesterase 11 catalytic site and substrates or tadalafil and role of a critical Gln-869 hydrogen bond. J Pharmacol Exp Ther. 2009 Oct;331(1):133-41. doi: 10.1124/jpet.109.156935. Epub 2009 Jul 29.@@Weeks JL 2nd, Zoraghi R, Francis SH, Corbin JD: N-Terminal domain of phosphodiesterase-11A4 (PDE11A4) decreases affinity of the catalytic site for substrates and tadalafil, and is involved in oligomerization. Biochemistry. 2007 Sep 11;46(36):10353-64. Epub 2007 Aug 16.@@Andersson KE: PDE5 inhibitors - pharmacology and clinical applications 20 years after sildenafil discovery. Br J Pharmacol. 2018 Jul;175(13):2554-2565. doi: 10.1111/bph.14205. Epub 2018 Apr 25." Approved; Investigational Beta carbolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyridoindoles "Antihypertensives for Pulmonary Arterial Hypertension; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Carbolines; Indoles; Pyridines; Cardiovascular Agents; 5-alpha Reductase Inhibitors; Urological Agents; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Vasodilating Agents; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Phosphodiesterase 5 Inhibitors; Drugs Used in Erectile Dysfunction; Drugs Used in Benign Prostatic Hypertrophy" [H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](N1C(=O)CN(C)C2=O)C1=CC2=C(OCO2)C=C1 12346 46507646 D02008 PA10333 DAP000615 Tadalafil CHEMBL779 358263 DB00820 Tadalafil BE0003556 PDE6G P18545 CNRG_HUMAN inhibitor 29667180 Andersson KE: PDE5 inhibitors - pharmacology and clinical applications 20 years after sildenafil discovery. Br J Pharmacol. 2018 Jul;175(13):2554-2565. doi: 10.1111/bph.14205. Epub 2018 Apr 25. Approved; Investigational Beta carbolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyridoindoles "Antihypertensives for Pulmonary Arterial Hypertension; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Carbolines; Indoles; Pyridines; Cardiovascular Agents; 5-alpha Reductase Inhibitors; Urological Agents; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Vasodilating Agents; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Phosphodiesterase 5 Inhibitors; Drugs Used in Erectile Dysfunction; Drugs Used in Benign Prostatic Hypertrophy" [H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](N1C(=O)CN(C)C2=O)C1=CC2=C(OCO2)C=C1 12346 46507646 D02008 PA10333 DAP000615 Tadalafil CHEMBL779 358263 DB00822 Disulfiram BE0000133 ALDH2 P05091 ALDH2_HUMAN inhibitor 16051882; 17220694 "Mackenzie IS, Maki-Petaja KM, McEniery CM, Bao YP, Wallace SM, Cheriyan J, Monteith S, Brown MJ, Wilkinson IB: Aldehyde dehydrogenase 2 plays a role in the bioactivation of nitroglycerin in humans. Arterioscler Thromb Vasc Biol. 2005 Sep;25(9):1891-5. Epub 2005 Jul 28.@@Ho MP, Yo CH, Liu CM, Chen CL, Lee CC: Refractive hypotension in a patient with disulfiram-ethanol reaction. Am J Med Sci. 2007 Jan;333(1):53-5." Approved Thiuram disulfides Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Disulfides; QTc Prolonging Agents; Enzyme Inhibitors; Sulfides; Cytochrome P-450 CYP3A Substrates; Alcohol Deterrents; Drugs Used in Addictive Disorders; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Carbamates; Acetyl Aldehyde Dehydrogenase Inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Drugs Used in Alcohol Dependence; Thiocarbamates; Agents that reduce seizure threshold; Acids, Acyclic; Ectoparasiticides, Incl. Scabicides; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Aldehyde Dehydrogenase Inhibitor; Central Nervous System Agents; Sulfur Containing Products; Nervous System; Sulfur Compounds; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents" CCN(CC)C(=S)SSC(=S)N(CC)CC Disulfiram Action Pathway drug_action 5805 46506008 D00131 PA449376 DAP000012 Disulfiram CHEMBL964 3554 DB00823 Ethynodiol diacetate BE0000557 PGR P06401 PRGR_HUMAN agonist 858280; 166800; 11752352 "Tamaya T, Nioka S, Furuta N, Shimura T, Takano N: Contribution of functional groups of 19-nor-progestogens to binding to progesterone and estradiol-17beta receptors in rabbit uterus. Endocrinology. 1977 Jun;100(6):1579-84.@@Briggs MH: Contraceptive steroid binding to the human uterine progesterone-receptor. Curr Med Res Opin. 1975;3(2):95-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents" [H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](OC(C)=O)C=C3CC[C@@]21[H] 7410 46506993 D01294 PA164749157 DAP000856 Etynodiol_diacetate CHEMBL1200624 4170 DB00823 Ethynodiol diacetate BE0000123 ESR1 P03372 ESR1_HUMAN agonist 17139284; 17016423; 4123746 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kappus H, Bolt HM, Remmer H: Affinity of ethynyl-estradiol and mestranol for the uterine estrogen receptor and for the microsomal mixed function oxidase of the liver. J Steroid Biochem. 1973 Mar;4(2):121-8." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents" [H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](OC(C)=O)C=C3CC[C@@]21[H] 7410 46506993 D01294 PA164749157 DAP000856 Etynodiol_diacetate CHEMBL1200624 4170 DB00824 Enprofylline BE0000487 PDE4B Q07343 PDE4B_HUMAN inhibitor 27472311; 7680859 "Monteiro JP, Alves MG, Oliveira PF, Silva BM: Structure-Bioactivity Relationships of Methylxanthines: Trying to Make Sense of All the Promises and the Drawbacks. Molecules. 2016 Jul 27;21(8). pii: molecules21080974. doi: 10.3390/molecules21080974.@@Ukena D, Schudt C, Sybrecht GW: Adenosine receptor-blocking xanthines as inhibitors of phosphodiesterase isozymes. Biochem Pharmacol. 1993 Feb 24;45(4):847-51." Approved; Experimental Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Respiratory System Agents; Heterocyclic Compounds, Fused-Ring; Purines; Purinergic P1 Receptor Antagonists; Purinones; Neurotransmitter Agents; Alkaloids; Anti-Asthmatic Agents; Bronchodilator Agents; Purinergic Agents; Peripheral Nervous System Agents; Autonomic Agents; Adenosine A2 Receptor Antagonists; Purinergic Antagonists" CCCN1C2=C(NC=N2)C(=O)NC1=O 46505790 D04006 PA164749350 DAP001375 Enprofylline CHEMBL279898 DB00824 Enprofylline BE0000241 ADORA2B P29275 AA2BR_HUMAN antagonist 15980878; 11752352 "Holgate ST: The Quintiles Prize Lecture 2004. The identification of the adenosine A2B receptor as a novel therapeutic target in asthma. Br J Pharmacol. 2005 Aug;145(8):1009-15.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Experimental Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Respiratory System Agents; Heterocyclic Compounds, Fused-Ring; Purines; Purinergic P1 Receptor Antagonists; Purinones; Neurotransmitter Agents; Alkaloids; Anti-Asthmatic Agents; Bronchodilator Agents; Purinergic Agents; Peripheral Nervous System Agents; Autonomic Agents; Adenosine A2 Receptor Antagonists; Purinergic Antagonists" CCCN1C2=C(NC=N2)C(=O)NC1=O 46505790 D04006 PA164749350 DAP001375 Enprofylline CHEMBL279898 DB00824 Enprofylline BE0001133 PDE4A P27815 PDE4A_HUMAN inhibitor 17670210; 1885257; 2262902; 3002801; 3446047; 11752352 "Featherstone RL, Chambers DJ: Long-term hypothermic lung preservation: does adenosine A1 receptor antagonism have a role in ischemic preconditioning protection? Interact Cardiovasc Thorac Surg. 2004 Mar;3(1):182-7.@@Dulloo AG, Seydoux J, Girardier L: Peripheral mechanisms of thermogenesis induced by ephedrine and caffeine in brown adipose tissue. Int J Obes. 1991 May;15(5):317-26.@@Dar MS: Central adenosinergic system involvement in ethanol-induced motor incoordination in mice. J Pharmacol Exp Ther. 1990 Dec;255(3):1202-9.@@Ukena D, Schirren CG, Schwabe U: Effects of enprofylline on A1 and A2 adenosine receptors. Eur J Pharmacol. 1985 Oct 29;117(1):25-33.@@Berg G, Andersson RG, Ryden G: Effects of different phosphodiesterase-inhibiting drugs on human pregnant myometrium: an in vitro study. Arch Int Pharmacodyn Ther. 1987 Dec;290(2):288-92.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Experimental Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Respiratory System Agents; Heterocyclic Compounds, Fused-Ring; Purines; Purinergic P1 Receptor Antagonists; Purinones; Neurotransmitter Agents; Alkaloids; Anti-Asthmatic Agents; Bronchodilator Agents; Purinergic Agents; Peripheral Nervous System Agents; Autonomic Agents; Adenosine A2 Receptor Antagonists; Purinergic Antagonists" CCCN1C2=C(NC=N2)C(=O)NC1=O 46505790 D04006 PA164749350 DAP001375 Enprofylline CHEMBL279898 DB00824 Enprofylline BE0000924 ADORA2A P29274 AA2AR_HUMAN inhibitor 10496952 "Linden J, Thai T, Figler H, Jin X, Robeva AS: Characterization of human A(2B) adenosine receptors: radioligand binding, western blotting, and coupling to G(q) in human embryonic kidney 293 cells and HMC-1 mast cells. Mol Pharmacol. 1999 Oct;56(4):705-13." Approved; Experimental Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Respiratory System Agents; Heterocyclic Compounds, Fused-Ring; Purines; Purinergic P1 Receptor Antagonists; Purinones; Neurotransmitter Agents; Alkaloids; Anti-Asthmatic Agents; Bronchodilator Agents; Purinergic Agents; Peripheral Nervous System Agents; Autonomic Agents; Adenosine A2 Receptor Antagonists; Purinergic Antagonists" CCCN1C2=C(NC=N2)C(=O)NC1=O 46505790 D04006 PA164749350 DAP001375 Enprofylline CHEMBL279898 DB00825 Levomenthol BE0001186 TRPM8 Q7Z2W7 TRPM8_HUMAN inducer 12654248; 14757700; 15046718; 15190109; 15311065; 7529306; 11752352 "Story GM, Peier AM, Reeve AJ, Eid SR, Mosbacher J, Hricik TR, Earley TJ, Hergarden AC, Andersson DA, Hwang SW, McIntyre P, Jegla T, Bevan S, Patapoutian A: ANKTM1, a TRP-like channel expressed in nociceptive neurons, is activated by cold temperatures. Cell. 2003 Mar 21;112(6):819-29.@@Behrendt HJ, Germann T, Gillen C, Hatt H, Jostock R: Characterization of the mouse cold-menthol receptor TRPM8 and vanilloid receptor type-1 VR1 using a fluorometric imaging plate reader (FLIPR) assay. Br J Pharmacol. 2004 Feb;141(4):737-45. Epub 2004 Feb 2.@@Bandell M, Story GM, Hwang SW, Viswanath V, Eid SR, Petrus MJ, Earley TJ, Patapoutian A: Noxious cold ion channel TRPA1 is activated by pungent compounds and bradykinin. Neuron. 2004 Mar 25;41(6):849-57.@@Andersson DA, Chase HW, Bevan S: TRPM8 activation by menthol, icilin, and cold is differentially modulated by intracellular pH. J Neurosci. 2004 Jun 9;24(23):5364-9.@@Stein RJ, Santos S, Nagatomi J, Hayashi Y, Minnery BS, Xavier M, Patel AS, Nelson JB, Futrell WJ, Yoshimura N, Chancellor MB, De Miguel F: Cool (TRPM8) and hot (TRPV1) receptors in the bladder and male genital tract. J Urol. 2004 Sep;172(3):1175-8.@@Eccles R: Menthol and related cooling compounds. J Pharm Pharmacol. 1994 Aug;46(8):618-30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Menthane monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids "QTc Prolonging Agents; Basic Lotions and Liniments; Cytochrome P-450 CYP3A Substrates; Cyclohexanols; Other Cold and Cough Preparations; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antipruritics and Local Anesthetics; Calcium Channel Blockers; Cyclohexanes; Potential QTc-Prolonging Agents; Herbs and Natural Products; Vasodilating Agents; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; EENT Drugs, Miscellaneous; Antiarrhythmic agents; Bradycardia-Causing Agents; Other Analgesics" CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O 15195 46506513 D00064 PA164776605 DAP000876 Menthol CHEMBL470670 236388 DB00825 Levomenthol BE0001122 TRPA1 O75762 TRPA1_HUMAN inducer 12654248; 15931068; 16829128; 11752352 "Story GM, Peier AM, Reeve AJ, Eid SR, Mosbacher J, Hricik TR, Earley TJ, Hergarden AC, Andersson DA, Hwang SW, McIntyre P, Jegla T, Bevan S, Patapoutian A: ANKTM1, a TRP-like channel expressed in nociceptive neurons, is activated by cold temperatures. Cell. 2003 Mar 21;112(6):819-29.@@Namer B, Seifert F, Handwerker HO, Maihofner C: TRPA1 and TRPM8 activation in humans: effects of cinnamaldehyde and menthol. Neuroreport. 2005 Jun 21;16(9):955-9.@@Macpherson LJ, Hwang SW, Miyamoto T, Dubin AE, Patapoutian A, Story GM: More than cool: promiscuous relationships of menthol and other sensory compounds. Mol Cell Neurosci. 2006 Aug;32(4):335-43. Epub 2006 Jul 7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Menthane monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids "QTc Prolonging Agents; Basic Lotions and Liniments; Cytochrome P-450 CYP3A Substrates; Cyclohexanols; Other Cold and Cough Preparations; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antipruritics and Local Anesthetics; Calcium Channel Blockers; Cyclohexanes; Potential QTc-Prolonging Agents; Herbs and Natural Products; Vasodilating Agents; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; EENT Drugs, Miscellaneous; Antiarrhythmic agents; Bradycardia-Causing Agents; Other Analgesics" CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O 15195 46506513 D00064 PA164776605 DAP000876 Menthol CHEMBL470670 236388 DB00825 Levomenthol BE0008715 CACNA1C O00555 CAC1A_HUMAN antagonist 16121523; 2856502 "Grigoleit HG, Grigoleit P: Pharmacology and preclinical pharmacokinetics of peppermint oil. Phytomedicine. 2005 Aug;12(8):612-6. doi: 10.1016/j.phymed.2004.10.007.@@Hawthorn M, Ferrante J, Luchowski E, Rutledge A, Wei XY, Triggle DJ: The actions of peppermint oil and menthol on calcium channel dependent processes in intestinal, neuronal and cardiac preparations. Aliment Pharmacol Ther. 1988 Apr;2(2):101-18." Approved Menthane monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids "QTc Prolonging Agents; Basic Lotions and Liniments; Cytochrome P-450 CYP3A Substrates; Cyclohexanols; Other Cold and Cough Preparations; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antipruritics and Local Anesthetics; Calcium Channel Blockers; Cyclohexanes; Potential QTc-Prolonging Agents; Herbs and Natural Products; Vasodilating Agents; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; EENT Drugs, Miscellaneous; Antiarrhythmic agents; Bradycardia-Causing Agents; Other Analgesics" CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O 15195 46506513 D00064 PA164776605 DAP000876 Menthol CHEMBL470670 236388 DB00829 Diazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved; Illicit; Investigational; Vet_approved "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Muscle Relaxants, Centrally Acting Agents; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Muscle Relaxants; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Anesthetics, Intravenous; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2C18 Substrates; Adjuvants, Anesthesia; Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Anticonvulsants" CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1 9418 46505210 D00293 PA449283 DNC000549 Diazepam CHEMBL12 3322 DB00831 Trifluoperazine BE0000666 CALY Q9NYX4 CALY_HUMAN antagonist 11752352; 945467; 17407813 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Seeman P, Lee T, Chau-Wong M, Wong K: Antipsychotic drug doses and neuroleptic/dopamine receptors. Nature. 1976 Jun 24;261(5562):717-9.@@Madrid PB, Polgar WE, Toll L, Tanga MJ: Synthesis and antitubercular activity of phenothiazines with reduced binding to dopamine and serotonin receptors. Bioorg Med Chem Lett. 2007 Jun 1;17(11):3014-7. Epub 2007 Mar 24." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Phenothiazines; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Gastrointestinal Agents; Autonomic Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Photosensitizing Agents; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Phenothiazines With Piperazine Structure; Agents that produce hypertension; Peripheral Nervous System Agents; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Neurotransmitter Agents; Antiemetics; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents" CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1 7997 46507961 D08636 PA451771 DAP000034 Trifluoperazine CHEMBL422 10800 DB00831 Trifluoperazine BE0004350 S100A4 P26447 S10A4_HUMAN inhibitor 10592235; 20421509 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Malashkevich VN, Dulyaninova NG, Ramagopal UA, Liriano MA, Varney KM, Knight D, Brenowitz M, Weber DJ, Almo SC, Bresnick AR: Phenothiazines inhibit S100A4 function by inducing protein oligomerization. Proc Natl Acad Sci U S A. 2010 May 11;107(19):8605-10. doi: 10.1073/pnas.0913660107. Epub 2010 Apr 26." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Phenothiazines; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Gastrointestinal Agents; Autonomic Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Photosensitizing Agents; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Phenothiazines With Piperazine Structure; Agents that produce hypertension; Peripheral Nervous System Agents; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Neurotransmitter Agents; Antiemetics; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents" CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1 7997 46507961 D08636 PA451771 DAP000034 Trifluoperazine CHEMBL422 10800 DB00834 Mifepristone BE0000557 PGR P06401 PRGR_HUMAN antagonist 10374120; 10682471; 10699595; 10806733; 11783365; 11752352 "Greb RR, Kiesel L, Selbmann AK, Wehrmann M, Hodgen GD, Goodman AL, Wallwiener D: Disparate actions of mifepristone (RU 486) on glands and stroma in the primate endometrium. Hum Reprod. 1999 Jan;14(1):198-206.@@Sun M, Zhu G, Zhou L: [Effect of mifepristone on the expression of progesterone receptor messenger RNA and protein in uterine leiomyomata]. Zhonghua Fu Chan Ke Za Zhi. 1998 Apr;33(4):227-31.@@Hazra BG, Basu S, Pore VS, Joshi PL, Pal D, Chakrabarti P: Synthesis of 11beta-(4-dimethylaminophenyl)-17beta-hydroxy-17alpha- (3-methyl-1-butynyl)-4, 9-estradien-3-one and 11beta-(4-acetophenyl)- 17beta-hydroxy-17alpha-(3-methyl-1-butynyl)-4, 9-estradien-3-one: two new analogs of mifepristone (RU-486). Steroids. 2000 Mar;65(3):157-62.@@Gao Y, Cheng L, Liu Y: [Failure of mifepristone induced interruption of pregnancy: point mutation at genetic codon 722 in human progesterone receptor gene]. Zhonghua Fu Chan Ke Za Zhi. 1998 Sep;33(9):549-52.@@Jiang J, Wu R, Wang Z: [Effects of mifepristone on expression of estrogen receptor and progesterone receptor in cultured human eutopic and ectopic endometria]. Zhonghua Fu Chan Ke Za Zhi. 2001 Apr;36(4):218-21.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Hormone Antagonists; Blood Glucose Lowering Agents; Estrenes; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Luteolytic Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Abortifacient Agents; Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Progestational Hormone Receptor Antagonists; Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Abortifacient Agents, Steroidal; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; OATP1B3 inhibitors; Adrenal Cortex Hormones; Progestin Antagonist; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Contraceptive Agents, Hormonal; Menstruation-Inducing Agents; BSEP/ABCB11 Substrates; Progesterone Receptor Modulators; Cytochrome P-450 CYP3A7 Inhibitors; Contraceptives, Oral; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A Inducers; Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] 22628 46505795 D00585 PA450500 DAP000090 Mifepristone CHEMBL1276308 6964 DB00834 Mifepristone BE0000794 NR3C1 P04150 GCR_HUMAN antagonist 10796070; 15120421; 15336699; 15909120; 16723527; 19284324 "LeVan TD, Babin EA, Yamamura HI, Bloom JW: Pharmacological characterization of glucocorticoid receptors in primary human bronchial epithelial cells. Biochem Pharmacol. 1999 May 1;57(9):1003-9.@@Attardi BJ, Burgenson J, Hild SA, Reel JR: In vitro antiprogestational/antiglucocorticoid activity and progestin and glucocorticoid receptor binding of the putative metabolites and synthetic derivatives of CDB-2914, CDB-4124, and mifepristone. J Steroid Biochem Mol Biol. 2004 Mar;88(3):277-88.@@Aida K, Shi Q, Wang J, VandeBerg JL, McDonald T, Nathanielsz P, Wang XL: The effects of betamethasone (BM) on endothelial nitric oxide synthase (eNOS) expression in adult baboon femoral arterial endothelial cells. J Steroid Biochem Mol Biol. 2004 Aug;91(4-5):219-24.@@Gu G, Hentunen TA, Nars M, Harkonen PL, Vaananen HK: Estrogen protects primary osteocytes against glucocorticoid-induced apoptosis. Apoptosis. 2005 May;10(3):583-95.@@de Pablos RM, Villaran RF, Arguelles S, Herrera AJ, Venero JL, Ayala A, Cano J, Machado A: Stress increases vulnerability to inflammation in the rat prefrontal cortex. J Neurosci. 2006 May 24;26(21):5709-19.@@Ayalasomayajula SP, Ashton P, Kompella UB: Fluocinolone inhibits VEGF expression via glucocorticoid receptor in human retinal pigment epithelial (ARPE-19) cells and TNF-alpha-induced angiogenesis in chick chorioallantoic membrane (CAM). J Ocul Pharmacol Ther. 2009 Apr;25(2):97-103. doi: 10.1089/jop.2008.0090." Approved; Investigational Oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Hormone Antagonists; Blood Glucose Lowering Agents; Estrenes; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Luteolytic Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Abortifacient Agents; Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Progestational Hormone Receptor Antagonists; Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Abortifacient Agents, Steroidal; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; OATP1B3 inhibitors; Adrenal Cortex Hormones; Progestin Antagonist; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Contraceptive Agents, Hormonal; Menstruation-Inducing Agents; BSEP/ABCB11 Substrates; Progesterone Receptor Modulators; Cytochrome P-450 CYP3A7 Inhibitors; Contraceptives, Oral; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A Inducers; Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] 22628 46505795 D00585 PA450500 DAP000090 Mifepristone CHEMBL1276308 6964 DB00835 Brompheniramine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 1680053; 1970615; 7714410; 7855217; 10212017; 11752352 "Bokesoy TA, Onaran HO: Atypical Schild plots with histamine H1 receptor agonists and antagonists in the rabbit aorta. Eur J Pharmacol. 1991 May 2;197(1):49-56.@@Onaran HO, Bokesoy TA: Kinetics of antagonism at histamine-H1 receptors in isolated rabbit arteries. Naunyn Schmiedebergs Arch Pharmacol. 1990 Apr;341(4):316-23.@@Yanni JM, Stephens DJ, Parnell DW, Spellman JM: Preclinical efficacy of emedastine, a potent, selective histamine H1 antagonist for topical ocular use. J Ocul Pharmacol. 1994 Winter;10(4):665-75.@@Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Yasuda SU, Yasuda RP: Affinities of brompheniramine, chlorpheniramine, and terfenadine at the five human muscarinic cholinergic receptor subtypes. Pharmacotherapy. 1999 Apr;19(4):447-51.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Pheniramines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines Potential QTc-Prolonging Agents; Anticholinergic Agents; Anti-Allergic Agents; Cytochrome P-450 CYP2B6 Substrates; Muscarinic Antagonists; QTc Prolonging Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Propylamine Derivatives; Substituted Alkylamines; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents; Agents producing tachycardia; Pyridines CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1 Brompheniramine H1-Antihistamine Action drug_action 10205 46508137 D07543 PA448675 DAP001066 Brompheniramine CHEMBL811 1767 DB00835 Brompheniramine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 10212017 "Yasuda SU, Yasuda RP: Affinities of brompheniramine, chlorpheniramine, and terfenadine at the five human muscarinic cholinergic receptor subtypes. Pharmacotherapy. 1999 Apr;19(4):447-51." Approved Pheniramines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines Potential QTc-Prolonging Agents; Anticholinergic Agents; Anti-Allergic Agents; Cytochrome P-450 CYP2B6 Substrates; Muscarinic Antagonists; QTc Prolonging Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Propylamine Derivatives; Substituted Alkylamines; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents; Agents producing tachycardia; Pyridines CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1 Brompheniramine H1-Antihistamine Action drug_action 10205 46508137 D07543 PA448675 DAP001066 Brompheniramine CHEMBL811 1767 DB00835 Brompheniramine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 10212017 "Yasuda SU, Yasuda RP: Affinities of brompheniramine, chlorpheniramine, and terfenadine at the five human muscarinic cholinergic receptor subtypes. Pharmacotherapy. 1999 Apr;19(4):447-51." Approved Pheniramines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines Potential QTc-Prolonging Agents; Anticholinergic Agents; Anti-Allergic Agents; Cytochrome P-450 CYP2B6 Substrates; Muscarinic Antagonists; QTc Prolonging Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Propylamine Derivatives; Substituted Alkylamines; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents; Agents producing tachycardia; Pyridines CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1 Brompheniramine H1-Antihistamine Action drug_action 10205 46508137 D07543 PA448675 DAP001066 Brompheniramine CHEMBL811 1767 DB00835 Brompheniramine BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 10212017 "Yasuda SU, Yasuda RP: Affinities of brompheniramine, chlorpheniramine, and terfenadine at the five human muscarinic cholinergic receptor subtypes. Pharmacotherapy. 1999 Apr;19(4):447-51." Approved Pheniramines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines Potential QTc-Prolonging Agents; Anticholinergic Agents; Anti-Allergic Agents; Cytochrome P-450 CYP2B6 Substrates; Muscarinic Antagonists; QTc Prolonging Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Propylamine Derivatives; Substituted Alkylamines; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents; Agents producing tachycardia; Pyridines CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1 Brompheniramine H1-Antihistamine Action drug_action 10205 46508137 D07543 PA448675 DAP001066 Brompheniramine CHEMBL811 1767 DB00836 Loperamide BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 10087042; 14592702; 8488368; 11752352; 6319884; 18284554 "DeHaven-Hudkins DL, Burgos LC, Cassel JA, Daubert JD, DeHaven RN, Mansson E, Nagasaka H, Yu G, Yaksh T: Loperamide (ADL 2-1294), an opioid antihyperalgesic agent with peripheral selectivity. J Pharmacol Exp Ther. 1999 Apr;289(1):494-502.@@Tan-No K, Niijima F, Nakagawasai O, Sato T, Satoh S, Tadano T: Development of tolerance to the inhibitory effect of loperamide on gastrointestinal transit in mice. Eur J Pharm Sci. 2003 Nov;20(3):357-63.@@Roge J, Baumer P, Berard H, Schwartz JC, Lecomte JM: The enkephalinase inhibitor, acetorphan, in acute diarrhoea. A double-blind, controlled clinical trial versus loperamide. Scand J Gastroenterol. 1993 Apr;28(4):352-4.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Giagnoni G, Casiraghi L, Senini R, Revel L, Parolaro D, Sala M, Gori E: Loperamide: evidence of interaction with mu and delta opioid receptors. Life Sci. 1983;33 Suppl 1:315-8.@@di Bosco AM, Grieco P, Diurno MV, Campiglia P, Novellino E, Mazzoni O: Binding site of loperamide: automated docking of loperamide in human mu- and delta-opioid receptors. Chem Biol Drug Des. 2008 Apr;71(4):328-35. doi: 10.1111/j.1747-0285.2008.00637.x. Epub 2008 Feb 12." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Antipropulsives; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antidiarrheals; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2D6 Substrates; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Piperidines; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents" CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1 2251 46504591 D08144 PA450262 DAP000425 Loperamide CHEMBL841 6468 DB00836 Loperamide BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 11752352; 6319884; 18284554 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Giagnoni G, Casiraghi L, Senini R, Revel L, Parolaro D, Sala M, Gori E: Loperamide: evidence of interaction with mu and delta opioid receptors. Life Sci. 1983;33 Suppl 1:315-8.@@di Bosco AM, Grieco P, Diurno MV, Campiglia P, Novellino E, Mazzoni O: Binding site of loperamide: automated docking of loperamide in human mu- and delta-opioid receptors. Chem Biol Drug Des. 2008 Apr;71(4):328-35. doi: 10.1111/j.1747-0285.2008.00637.x. Epub 2008 Feb 12." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Antipropulsives; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antidiarrheals; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2D6 Substrates; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Piperidines; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents" CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1 2251 46504591 D08144 PA450262 DAP000425 Loperamide CHEMBL841 6468 DB00836 Loperamide BE0000356 CACNA1A O00555 CAC1A_HUMAN blocker 17139284; 17016423; 8183255 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Church J, Fletcher EJ, Abdel-Hamid K, MacDonald JF: Loperamide blocks high-voltage-activated calcium channels and N-methyl-D-aspartate-evoked responses in rat and mouse cultured hippocampal pyramidal neurons. Mol Pharmacol. 1994 Apr;45(4):747-57." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Antipropulsives; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antidiarrheals; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2D6 Substrates; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Piperidines; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents" CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1 2251 46504591 D08144 PA450262 DAP000425 Loperamide CHEMBL841 6468 DB00837 Progabide BE0000795 GABRA1 P14867 GBRA1_HUMAN agonist 17139284; 17016423; 9443561; 7831422; 2985405 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Agmo A, Belzung C: Interactions between dopamine and GABA in the control of ambulatory activity and neophobia in the mouse. Pharmacol Biochem Behav. 1998 Jan;59(1):239-47.@@Grech DM, Balster RL: Pentobarbital-like discriminative stimulus effects of direct GABA agonists in rats. Psychopharmacology (Berl). 1993;110(3):295-301.@@Fadda F, Mosca E, Meloni R, Gessa GL: Suppression by progabide of ethanol withdrawal syndrome in rats. Eur J Pharmacol. 1985 Mar 12;109(3):321-5." Experimental "Amino Acids; GABA Agents; Aminobutyrates; Psychotropic Drugs; Anti-Parkinson Drugs; Central Nervous System Agents; Central Nervous System Depressants; GABA Agonists; Butyrates; Neurotransmitter Agents; Anticonvulsants; Antidepressive Agents; Nervous System; Acids, Acyclic; Fatty Acid Derivatives; Amino Acids, Peptides, and Proteins; Anti-Dyskinesia Agents" OC(=N)CCCN=C(C1=CC=C(Cl)C=C1)C1=C(O)C=CC(F)=C1 46506568 D05621 PA164747990 DAP000258 Progabide CHEMBL287631 34568 DB00838 Clocortolone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 18691892; 18022656; 12188035 "Ali A, Balkovec JM, Greenlee M, Hammond ML, Rouen G, Taylor G, Einstein M, Ge L, Harris G, Kelly TM, Mazur P, Pandit S, Santoro J, Sitlani A, Wang C, Williamson J, Forrest MJ, Carballo-Jane E, Luell S, Lowitz K, Visco D: Discovery of betamethasone 17alpha-carbamates as dissociated glucocorticoid receptor modulators in the rat. Bioorg Med Chem. 2008 Aug 15;16(16):7535-42. doi: 10.1016/j.bmc.2008.07.037. Epub 2008 Jul 20.@@Buchwald P: Glucocorticoid receptor binding: a biphasic dependence on molecular size as revealed by the bilinear LinBiExp model. Steroids. 2008 Feb;73(2):193-208. Epub 2007 Oct 11.@@Tanigawa K, Nagase H, Ohmori K, Tanaka K, Miyake H, Kiniwa M, Ikizawa K: Species-specific differences in the glucocorticoid receptor transactivation function upon binding with betamethasone-esters. Int Immunopharmacol. 2002 Jun;2(7):941-50." Approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Fused-Ring Compounds; Steroids, Fluorinated; Immunosuppressive Agents; Corticosteroids; Pregnanes; Adrenal Cortex Hormones; Anti-Inflammatory Agents; Pregnadienediols; Corticosteroids, Dermatological Preparations; Corticosteroid Hormone Receptor Agonists; Dermatologicals; Pregnadienes; Steroids; Corticosteroids, Moderately Potent (Group II); Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C 46505290 D07719 PA164744013 DAP001190 Clocortolone 21249 DB00841 Dobutamine BE0004863 ADRA1A P25100 ADA1D_HUMAN agonist 6270308 "Ruffolo RR Jr, Spradlin TA, Pollock GD, Waddell JE, Murphy PJ: Alpha and beta adrenergic effects of the stereoisomers of dobutamine. J Pharmacol Exp Ther. 1981 Nov;219(2):447-52." Approved Catecholamines and derivatives Organic compounds; Benzenoids; Phenols; Benzenediols "Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Cardiotonic Agents; Adrenergic Agonists; Sympathomimetic (Adrenergic) Agents; Phenethylamines; Sympathomimetics; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Selective Beta 1-adrenergic Agonists; Adrenergic alpha-1 Receptor Agonists; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Adrenergic beta-1 Receptor Agonists; Ethylamines; Adrenergic Agents" CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1 Dobutamine Action Pathway drug_action 11085 46505241 D03879 PA449381 DAP000245 Dobutamine CHEMBL926 3616 DB00841 Dobutamine BE0000123 ESR1 P03372 ESR1_HUMAN 24928891 "McRobb FM, Kufareva I, Abagyan R: In silico identification and pharmacological evaluation of novel endocrine disrupting chemicals that act via the ligand-binding domain of the estrogen receptor alpha. Toxicol Sci. 2014 Sep;141(1):188-97. doi: 10.1093/toxsci/kfu114. Epub 2014 Jun 13." Approved Catecholamines and derivatives Organic compounds; Benzenoids; Phenols; Benzenediols "Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Cardiotonic Agents; Adrenergic Agonists; Sympathomimetic (Adrenergic) Agents; Phenethylamines; Sympathomimetics; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Selective Beta 1-adrenergic Agonists; Adrenergic alpha-1 Receptor Agonists; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Adrenergic beta-1 Receptor Agonists; Ethylamines; Adrenergic Agents" CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1 Dobutamine Action Pathway drug_action 11085 46505241 D03879 PA449381 DAP000245 Dobutamine CHEMBL926 3616 DB00842 Oxazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "UGT2B7 substrates; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Drugs that are Mainly Renally Excreted; Psycholeptics; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; UGT1A9 Substrates; Neurotransmitter Agents; Nervous System" OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2 9956 46506031 D00464 PA450731 DAP000243 Oxazepam CHEMBL568 7781 DB00843 Donepezil BE0002180 BCHE P06276 CHLE_HUMAN inducer 16863459; 14751402; 23930233; 11256231 "Seltzer B: Donepezil: a review. Expert Opin Drug Metab Toxicol. 2005 Oct;1(3):527-36. doi: 10.1517/17425255.1.3.527 .@@Liston DR, Nielsen JA, Villalobos A, Chapin D, Jones SB, Hubbard ST, Shalaby IA, Ramirez A, Nason D, White WF: Pharmacology of selective acetylcholinesterase inhibitors: implications for use in Alzheimer's disease. Eur J Pharmacol. 2004 Feb 13;486(1):9-17. doi: 10.1016/j.ejphar.2003.11.080.@@Nordberg A, Ballard C, Bullock R, Darreh-Shori T, Somogyi M: A review of butyrylcholinesterase as a therapeutic target in the treatment of Alzheimer's disease. Prim Care Companion CNS Disord. 2013;15(2). pii: 12r01412. doi: 10.4088/PCC.12r01412. Epub 2013 Mar 7.@@Ogura H, Kosasa T, Kuriya Y, Yamanishi Y: Comparison of inhibitory activities of donepezil and other cholinesterase inhibitors on acetylcholinesterase and butyrylcholinesterase in vitro. Methods Find Exp Clin Pharmacol. 2000 Oct;22(8):609-13." Approved N-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines "Enzyme Inhibitors; Indans; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Anti-Dementia Drugs; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Psychoanaleptics; Indenes; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Nootropic Agents; Piperidines; Parasympathomemetic (Cholinergic) Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System" COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1 11485 46504803 D00670 PA449394 DAP000560 Donepezil CHEMBL502 135447 DB00843 Donepezil BE0000067 NOS1 P29475 NOS1_HUMAN inhibitor 20153342; 18580182; 29273047 "Hwang J, Hwang H, Lee HW, Suk K: Microglia signaling as a target of donepezil. Neuropharmacology. 2010 Jun;58(7):1122-9. doi: 10.1016/j.neuropharm.2010.02.003. Epub 2010 Feb 11.@@Nakahata K, Kinoshita H, Hama-Tomioka K, Ishida Y, Matsuda N, Hatakeyama N, Haba M, Kondo T, Hatano Y: Cholinesterase inhibitor donepezil dilates cerebral parenchymal arterioles via the activation of neuronal nitric oxide synthase. Anesthesiology. 2008 Jul;109(1):124-9. doi: 10.1097/ALN.0b013e31817c0316.@@Haraguchi Y, Mizoguchi Y, Ohgidani M, Imamura Y, Murakawa-Hirachi T, Nabeta H, Tateishi H, Kato TA, Monji A: Donepezil suppresses intracellular Ca(2+) mobilization through the PI3K pathway in rodent microglia. J Neuroinflammation. 2017 Dec 22;14(1):258. doi: 10.1186/s12974-017-1033-0." Approved N-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines "Enzyme Inhibitors; Indans; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Anti-Dementia Drugs; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Psychoanaleptics; Indenes; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Nootropic Agents; Piperidines; Parasympathomemetic (Cholinergic) Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System" COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1 11485 46504803 D00670 PA449394 DAP000560 Donepezil CHEMBL502 135447 DB00843 Donepezil BE0004903 NFKB2 P19838 NFKB1_HUMAN inhibitor 24189446; 25652642 "Kim HG, Moon M, Choi JG, Park G, Kim AJ, Hur J, Lee KT, Oh MS: Donepezil inhibits the amyloid-beta oligomer-induced microglial activation in vitro and in vivo. Neurotoxicology. 2014 Jan;40:23-32. doi: 10.1016/j.neuro.2013.10.004. Epub 2013 Nov 1.@@Srinivasan M, Lahiri DK: Significance of NF-kappaB as a pivotal therapeutic target in the neurodegenerative pathologies of Alzheimer's disease and multiple sclerosis. Expert Opin Ther Targets. 2015 Apr;19(4):471-87. doi: 10.1517/14728222.2014.989834. Epub 2015 Feb 4." Approved N-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines "Enzyme Inhibitors; Indans; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Anti-Dementia Drugs; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Psychoanaleptics; Indenes; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Nootropic Agents; Piperidines; Parasympathomemetic (Cholinergic) Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System" COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1 11485 46504803 D00670 PA449394 DAP000560 Donepezil CHEMBL502 135447 DB00844 Nalbuphine BE0000770 OPRM1 P35372 OPRM_HUMAN antagonist 10844102; 8388112; 9084061; 9399970; 18425947; 16517095; 19403853; 15602503; 18810678; 17407276 "Kishioka S, Ko MC, Woods JH: Diltiazem enhances the analgesic but not the respiratory depressant effects of morphine in rhesus monkeys. Eur J Pharmacol. 2000 May 26;397(1):85-92.@@Hoehe M, Duka T: Opiates increase plasma catecholamines in humans. Psychoneuroendocrinology. 1993;18(2):141-8.@@Zernig G, Lewis JW, Woods JH: Clocinnamox inhibits the intravenous self-administration of opioid agonists in rhesus monkeys: comparison with effects on opioid agonist-mediated antinociception. Psychopharmacology (Berl). 1997 Feb;129(3):233-42.@@Picker MJ: Discriminative stimulus effects of the mixed-opioid agonist/antagonist dezocine: cross-substitution by mu and delta opioid agonists. J Pharmacol Exp Ther. 1997 Dec;283(3):1009-17.@@McNicol ED, Boyce D, Schumann R, Carr DB: Mu-opioid antagonists for opioid-induced bowel dysfunction. Cochrane Database Syst Rev. 2008 Apr 16;(2):CD006332. doi: 10.1002/14651858.CD006332.pub2.@@Tao PL, Liang KW, Sung WY, Wu YT, Huang EY: Nalbuphine is effective in decreasing the rewarding effect induced by morphine in rats. Drug Alcohol Depend. 2006 Sep 15;84(2):175-81. Epub 2006 Mar 6.@@Smith MA, Greene-Naples JL, Lyle MA, Iordanou JC, Felder JN: The effects of repeated opioid administration on locomotor activity: I. Opposing actions of mu and kappa receptors. J Pharmacol Exp Ther. 2009 Aug;330(2):468-75. doi: 10.1124/jpet.108.150011. Epub 2009 Apr 29.@@Mello NK, Mendelson JH, Sholar MB, Jaszyna-Gasior M, Goletiani N, Siegel AJ: Effects of the mixed mu/kappa opioid nalbuphine on cocaine-induced changes in subjective and cardiovascular responses in men. Neuropsychopharmacology. 2005 Mar;30(3):618-32.@@Meerpohl JJ, Timmer A: [News from the cochrane library: mu opioid antagonists for opioid-induced bowel dysfunction]. Z Gastroenterol. 2008 Sep;46(9):917-21. doi: 10.1055/s-2008-1027720. Epub 2008 Sep 22.@@Peng X, Knapp BI, Bidlack JM, Neumeyer JL: Pharmacological properties of bivalent ligands containing butorphan linked to nalbuphine, naltrexone, and naloxone at mu, delta, and kappa opioid receptors. J Med Chem. 2007 May 3;50(9):2254-8. Epub 2007 Apr 4." Approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Semi-synthetic Opioids; Narcotics; Morphinan Derivatives; Opiate Partial Agonists; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opioid Agonist/Antagonist; Central Nervous System Depressants; Alkaloids; Heterocyclic Compounds, Fused-Ring; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; Mixed Agonist / Antagonist Opioids; Nervous System; Opiate Alkaloids; Opioids" O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5 Nalbuphine Action Pathway drug_action 2008 46507383 D08246 PA164745372 DAP000380 Nalbuphine CHEMBL895 7238 DB00844 Nalbuphine BE0000420 OPRD1 P41143 OPRD_HUMAN antagonist 8093631; 2826773; 11752352 "Chen JC, Smith ER, Cahill M, Cohen R, Fishman JB: The opioid receptor binding of dezocine, morphine, fentanyl, butorphanol and nalbuphine. Life Sci. 1993;52(4):389-96.@@De Souza EB, Schmidt WK, Kuhar MJ: Nalbuphine: an autoradiographic opioid receptor binding profile in the central nervous system of an agonist/antagonist analgesic. J Pharmacol Exp Ther. 1988 Jan;244(1):391-402.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Semi-synthetic Opioids; Narcotics; Morphinan Derivatives; Opiate Partial Agonists; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opioid Agonist/Antagonist; Central Nervous System Depressants; Alkaloids; Heterocyclic Compounds, Fused-Ring; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; Mixed Agonist / Antagonist Opioids; Nervous System; Opiate Alkaloids; Opioids" O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5 Nalbuphine Action Pathway drug_action 2008 46507383 D08246 PA164745372 DAP000380 Nalbuphine CHEMBL895 7238 DB00845 Clofazimine BE0000215 PPARG P37231 PPARG_HUMAN modulator 31371410 "Kumar H, Chattopadhyay S, Das N, Shree S, Patel D, Mohapatra J, Gurjar A, Kushwaha S, Singh AK, Dubey S, Lata K, Kushwaha R, Mohammed R, Dastidar KG, Yadav N, Vishwakarma AL, Gayen JR, Bandyopadhyay S, Chatterjee A, Jain MR, Tripathi AK, Trivedi AK, Chattopadhyay N, Ramachandran R, Sanyal S: Leprosy drug clofazimine activates peroxisome proliferator-activated receptor-gamma and synergizes with imatinib to inhibit chronic myeloid leukemia cells. Haematologica. 2020 Apr;105(4):971-986. doi: 10.3324/haematol.2018.194910. Epub 2019 Aug 1." Approved; Investigational Phenazines and derivatives Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Anti-Inflammatory Agents; Anti-Bacterial Agents; Cytochrome P-450 CYP3A5 Inhibitors; Antiinfectives for Systemic Use; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Phenazines; Leprostatic Agents; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Drugs for Treatment of Lepra; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antimycobacterials; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Anti-Infective Agents" CC(C)N=C1C=C2N(C3=CC=C(Cl)C=C3)C3=C(C=CC=C3)N=C2C=C1NC1=CC=C(Cl)C=C1 46508174 D00278 PA164748759 DAP000789 Clofazimine CHEMBL1292 2592 DB00845 Clofazimine BE0004716 KCNA3 P22001 KCNA3_HUMAN antagonist 22020137 "Cholo MC, Steel HC, Fourie PB, Germishuizen WA, Anderson R: Clofazimine: current status and future prospects. J Antimicrob Chemother. 2012 Feb;67(2):290-8. doi: 10.1093/jac/dkr444. Epub 2011 Oct 20." Approved; Investigational Phenazines and derivatives Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Anti-Inflammatory Agents; Anti-Bacterial Agents; Cytochrome P-450 CYP3A5 Inhibitors; Antiinfectives for Systemic Use; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Phenazines; Leprostatic Agents; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Drugs for Treatment of Lepra; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antimycobacterials; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Anti-Infective Agents" CC(C)N=C1C=C2N(C3=CC=C(Cl)C=C3)C3=C(C=CC=C3)N=C2C=C1NC1=CC=C(Cl)C=C1 46508174 D00278 PA164748759 DAP000789 Clofazimine CHEMBL1292 2592 DB00846 Flurandrenolide BE0000794 NR3C1 P04150 GCR_HUMAN agonist 20346397; 16255837; 16507850 "Baschant U, Tuckermann J: The role of the glucocorticoid receptor in inflammation and immunity. J Steroid Biochem Mol Biol. 2010 May 31;120(2-3):69-75. doi: 10.1016/j.jsbmb.2010.03.058. Epub 2010 Mar 24.@@Fitzgerald P, O'Brien SM, Scully P, Rijkers K, Scott LV, Dinan TG: Cutaneous glucocorticoid receptor sensitivity and pro-inflammatory cytokine levels in antidepressant-resistant depression. Psychol Med. 2006 Jan;36(1):37-43. Epub 2005 Oct 28.@@Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6." Approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnenes; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Substrates; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Pregnenediones; Corticosteroid Hormone Receptor Agonists; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO 7569 46505159 D00328 PA164750513 DAP000418 Fludroxycortide CHEMBL1201012 4500 DB00847 Cysteamine BE0002419 NPY2R P49146 NPY2R_HUMAN other/unknown 1314592 "Li W, Hexum TD: Cysteamine selectively enhances neuropeptide Y2 receptor binding activity. Biochem Biophys Res Commun. 1992 Apr 15;184(1):380-6." Approved; Investigational Alkylthiols Organic compounds; Organosulfur compounds; Thiols; Alkylthiols "Cystine Depleting Agents; Cystine Disulfide Reduction; EENT Drugs, Miscellaneous; Amines; Ophthalmologicals; Sensory Organs; Amino Acids and Derivatives; Mercaptoethylamines; Sulfur Compounds; Ethylamines; Other Miscellaneous Therapeutic Agents; Sulfhydryl Compounds; Alimentary Tract and Metabolism; Ophthalmics" NCCS Taurine and Hypotaurine Metabolism; Pantothenate and CoA Biosynthesis metabolic 22871 46507730 D03634 PA449171 DAP001297 Cysteamine CHEMBL602 3022 DB00848 Levamisole BE0003585 CHRNA3 P32297 ACHA3_HUMAN agonist 17139284; 17016423; 15280391; 17314321; 17629760; 19668355; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Culetto E, Baylis HA, Richmond JE, Jones AK, Fleming JT, Squire MD, Lewis JA, Sattelle DB: The Caenorhabditis elegans unc-63 gene encodes a levamisole-sensitive nicotinic acetylcholine receptor alpha subunit. J Biol Chem. 2004 Oct 8;279(41):42476-83. Epub 2004 Jul 27.@@Rayes D, Flamini M, Hernando G, Bouzat C: Activation of single nicotinic receptor channels from Caenorhabditis elegans muscle. Mol Pharmacol. 2007 May;71(5):1407-15. Epub 2007 Feb 21.@@Parker S, Peterkin HS, Baylis HA: Muscular dystrophy associated mutations in caveolin-1 induce neurotransmission and locomotion defects in Caenorhabditis elegans. Invert Neurosci. 2007 Sep;7(3):157-64. Epub 2007 Jul 13.@@Hu Y, Xiao SH, Aroian RV: The new anthelmintic tribendimidine is an L-type (levamisole and pyrantel) nicotinic acetylcholine receptor agonist. PLoS Negl Trop Dis. 2009 Aug 11;3(8):e499. doi: 10.1371/journal.pntd.0000499.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational; Vet_approved; Withdrawn Imidazothiazoles Organic compounds; Organoheterocyclic compounds; Imidazothiazoles "Anti-Infective Agents; Thiazoles; Immunologic Factors; Antiparasitic Products, Insecticides and Repellents; Levamisole, analogs & derivatives; Imidazoles; Adjuvants, Immunologic; Sulfur Compounds; Antirheumatic Agents; Anthelmintics; Imidazothiazole Derivatives; Antinematodal Agents; Antiparasitic Agents" C1CN2C[C@@H](N=C2S1)C1=CC=CC=C1 2801 46509052 D08114 PA450205 DAP000570 Levamisole CHEMBL1454 6371 DB00849 Methylphenobarbital BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 11264449; 10209232; 21194017 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Olsen RW, Li GD: GABA(A) receptors as molecular targets of general anesthetics: identification of binding sites provides clues to allosteric modulation. Can J Anaesth. 2011 Feb;58(2):206-15. doi: 10.1007/s12630-010-9429-7. Epub 2010 Dec 31." Approved Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Nicotinic Antagonists; Phenobarbital and similars; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1 46505197 D00700 PA450374 DAP000680 Methylphenobarbital CHEMBL45029 6758 DB00849 Methylphenobarbital BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 14579514; 10209232; 11264449; 10487207; 11752352; 17139284; 17016423; 21194017; 20692323 "Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Olsen RW, Li GD: GABA(A) receptors as molecular targets of general anesthetics: identification of binding sites provides clues to allosteric modulation. Can J Anaesth. 2011 Feb;58(2):206-15. doi: 10.1007/s12630-010-9429-7. Epub 2010 Dec 31.@@Roden WH, Peugh LD, Jansen LA: Altered GABA(A) receptor subunit expression and pharmacology in human Angelman syndrome cortex. Neurosci Lett. 2010 Oct 15;483(3):167-72. doi: 10.1016/j.neulet.2010.08.001. Epub 2010 Aug 6." Approved Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Nicotinic Antagonists; Phenobarbital and similars; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1 46505197 D00700 PA450374 DAP000680 Methylphenobarbital CHEMBL45029 6758 DB00849 Methylphenobarbital BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 11264449; 16248797; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Nicotinic Antagonists; Phenobarbital and similars; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1 46505197 D00700 PA450374 DAP000680 Methylphenobarbital CHEMBL45029 6758 DB00849 Methylphenobarbital BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Nicotinic Antagonists; Phenobarbital and similars; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1 46505197 D00700 PA450374 DAP000680 Methylphenobarbital CHEMBL45029 6758 DB00849 Methylphenobarbital BE0000826 GRIK2 Q13002 GRIK2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Nicotinic Antagonists; Phenobarbital and similars; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1 46505197 D00700 PA450374 DAP000680 Methylphenobarbital CHEMBL45029 6758 DB00851 Dacarbazine BE0000716 POLA2 Q14181 DPOA2_HUMAN other/unknown 17139284; 17016423; 3098406 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lonn U, Lohn S: Prevention of dacarbazine damage of human neoplastic cell DNA by aphidicolin. Cancer Res. 1987 Jan 1;47(1):26-30." Approved; Investigational 2-heteroaryl carboxamides Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives "Myelosuppressive Agents; Alkylating Activity; Triazenes; Noxae; Cytochrome P-450 Substrates; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Imidazoles; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents, Alkylating; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Alkylating Drugs; Narrow Therapeutic Index Drugs; Toxic Actions; Cytochrome P-450 CYP1A2 Substrates" CN(C)\N=N\C1=C(N=CN1)C(N)=O 2264 46507029 D00288 PA449197 DAP000533 Dacarbazine CHEMBL476 3098 DB00852 Pseudoephedrine BE0004878 NFATC1 O95644 NFAC1_HUMAN inhibitor 21631396 "Fiebich BL, Collado JA, Stratz C, Valina C, Hochholzer W, Munoz E, Bellido LM: Pseudoephedrine inhibits T-cell activation by targeting NF-kappaB, NFAT and AP-1 signaling pathways. Immunopharmacol Immunotoxicol. 2012 Feb;34(1):98-106. doi: 10.3109/08923973.2011.582118. Epub 2011 Jun 2." Approved Phenylpropanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes Adrenergic beta-Agonists; Amines; Adrenergic alpha-Agonists; Anti-Asthmatic Agents; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Nasal Decongestants; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Tumor Necrosis Factor Blockers; Autonomic Agents; Amino Alcohols; Amphetamines; Cardiovascular Agents; Alcohols; Vasoconstrictor Agents; Bronchodilator Agents; Nasal Preparations; Adrenergic Agonists; Sympathomimetic (Adrenergic) Agents; Phenethylamines; Nasal Decongestants for Systemic Use; Agents that produce hypertension; Propanols; Respiratory System Agents; Peripheral Nervous System Agents; Norepinephrine Releasing Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Propanolamines; Ethylamines; Sympathomimetics; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 8942 46508190 D08449 PA451170 DAP000195 Pseudoephedrine CHEMBL1590 8896 DB00852 Pseudoephedrine BE0001086 NFKB1 P19838 NFKB1_HUMAN inhibitor 21631396 "Fiebich BL, Collado JA, Stratz C, Valina C, Hochholzer W, Munoz E, Bellido LM: Pseudoephedrine inhibits T-cell activation by targeting NF-kappaB, NFAT and AP-1 signaling pathways. Immunopharmacol Immunotoxicol. 2012 Feb;34(1):98-106. doi: 10.3109/08923973.2011.582118. Epub 2011 Jun 2." Approved Phenylpropanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes Adrenergic beta-Agonists; Amines; Adrenergic alpha-Agonists; Anti-Asthmatic Agents; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Nasal Decongestants; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Tumor Necrosis Factor Blockers; Autonomic Agents; Amino Alcohols; Amphetamines; Cardiovascular Agents; Alcohols; Vasoconstrictor Agents; Bronchodilator Agents; Nasal Preparations; Adrenergic Agonists; Sympathomimetic (Adrenergic) Agents; Phenethylamines; Nasal Decongestants for Systemic Use; Agents that produce hypertension; Propanols; Respiratory System Agents; Peripheral Nervous System Agents; Norepinephrine Releasing Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Propanolamines; Ethylamines; Sympathomimetics; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 8942 46508190 D08449 PA451170 DAP000195 Pseudoephedrine CHEMBL1590 8896 DB00854 Levorphanol BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 12975489; 17039381 "Allen RM, Granger AL, Dykstra LA: The competitive N-methyl-D-aspartate receptor antagonist (-)-6-phosphonomethyl-deca-hydroisoquinoline-3-carboxylic acid (LY235959) potentiates the antinociceptive effects of opioids that vary in efficacy at the mu-opioid receptor. J Pharmacol Exp Ther. 2003 Nov;307(2):785-92. Epub 2003 Sep 15.@@Prommer E: Levorphanol: the forgotten opioid. Support Care Cancer. 2007 Mar;15(3):259-64. Epub 2006 Oct 13." Approved Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Central Nervous System Depressants; Narcotics; Alkaloids; Opioid Agonist; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opiate Alkaloids; Peripheral Nervous System Agents; Analgesics; Opioids" [H][C@@]12CCCC[C@@]11CCN(C)[C@@H]2CC2=C1C=C(O)C=C2 Levorphanol Action Pathway drug_action 46506558 D08123 PA164744368 DAP000268 Levorphanol CHEMBL592 6378 DB00854 Levorphanol BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 17039381 Prommer E: Levorphanol: the forgotten opioid. Support Care Cancer. 2007 Mar;15(3):259-64. Epub 2006 Oct 13. Approved Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Central Nervous System Depressants; Narcotics; Alkaloids; Opioid Agonist; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opiate Alkaloids; Peripheral Nervous System Agents; Analgesics; Opioids" [H][C@@]12CCCC[C@@]11CCN(C)[C@@H]2CC2=C1C=C(O)C=C2 Levorphanol Action Pathway drug_action 46506558 D08123 PA164744368 DAP000268 Levorphanol CHEMBL592 6378 DB00857 Terbinafine BE0000577 SQLE Q14534 ERG1_HUMAN inhibitor 12100530; 12226513; 12477372; 12963042; 14638499; 11752352; 1543672; 19874252 "Sander CS, Hipler UC, Wollina U, Elsner P: Inhibitory effect of terbinafine on reactive oxygen species (ROS) generation by Candida albicans. Mycoses. 2002 Jun;45(5-6):152-5.@@Wentzinger LF, Bach TJ, Hartmann MA: Inhibition of squalene synthase and squalene epoxidase in tobacco cells triggers an up-regulation of 3-hydroxy-3-methylglutaryl coenzyme a reductase. Plant Physiol. 2002 Sep;130(1):334-46.@@Darkes MJ, Scott LJ, Goa KL: Terbinafine: a review of its use in onychomycosis in adults. Am J Clin Dermatol. 2003;4(1):39-65.@@Klobucnikova V, Kohut P, Leber R, Fuchsbichler S, Schweighofer N, Turnowsky F, Hapala I: Terbinafine resistance in a pleiotropic yeast mutant is caused by a single point mutation in the ERG1 gene. Biochem Biophys Res Commun. 2003 Sep 26;309(3):666-71.@@Leber R, Fuchsbichler S, Klobucnikova V, Schweighofer N, Pitters E, Wohlfarter K, Lederer M, Landl K, Ruckenstuhl C, Hapala I, Turnowsky F: Molecular mechanism of terbinafine resistance in Saccharomyces cerevisiae. Antimicrob Agents Chemother. 2003 Dec;47(12):3890-900.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ryder NS: Terbinafine: mode of action and properties of the squalene epoxidase inhibition. Br J Dermatol. 1992 Feb;126 Suppl 39:2-7.@@Krishnan-Natesan S: Terbinafine: a pharmacological and clinical review. Expert Opin Pharmacother. 2009 Nov;10(16):2723-33. doi: 10.1517/14656560903307462." Approved; Investigational; Vet_approved Naphthalenes Organic compounds; Benzenoids; Naphthalenes Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors (weak); Antifungals for Dermatological Use; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 Substrates; Allylamines; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A4 Substrates; Antifungals for Systemic Use; Allylamine Antifungal; Anti-Infective Agents; Antifungals for Topical Use; Cytochrome P-450 CYP2C9 Substrates; Naphthalenes; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP1A2 Substrates CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=CC=CC=C12 707 46508519 D02375 PA451614 DAP000753 Terbinafine CHEMBL822 37801 DB00858 Drostanolone BE0000132 AR P10275 ANDR_HUMAN agonist 3758193; 15351799; 11752352 "Zakar T, Kaufmann G, Toth M: Assignment of anabolic-androgenic and antiandrogenic properties to some chlorine-substituted steroids on the basis of their binding characteristics to the androgen receptor of the rat seminal vesicle. Exp Clin Endocrinol. 1986 Jul;87(2):133-41.@@Takahashi M, Tatsugi Y, Kohno T: Endocrinological and pathological effects of anabolic-androgenic steroid in male rats. Endocr J. 2004 Aug;51(4):425-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Illicit Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids Fused-Ring Compounds; Androstanes; Steroids [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)[C@H](C)C[C@]12C 46508724 PA164760855 DAP000840 Drostanolone CHEMBL1582 23678 DB00860 Prednisolone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 19482847; 2879901 "Ikonomidis I, Tzortzis S, Lekakis J, Paraskevaidis I, Andreadou I, Nikolaou M, Kaplanoglou T, Katsimbri P, Skarantavos G, Soucacos P, Kremastinos DT: Lowering interleukin-1 activity with anakinra improves myocardial deformation in rheumatoid arthritis. Heart. 2009 Sep;95(18):1502-7. doi: 10.1136/hrt.2009.168971. Epub 2009 May 28.@@Boudinot FD, D'Ambrosio R, Jusko WJ: Receptor-mediated pharmacodynamics of prednisolone in the rat. J Pharmacokinet Biopharm. 1986 Oct;14(5):469-93." Approved; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnanes; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Dermatologicals; Corticosteroids for Local Oral Treatment; Corticosteroids, Weak (Group I); Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Corticosteroids Acting Locally; Cytochrome P-450 CYP3A4 Inducers; Stomatological Preparations; P-glycoprotein substrates; Pregnadienetriols; Steroids; Nasal Preparations; Alimentary Tract and Metabolism; Antineoplastic Agents; Hormones; Ophthalmological and Otological Preparations; Fused-Ring Compounds; Otologicals; Prednisolone and Prodrugs; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Antidotes; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Adrenals; Corticosteroids for Systemic Use; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Prednisolone Action Pathway; Prednisone Metabolism Pathway; Prednisolone Metabolism Pathway; Prednisone Action Pathway drug_metabolism; drug_action 7630 46504847 D00472 PA451096 DAP000419 Prednisolone CHEMBL131 8638 DB00862 Vardenafil BE0000182 PDE5A O76074 PDE5A_HUMAN inhibitor 16926278; 12625845; 11669467; 11890515; 14626653; 12955149; 17959709; 17979301 "Blount MA, Zoraghi R, Ke H, Bessay EP, Corbin JD, Francis SH: A 46-amino acid segment in phosphodiesterase-5 GAF-B domain provides for high vardenafil potency over sildenafil and tadalafil and is involved in phosphodiesterase-5 dimerization. Mol Pharmacol. 2006 Nov;70(5):1822-31. Epub 2006 Aug 22.@@Carrier S: Pharmacology of phosphodiesterase 5 inhibitors. Can J Urol. 2003 Feb;10 Suppl 1:12-6.@@Kim NN, Huang YH, Goldstein I, Bischoff E, Traish AM: Inhibition of cyclic GMP hydrolysis in human corpus cavernosum smooth muscle cells by vardenafil, a novel, selective phosphodiesterase type 5 inhibitor. Life Sci. 2001 Sep 28;69(19):2249-56.@@Saenz de Tejada I, Angulo J, Cuevas P, Fernandez A, Moncada I, Allona A, Lledo E, Korschen HG, Niewohner U, Haning H, Pages E, Bischoff E: The phosphodiesterase inhibitory selectivity and the in vitro and in vivo potency of the new PDE5 inhibitor vardenafil. Int J Impot Res. 2001 Oct;13(5):282-90.@@Scheen AJ: [Medication of the month. Vardenafil (Levitra)]. Rev Med Liege. 2003 Sep;58(9):576-9.@@Sung BJ, Hwang KY, Jeon YH, Lee JI, Heo YS, Kim JH, Moon J, Yoon JM, Hyun YL, Kim E, Eum SJ, Park SY, Lee JO, Lee TG, Ro S, Cho JM: Structure of the catalytic domain of human phosphodiesterase 5 with bound drug molecules. Nature. 2003 Sep 4;425(6953):98-102.@@Wang H, Ye M, Robinson H, Francis SH, Ke H: Conformational variations of both phosphodiesterase-5 and inhibitors provide the structural basis for the physiological effects of vardenafil and sildenafil. Mol Pharmacol. 2008 Jan;73(1):104-10. Epub 2007 Oct 24.@@Zoraghi R, Francis SH, Corbin JD: Critical amino acids in phosphodiesterase-5 catalytic site that provide for high-affinity interaction with cyclic guanosine monophosphate and inhibitors. Biochemistry. 2007 Nov 27;46(47):13554-63. Epub 2007 Nov 3." Approved Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Piperazines; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Urological Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Imidazoles; Cytochrome P-450 CYP2C8 Inhibitors (weak); Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Phosphodiesterase 5 Inhibitors; Drugs Used in Erectile Dysfunction CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(CC)CC1 13311 46506777 D08668 PA10229 DAP000414 Vardenafil CHEMBL1520 306674 DB00862 Vardenafil BE0003556 PDE6G P18545 CNRG_HUMAN inhibitor 18779324 "Zhang XJ, Cahill KB, Elfenbein A, Arshavsky VY, Cote RH: Direct allosteric regulation between the GAF domain and catalytic domain of photoreceptor phosphodiesterase PDE6. J Biol Chem. 2008 Oct 31;283(44):29699-705. doi: 10.1074/jbc.M803948200. Epub 2008 Sep 8." Approved Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Piperazines; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Urological Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Imidazoles; Cytochrome P-450 CYP2C8 Inhibitors (weak); Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Phosphodiesterase 5 Inhibitors; Drugs Used in Erectile Dysfunction CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(CC)CC1 13311 46506777 D08668 PA10229 DAP000414 Vardenafil CHEMBL1520 306674 DB00863 Ranitidine BE0000112 HRH2 P25021 HRH2_HUMAN antagonist 7554999; 2667937; 3691636; 7512805; 6085389 "Pattichis K, Louca LL: Histamine, histamine H2-receptor antagonists, gastric acid secretion and ulcers: an overview. Drug Metabol Drug Interact. 1995;12(1):1-36.@@Grant SM, Langtry HD, Brogden RN: Ranitidine. An updated review of its pharmacodynamic and pharmacokinetic properties and therapeutic use in peptic ulcer disease and other allied diseases. Drugs. 1989 Jun;37(6):801-70. doi: 10.2165/00003495-198937060-00003.@@Rubinstein R, Nissenkorn I, Cohen S: Acetylcholine mediation of the contractile response to histamine in human bladder detrusor muscle. Eur J Pharmacol. 1987 Oct 6;142(1):45-50. doi: 10.1016/0014-2999(87)90652-2.@@Doenicke A, Moss J, Lorenz W, Hoernecke R, Gottardis M: Are hypotension and rash after atracurium really caused by histamine release? Anesth Analg. 1994 May;78(5):967-72. doi: 10.1213/00000539-199405000-00023.@@Kirch W, Hutt HJ, Heidemann H, Ramsch K, Janisch HD, Ohnhaus EE: Drug interactions with nitrendipine. J Cardiovasc Pharmacol. 1984;6 Suppl 7:S982-5." Approved; Withdrawn Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Drugs for Acid Related Disorders; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Gastrointestinal Agents; OCT2 Substrates; OCT1 substrates; Anti-Ulcer Agents; Histamine H2 Antagonists; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Gastric Acid Lowering Agents; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Furans; Acid Reducers; Cholinesterase Inhibitors; OCT1 inhibitors; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CNC(NCCSCC1=CC=C(CN(C)C)O1)=C[N+]([O-])=O Ranitidine Action Pathway drug_action 11476 46505543 D00422 PA451224 DAP000340 Ranitidine CHEMBL1790041 9143 DB00864 Tacrolimus BE0000695 FKBP1A P62942 FKB1A_HUMAN inhibitor 16289353; 17524933 "Labrande C, Velly L, Canolle B, Guillet B, Masmejean F, Nieoullon A, Pisano P: Neuroprotective effects of tacrolimus (FK506) in a model of ischemic cortical cell cultures: role of glutamate uptake and FK506 binding protein 12 kDa. Neuroscience. 2006;137(1):231-9. Epub 2005 Nov 10.@@Masri M, Rizk S, Barbari A, Stephan A, Kamel G, Rost M: An assay for the determination of sirolimus levels in the lymphocyte of transplant patients. Transplant Proc. 2007 May;39(4):1204-6." Approved; Investigational Macrolide lactams Organic compounds; Phenylpropanoids and polyketides; Macrolide lactams "Calcineurin Inhibitor Immunosuppressant; OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Nephrotoxic agents; P-glycoprotein inducers; Dermatologicals; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Immunologic Factors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Misc. Skin and Mucous Membrane Agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Drugs causing inadvertant photosensitivity; Lactones; Polyketides; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Agents for Dermatitis, Excluding Corticosteroids; Calcineurin Inhibitors; Narrow Therapeutic Index Drugs" CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC 167 46506004 D00107 PA451578 DAP000162 Tacrolimus CHEMBL269732 235991 DB00866 Alprenolol BE0001012 ADRB3 P13945 ADRB3_HUMAN antagonist 14730417 "Hoffmann C, Leitz MR, Oberdorf-Maass S, Lohse MJ, Klotz KN: Comparative pharmacology of human beta-adrenergic receptor subtypes--characterization of stably transfected receptors in CHO cells. Naunyn Schmiedebergs Arch Pharmacol. 2004 Feb;369(2):151-9. Epub 2004 Jan 17." Experimental; Withdrawn Phenol ethers Organic compounds; Benzenoids; Phenol ethers "Amines; Serotonin 5-HT1 Receptor Antagonists; Antihypertensive Agents; Phenoxypropanolamines; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Amino Alcohols; Cardiovascular Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Sympatholytics; Alcohols; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Propanols; Peripheral Nervous System Agents; Beta Blocking Agents, Non-Selective; Antiarrhythmic agents; Propanolamines; Serotonin Agents; Adrenergic beta-Antagonists; Neurotransmitter Agents; Bradycardia-Causing Agents; Adrenergic Agents" CC(C)NCC(O)COC1=CC=CC=C1CC=C Alprenolol Action Pathway drug_action 46506033 D07156 PA164750541 DAP000941 Alprenolol CHEMBL266195 597 DB00867 Ritodrine BE0004872 ADRB1 P13945 ADRB3_HUMAN agonist 10601932; 7705467; 18492294; 4025448; 2821864; 22384628; 9735158 "Anumba DO, Ford GA, Boys RJ, Robson SC: Stimulated nitric oxide release and nitric oxide sensitivity in forearm arterial vasculature during normotensive and preeclamptic pregnancy. Am J Obstet Gynecol. 1999 Dec;181(6):1479-84. doi: 10.1016/s0002-9378(99)70394-7.@@Hamada Y, Nakaya Y, Hamada S, Kamada M, Aono T: Activation of K+ channels by ritodrine hydrochloride in uterine smooth muscle cells from pregnant women. Eur J Pharmacol. 1994 Dec 15;288(1):45-51. doi: 10.1016/0922-4106(94)90008-6.@@de Heus R, Mulder EJ, Derks JB, Visser GH: Acute tocolysis for uterine activity reduction in term labor: a review. Obstet Gynecol Surv. 2008 Jun;63(6):383-8; quiz 405. doi: 10.1097/OGX.0b013e31816ff75b.@@Caritis SN, Lin LS, Wong LK: Evaluation of the pharmacodynamics and pharmacokinetics of ritodrine when administered as a loading dose. On establishing a potentially useful drug administration regimen in cases of fetal distress. Am J Obstet Gynecol. 1985 Aug 15;152(8):1026-31.@@Ekblad U, Grenman S, Kaila T: The effect of a short-term ritodrine treatment on the concentration of beta-adrenergic receptors in human myometrium. Ann Chir Gynaecol Suppl. 1987;202:29-31.@@Pedzinska-Betiuk A, Modzelewska B, Jozwik M, Jozwik M, Kostrzewska A: Differences in the effects of beta2- and beta3-adrenoceptor agonists on spontaneous contractions of human nonpregnant myometrium. Ginekol Pol. 2011 Dec;82(12):918-24.@@Plenge-Tellechea F, Soler F, Fernandez-Belda F: Ritodrine inhibition of the plasma membrane Ca2+-ATPase from human erythrocyte. Arch Biochem Biophys. 1998 Sep 15;357(2):179-84. doi: 10.1006/abbi.1998.0812." Approved; Investigational "Adrenergic beta-Agonists; Sympathomimetics, Labour Repressants; Amines; Agents producing tachycardia; Tocolytic Agents; Autonomic Agents; Amino Alcohols; Alcohols; Genito Urinary System and Sex Hormones; Adrenergic Agonists; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Propanols; Peripheral Nervous System Agents; Propanolamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethylamines; Adrenergic Agents; Reproductive Control Agents" C[C@@H](NCCC1=CC=C(O)C=C1)[C@@H](O)C1=CC=C(O)C=C1 20347 46505273 D02359 PA451258 DAP000937 Ritodrine CHEMBL489553 9392 DB00867 Ritodrine BE0010002 ATP2C1 P16615 AT2A2_HUMAN inhibitor 9735158 "Plenge-Tellechea F, Soler F, Fernandez-Belda F: Ritodrine inhibition of the plasma membrane Ca2+-ATPase from human erythrocyte. Arch Biochem Biophys. 1998 Sep 15;357(2):179-84. doi: 10.1006/abbi.1998.0812." Approved; Investigational "Adrenergic beta-Agonists; Sympathomimetics, Labour Repressants; Amines; Agents producing tachycardia; Tocolytic Agents; Autonomic Agents; Amino Alcohols; Alcohols; Genito Urinary System and Sex Hormones; Adrenergic Agonists; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Propanols; Peripheral Nervous System Agents; Propanolamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethylamines; Adrenergic Agents; Reproductive Control Agents" C[C@@H](NCCC1=CC=C(O)C=C1)[C@@H](O)C1=CC=C(O)C=C1 20347 46505273 D02359 PA451258 DAP000937 Ritodrine CHEMBL489553 9392 DB00867 Ritodrine BE0004906 KCNMA1 Q9UGI6 KCNN3_HUMAN activator 7705467 "Hamada Y, Nakaya Y, Hamada S, Kamada M, Aono T: Activation of K+ channels by ritodrine hydrochloride in uterine smooth muscle cells from pregnant women. Eur J Pharmacol. 1994 Dec 15;288(1):45-51. doi: 10.1016/0922-4106(94)90008-6." Approved; Investigational "Adrenergic beta-Agonists; Sympathomimetics, Labour Repressants; Amines; Agents producing tachycardia; Tocolytic Agents; Autonomic Agents; Amino Alcohols; Alcohols; Genito Urinary System and Sex Hormones; Adrenergic Agonists; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Propanols; Peripheral Nervous System Agents; Propanolamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethylamines; Adrenergic Agents; Reproductive Control Agents" C[C@@H](NCCC1=CC=C(O)C=C1)[C@@H](O)C1=CC=C(O)C=C1 20347 46505273 D02359 PA451258 DAP000937 Ritodrine CHEMBL489553 9392 DB00867 Ritodrine BE0009492 MYLK Q15746 MYLK_HUMAN inhibitor 9277068 Sultatos LG: Mechanisms of drugs that affect uterine motility. J Nurse Midwifery. 1997 Jul-Aug;42(4):367-70. doi: 10.1016/s0091-2182(97)60134-2. Approved; Investigational "Adrenergic beta-Agonists; Sympathomimetics, Labour Repressants; Amines; Agents producing tachycardia; Tocolytic Agents; Autonomic Agents; Amino Alcohols; Alcohols; Genito Urinary System and Sex Hormones; Adrenergic Agonists; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Propanols; Peripheral Nervous System Agents; Propanolamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethylamines; Adrenergic Agents; Reproductive Control Agents" C[C@@H](NCCC1=CC=C(O)C=C1)[C@@H](O)C1=CC=C(O)C=C1 20347 46505273 D02359 PA451258 DAP000937 Ritodrine CHEMBL489553 9392 DB00869 Dorzolamide BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 10048009; 8781782; 15258186; 8070313; 9029437; 10614682; 8875343; 12356834; 11752352 "Lachmann C, Jorg KM, Trinkmann R: [Postoperative behavior of intraocular pressure after posterior Nd:YAG laser capsulotomy--critical evaluation in preventive administration of local carbonic anhydrase II inhibitor dorzolamide hydrochloride (Trusopt)]. Klin Monbl Augenheilkd. 1998 Dec;213(6):326-30.@@Wong BK, Bruhin PJ, Barrish A, Lin JH: Nonlinear dorzolamide pharmacokinetics in rats: concentration-dependent erythrocyte distribution and drug-metabolite displacement interaction. Drug Metab Dispos. 1996 Jun;24(6):659-63.@@Berg JT, Ramanathan S, Gabrielli MG, Swenson ER: Carbonic anhydrase in mammalian vascular smooth muscle. J Histochem Cytochem. 2004 Aug;52(8):1101-6.@@Hasegawa T, Hara K, Hata S: Binding of dorzolamide and its metabolite, N-deethylated dorzolamide, to human erythrocytes in vitro. Drug Metab Dispos. 1994 May-Jun;22(3):377-82.@@Maren TH, Conroy CW, Wynns GC, Levy NS: Ocular absorption, blood levels, and excretion of dorzolamide, a topically active carbonic anhydrase inhibitor. J Ocul Pharmacol Ther. 1997 Feb;13(1):23-30.@@Sugrue MF: Pharmacological and ocular hypotensive properties of topical carbonic anhydrase inhibitors. Prog Retin Eye Res. 2000 Jan;19(1):87-112.@@Sugrue MF: The preclinical pharmacology of dorzolamide hydrochloride, a topical carbonic anhydrase inhibitor. J Ocul Pharmacol Ther. 1996 Fall;12(3):363-76.@@Srinivas SP, Ong A, Zhai CB, Bonanno JA: Inhibition of carbonic anhydrase activity in cultured bovine corneal endothelial cells by dorzolamide. Invest Ophthalmol Vis Sci. 2002 Oct;43(10):3273-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved "2,3,5-trisubstituted thiophenes" "Organic compounds; Organoheterocyclic compounds; Thiophenes; 2,3,5-trisubstituted thiophenes" "Enzyme Inhibitors; Intraocular Pressure, drug effects; Antihypertensive Agents; Amides; Cardiovascular Agents; Sulfones; Cytochrome P-450 Substrates; Antiglaucoma Preparations and Miotics; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2E1 Substrates; Diuretics; Carbonic Anhydrase Inhibitors; Ophthalmologicals; Cytochrome P-450 CYP2C9 Substrates; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Sensory Organs" CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O 11213 46506754 D07871 PA164748765 DAP000775 Dorzolamide CHEMBL218490 60207 DB00869 Dorzolamide BE0003625 CA3 P07451 CAH3_HUMAN inhibitor 17826101 "Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25." Approved "2,3,5-trisubstituted thiophenes" "Organic compounds; Organoheterocyclic compounds; Thiophenes; 2,3,5-trisubstituted thiophenes" "Enzyme Inhibitors; Intraocular Pressure, drug effects; Antihypertensive Agents; Amides; Cardiovascular Agents; Sulfones; Cytochrome P-450 Substrates; Antiglaucoma Preparations and Miotics; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2E1 Substrates; Diuretics; Carbonic Anhydrase Inhibitors; Ophthalmologicals; Cytochrome P-450 CYP2C9 Substrates; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Sensory Organs" CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O 11213 46506754 D07871 PA164748765 DAP000775 Dorzolamide CHEMBL218490 60207 DB00871 Terbutaline BE0001012 ADRB3 P13945 ADRB3_HUMAN agonist 14730417; 16648137 "Hoffmann C, Leitz MR, Oberdorf-Maass S, Lohse MJ, Klotz KN: Comparative pharmacology of human beta-adrenergic receptor subtypes--characterization of stably transfected receptors in CHO cells. Naunyn Schmiedebergs Arch Pharmacol. 2004 Feb;369(2):151-9. Epub 2004 Jan 17.@@Behr B, Hoffmann C, Ottolina G, Klotz KN: Novel mutants of the human beta1-adrenergic receptor reveal amino acids relevant for receptor activation. J Biol Chem. 2006 Jun 30;281(26):18120-5. Epub 2006 Apr 28." Approved Resorcinols Organic compounds; Benzenoids; Phenols; Benzenediols "Adrenergic beta-Agonists; Selective Beta 2-adrenergic Agonists; QTc Prolonging Agents; Amines; Adrenergics for Systemic Use; Anti-Asthmatic Agents; Agents producing tachycardia; Tocolytic Agents; Autonomic Agents; OCT2 Substrates; Amino Alcohols; Agents to Treat Airway Disease; Alcohols; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Potential QTc-Prolonging Agents; Adrenergic Agonists; Adrenergics, Inhalants; Sympathomimetics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Cholinesterase Inhibitors; Adrenergic beta-2 Receptor Agonists; Neurotransmitter Agents; Ethanolamines; Adrenergic Agents; Reproductive Control Agents" CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1 2345 46506887 PA451616 DAP000246 Terbutaline CHEMBL1760 10368 DB00872 Conivaptan BE0000165 AVPR1A P37288 V1AR_HUMAN antagonist 11752352; 17919259; 17202666; 17592003; 19695403; 16522696; 19057376; 20054444; 17428103; 19663609 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ali F, Raufi MA, Washington B, Ghali JK: Conivaptan: a dual vasopressin receptor v1a/v2 antagonist [corrected]. Cardiovasc Drug Rev. 2007 Fall;25(3):261-79.@@Wada K, Matsukawa U, Fujimori A, Arai Y, Sudoh K, Sasamata M, Miyata K: A novel vasopressin dual V1A/V2 receptor antagonist, conivaptan hydrochloride, improves hyponatremia in rats with syndrome of inappropriate secretion of antidiuretic hormone (SIADH). Biol Pharm Bull. 2007 Jan;30(1):91-5.@@Walter KA: Conivaptan: new treatment for hyponatremia. Am J Health Syst Pharm. 2007 Jul 1;64(13):1385-95.@@Mao ZL, Stalker D, Keirns J: Pharmacokinetics of conivaptan hydrochloride, a vasopressin V(1A)/V(2)-receptor antagonist, in patients with euvolemic or hypervolemic hyponatremia and with or without congestive heart failure from a prospective, 4-day open-label study. Clin Ther. 2009 Jul;31(7):1542-50. doi: 10.1016/j.clinthera.2009.07.011.@@Ghali JK, Koren MJ, Taylor JR, Brooks-Asplund E, Fan K, Long WA, Smith N: Efficacy and safety of oral conivaptan: a V1A/V2 vasopressin receptor antagonist, assessed in a randomized, placebo-controlled trial in patients with euvolemic or hypervolemic hyponatremia. J Clin Endocrinol Metab. 2006 Jun;91(6):2145-52. Epub 2006 Mar 7.@@Annane D, Decaux G, Smith N: Efficacy and safety of oral conivaptan, a vasopressin-receptor antagonist, evaluated in a randomized, controlled trial in patients with euvolemic or hypervolemic hyponatremia. Am J Med Sci. 2009 Jan;337(1):28-36. doi: 10.1097/MAJ.0b013e31817b8148.@@Ghali JK, Farah JO, Daifallah S, Zabalawi HA, Zmily HD: Conivaptan and its role in the treatment of hyponatremia. Drug Des Devel Ther. 2009 Dec 29;3:253-68.@@Ali F, Guglin M, Vaitkevicius P, Ghali JK: Therapeutic potential of vasopressin receptor antagonists. Drugs. 2007;67(6):847-58.@@Hoque MZ, Arumugham P, Huda N, Verma N, Afiniwala M, Karia DH: Conivaptan: promise of treatment in heart failure. Expert Opin Pharmacother. 2009 Sep;10(13):2161-9. doi: 10.1517/14656560903173237." Approved; Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "Hypotensive Agents; Natriuretic Agents; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Diuretics; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Narrow Therapeutic Index Drugs; Antidiuretic Hormone Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Inhibitors" CC1=NC2=C(CCN(C(=O)C3=CC=C(NC(=O)C4=CC=CC=C4C4=CC=CC=C4)C=C3)C3=CC=CC=C23)N1 46504533 D07748 PA164742939 DNC001525 Conivaptan CHEMBL1755 302285 DB14596 Loteprednol etabonate BE0000794 NR3C1 P04150 GCR_HUMAN agonist 2004037; 17020532; 12861354; 15684812; 11752352 "Druzgala P, Hochhaus G, Bodor N: Soft drugs--10. Blanching activity and receptor binding affinity of a new type of glucocorticoid: loteprednol etabonate. J Steroid Biochem Mol Biol. 1991 Feb;38(2):149-54.@@Bodor N, Buchwald P: Corticosteroid design for the treatment of asthma: structural insights and the therapeutic potential of soft corticosteroids. Curr Pharm Des. 2006;12(25):3241-60.@@Szelenyi I, Hochhaus G, Heer S, Kusters S, Marx D, Poppe H, Engel J: Loteprednol etabonate: a soft steroid for the treatment of allergic diseases of the airways. Drugs Today (Barc). 2000 May;36(5):313-20.@@Samudre SS, Lattanzio FA Jr, Williams PB, Sheppard JD Jr: Comparison of topical steroids for acute anterior uveitis. J Ocul Pharmacol Ther. 2004 Dec;20(6):533-47.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters Fused-Ring Compounds; Androstadienes; Anti-Allergic Agents; Corticosteroids; Immunosuppressive Agents; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Steroids; Androstenes [H][C@@]12CC[C@](OC(=O)OCC)(C(=O)OCCl)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 20429 46504713 D01689 PA164764569 DAP001045 Loteprednol CHEMBL1200865 DB00875 Flupentixol BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 24915451 "Mahapatra J, Quraishi SN, David A, Sampson S, Adams CE: Flupenthixol decanoate (depot) for schizophrenia or other similar psychotic disorders. Cochrane Database Syst Rev. 2014 Jun 10;(6):CD001470. doi: 10.1002/14651858.CD001470.pub2." Approved; Investigational; Withdrawn Thioxanthenes Organic compounds; Organoheterocyclic compounds; Benzothiopyrans; 1-benzothiopyrans "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents" [H]\C(CCN1CCN(CCO)CC1)=C1/C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F 2170 46507816 D01044 PA10268 DAP000026 Flupentixol CHEMBL54661 4495 DB00875 Flupentixol BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 24915451 "Mahapatra J, Quraishi SN, David A, Sampson S, Adams CE: Flupenthixol decanoate (depot) for schizophrenia or other similar psychotic disorders. Cochrane Database Syst Rev. 2014 Jun 10;(6):CD001470. doi: 10.1002/14651858.CD001470.pub2." Approved; Investigational; Withdrawn Thioxanthenes Organic compounds; Organoheterocyclic compounds; Benzothiopyrans; 1-benzothiopyrans "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents" [H]\C(CCN1CCN(CCO)CC1)=C1/C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F 2170 46507816 D01044 PA10268 DAP000026 Flupentixol CHEMBL54661 4495 DB00877 Sirolimus BE0002386 MTOR P42345 MTOR_HUMAN inhibitor 20005306; 19620795; 12742462; 11752352; 15365568; 33141044 "Dowling RJ, Topisirovic I, Fonseca BD, Sonenberg N: Dissecting the role of mTOR: lessons from mTOR inhibitors. Biochim Biophys Acta. 2010 Mar;1804(3):433-9. doi: 10.1016/j.bbapap.2009.12.001. Epub 2009 Dec 11.@@Shuuin T, Karashima H: [Mammalian target of rapamycin, its mode of action and clinical response in metastatic clear cell carcinoma]. Gan To Kagaku Ryoho. 2009 Jul;36(7):1076-9.@@Sehgal SN: Sirolimus: its discovery, biological properties, and mechanism of action. Transplant Proc. 2003 May;35(3 Suppl):7S-14S.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Chan S: Targeting the mammalian target of rapamycin (mTOR): a new approach to treating cancer. Br J Cancer. 2004 Oct 18;91(8):1420-4.@@Ozates NP, Sogutlu F, Lerminoglu F, Demir B, Gunduz C, Shademan B, Avci CB: Effects of rapamycin and AZD3463 combination on apoptosis, autophagy, and cell cycle for resistance control in breast cancer. Life Sci. 2021 Jan 1;264:118643. doi: 10.1016/j.lfs.2020.118643. Epub 2020 Oct 24." Approved; Investigational Macrolide lactams Organic compounds; Phenylpropanoids and polyketides; Macrolide lactams "OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; Agents causing angioedema; Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Mammalian target of rapamycin (mTOR) kinase inhibitors; Protein Kinase Inhibitors; Sirolimus and Prodrugs; Immunotherapy; Cytochrome P-450 Substrates; Antifungal Agents; Immunologic Factors; mTOR Inhibitor Immunosuppressant; Decreased Immunologic Activity; Macrolides; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Selective Immunosuppressants; Lactones; Polyketides; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; mTOR Inhibitors; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Ophthalmologicals; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Sensory Organs" [H][C@@]1(C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](O)[C@@H](C1)OC 12064 46505675 D00753 PA451365 DNC001197 Sirolimus CHEMBL413 35302 DB00880 Chlorothiazide BE0000419 SLC12A3 P55017 S12A3_HUMAN inhibitor Approved; Vet_approved "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "Antihypertensive Agents; Hyperglycemia-Associated Agents; OAT1/SLC22A6 inhibitors; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides" NS(=O)(=O)C1=C(Cl)C=C2NC=NS(=O)(=O)C2=C1 Chlorothiazide Action Pathway drug_action 10203 46507032 D00519 PA448953 DAP000605 Chlorothiazide CHEMBL842 2396 DB00880 Chlorothiazide BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 14656370; 10954127; 12388412; 11752352 "Weiner ID, Verlander JW: Renal and hepatic expression of the ammonium transporter proteins, Rh B Glycoprotein and Rh C Glycoprotein. Acta Physiol Scand. 2003 Dec;179(4):331-8.@@Puscas I, Coltau M, Baican M, Pasca R, Domuta G: The inhibitory effect of diuretics on carbonic anhydrases. Res Commun Mol Pathol Pharmacol. 1999;105(3):213-36.@@Verlander JW, Miller RT, Frank AE, Royaux IE, Kim YH, Weiner ID: Localization of the ammonium transporter proteins RhBG and RhCG in mouse kidney. Am J Physiol Renal Physiol. 2003 Feb;284(2):F323-37. Epub 2002 Oct 8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Vet_approved "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "Antihypertensive Agents; Hyperglycemia-Associated Agents; OAT1/SLC22A6 inhibitors; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides" NS(=O)(=O)C1=C(Cl)C=C2NC=NS(=O)(=O)C2=C1 Chlorothiazide Action Pathway drug_action 10203 46507032 D00519 PA448953 DAP000605 Chlorothiazide CHEMBL842 2396 DB00882 Clomifene BE0000123 ESR1 P03372 ESR1_HUMAN antagonist 2011412; 20379036; 20091498; 19821295; 17055820; 19761360; 18320435; 15878925; 11752352 "Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Kurosawa T, Hiroi H, Momoeda M, Inoue S, Taketani Y: Clomiphene citrate elicits estrogen agonistic/antagonistic effects differentially via estrogen receptors alpha and beta. Endocr J. 2010;57(6):517-21. Epub 2010 Apr 6.@@Hughes E, Brown J, Collins JJ, Vanderkerchove P: Clomiphene citrate for unexplained subfertility in women. Cochrane Database Syst Rev. 2010 Jan 20;(1):CD000057. doi: 10.1002/14651858.CD000057.pub2.@@Brown J, Farquhar C, Beck J, Boothroyd C, Hughes E: Clomiphene and anti-oestrogens for ovulation induction in PCOS. Cochrane Database Syst Rev. 2009 Oct 7;(4):CD002249. doi: 10.1002/14651858.CD002249.pub4.@@Authors unspecified: Use of clomiphene citrate in women. Fertil Steril. 2006 Nov;86(5 Suppl 1):S187-93.@@Overbeek A, Lambalk N: Pharmacogenomics of ovulation induction: facilitating decisions on who, when and how to treat. Pharmacogenomics. 2009 Sep;10(9):1377-9. doi: 10.2217/pgs.09.110.@@Homburg R: Oral agents for ovulation induction--clomiphene citrate versus aromatase inhibitors. Hum Fertil (Camb). 2008 Mar;11(1):17-22. doi: 10.1080/14647270701689670.@@Homburg R: Clomiphene citrate--end of an era? A mini-review. Hum Reprod. 2005 Aug;20(8):2043-51. Epub 2005 May 5.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Fertility Agents, Female; Stilbenes; Benzylidene Compounds; Estrogen Agonist/Antagonist; Hormone Antagonists; Benzene Derivatives; Ovulation Stimulants, Synthetic; Estrogen Receptor Modulators; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Estrogen Antagonists; Fertility Agents; Selective Estrogen Receptor Modulators; Clomiphene; Estrogen Agonist-antagonists; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1 9785 46504463 D07726 PA449046 DAP001013 Clomifene CHEMBL2355051 2596 DB00882 Clomifene BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Approved; Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Fertility Agents, Female; Stilbenes; Benzylidene Compounds; Estrogen Agonist/Antagonist; Hormone Antagonists; Benzene Derivatives; Ovulation Stimulants, Synthetic; Estrogen Receptor Modulators; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Estrogen Antagonists; Fertility Agents; Selective Estrogen Receptor Modulators; Clomiphene; Estrogen Agonist-antagonists; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1 9785 46504463 D07726 PA449046 DAP001013 Clomifene CHEMBL2355051 2596 DB00884 Risedronic acid BE0000776 FDPS P14324 FPPS_HUMAN inhibitor 10620343; 11752352; 16006204; 11160603; 16835450; 18056045 "Bergstrom JD, Bostedor RG, Masarachia PJ, Reszka AA, Rodan G: Alendronate is a specific, nanomolar inhibitor of farnesyl diphosphate synthase. Arch Biochem Biophys. 2000 Jan 1;373(1):231-41.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Coxon FP, Ebetino FH, Mules EH, Seabra MC, McKenna CE, Rogers MJ: Phosphonocarboxylate inhibitors of Rab geranylgeranyl transferase disrupt the prenylation and membrane localization of Rab proteins in osteoclasts in vitro and in vivo. Bone. 2005 Sep;37(3):349-58.@@Dunford JE, Thompson K, Coxon FP, Luckman SP, Hahn FM, Poulter CD, Ebetino FH, Rogers MJ: Structure-activity relationships for inhibition of farnesyl diphosphate synthase in vitro and inhibition of bone resorption in vivo by nitrogen-containing bisphosphonates. J Pharmacol Exp Ther. 2001 Feb;296(2):235-42.@@Ortiz-Gomez A, Jimenez C, Estevez AM, Carrero-Lerida J, Ruiz-Perez LM, Gonzalez-Pacanowska D: Farnesyl diphosphate synthase is a cytosolic enzyme in Leishmania major promastigotes and its overexpression confers resistance to risedronate. Eukaryot Cell. 2006 Jul;5(7):1057-64.@@Russell RG, Xia Z, Dunford JE, Oppermann U, Kwaasi A, Hulley PA, Kavanagh KL, Triffitt JT, Lundy MW, Phipps RJ, Barnett BL, Coxon FP, Rogers MJ, Watts NB, Ebetino FH: Bisphosphonates: an update on mechanisms of action and how these relate to clinical efficacy. Ann N Y Acad Sci. 2007 Nov;1117:209-57." Approved; Investigational Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates Agents Causing Muscle Toxicity; Cardiovascular Agents; Organophosphonates; Musculo-Skeletal System; Organophosphorus Compounds; Calcium-Regulating Hormones and Agents; Bone Density Conservation Agents; Pyridines; Bisphosphonates; Drugs Affecting Bone Structure and Mineralization; Membrane Transport Modulators; Drugs for Treatment of Bone Diseases OC(CC1=CN=CC=C1)(P(O)(O)=O)P(O)(O)=O Risedronate Action Pathway drug_action 11819 46507526 D08484 PA451255 DAP000658 Risedronic_acid CHEMBL923 55685 DB00886 Omapatrilat BE0000266 MME P08473 NEP_HUMAN 10856267; 10856268; 10933361; 11040230; 11041166 "Intengan HD, Schiffrin EL: Vasopeptidase inhibition has potent effects on blood pressure and resistance arteries in stroke-prone spontaneously hypertensive rats. Hypertension. 2000 Jun;35(6):1221-5.@@Azizi M, Massien C, Michaud A, Corvol P: In vitro and in vivo inhibition of the 2 active sites of ACE by omapatrilat, a vasopeptidase inhibitor. Hypertension. 2000 Jun;35(6):1226-31.@@McClean DR, Ikram H, Garlick AH, Richards AM, Nicholls MG, Crozier IG: The clinical, cardiac, renal, arterial and neurohormonal effects of omapatrilat, a vasopeptidase inhibitor, in patients with chronic heart failure. J Am Coll Cardiol. 2000 Aug;36(2):479-86.@@Troughton RW, Rademaker MT, Powell JD, Yandle TG, Espiner EA, Frampton CM, Nicholls MG, Richards AM: Beneficial renal and hemodynamic effects of omapatrilat in mild and severe heart failure. Hypertension. 2000 Oct;36(4):523-30.@@Burrell LM, Droogh J, Man in't Veld O, Rockell MD, Farina NK, Johnston CI: Antihypertensive and antihypertrophic effects of omapatrilat in SHR. Am J Hypertens. 2000 Oct;13(10):1110-6." Investigational Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Cardiovascular Agents; Thiepins; Vasopeptidase Inhibitors; Enzyme Inhibitors; Agents causing hyperkalemia; Agents causing angioedema; Antihypertensive Agents; Sulfur Compounds; Agents that produce hypertension; Angiotensin-Converting Enzyme Inhibitors; Metalloendopeptidases, antagonists & inhibitors; Azepines" [H][C@]12CCC[C@H](N1C(=O)[C@H](CCS2)NC(=O)[C@@H](S)CC1=CC=CC=C1)C(O)=O 175426852 D01970 Omapatrilat CHEMBL289556 DB00887 Bumetanide BE0000281 SLC12A2 P55011 S12A2_HUMAN inhibitor 10567922; 10831596; 11292635; 11443057; 11698253 "Panet R, Marcus M, Atlan H: Overexpression of the Na(+)/K(+)/Cl(-) cotransporter gene induces cell proliferation and phenotypic transformation in mouse fibroblasts. J Cell Physiol. 2000 Jan;182(1):109-18.@@Evans RL, Park K, Turner RJ, Watson GE, Nguyen HV, Dennett MR, Hand AR, Flagella M, Shull GE, Melvin JE: Severe impairment of salivation in Na+/K+/2Cl- cotransporter (NKCC1)-deficient mice. J Biol Chem. 2000 Sep 1;275(35):26720-6.@@Wall SM, Fischer MP, Mehta P, Hassell KA, Park SJ: Contribution of the Na+-K+-2Cl- cotransporter NKCC1 to Cl- secretion in rat OMCD. Am J Physiol Renal Physiol. 2001 May;280(5):F913-21.@@Akar F, Jiang G, Paul RJ, O'Neill WC: Contractile regulation of the Na(+)-K(+)-2Cl(-) cotransporter in vascular smooth muscle. Am J Physiol Cell Physiol. 2001 Aug;281(2):C579-84.@@Jiang G, Klein JD, O'Neill WC: Growth factors stimulate the Na-K-2Cl cotransporter NKCC1 through a novel Cl(-)-dependent mechanism. Am J Physiol Cell Physiol. 2001 Dec;281(6):C1948-53." Approved Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers "OAT3/SLC22A8 Substrates; Hyperglycemia-Associated Agents; Nephrotoxic agents; Amides; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Benzoates; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Increased Diuresis at Loop of Henle; Sulfonamides; Membrane Transport Modulators; Aminobenzoates; Agents Causing Muscle Toxicity; High-Ceiling Diuretics; Acids, Carbocyclic; Diuretics; Drugs causing inadvertant photosensitivity; Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; OAT3/SLC22A8 Inhibitors; High-Ceiling Diuretics and Potassium-Sparing Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; meta-Aminobenzoates" CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O Bumetanide Action Pathway drug_action 1374 46508147 D00247 PA448682 DAP000361 Bumetanide CHEMBL1072 1808 DB00887 Bumetanide BE0000601 SLC12A4 Q9UP95 S12A4_HUMAN inhibitor 16807348; 10793196 "Jean-Xavier C, Pflieger JF, Liabeuf S, Vinay L: Inhibitory postsynaptic potentials in lumbar motoneurons remain depolarizing after neonatal spinal cord transection in the rat. J Neurophysiol. 2006 Nov;96(5):2274-81. Epub 2006 Jun 28.@@Reid KH, Guo SZ, Iyer VG: Agents which block potassium-chloride cotransport prevent sound-triggered seizures in post-ischemic audiogenic seizure-prone rats. Brain Res. 2000 May 2;864(1):134-7." Approved Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers "OAT3/SLC22A8 Substrates; Hyperglycemia-Associated Agents; Nephrotoxic agents; Amides; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Benzoates; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Increased Diuresis at Loop of Henle; Sulfonamides; Membrane Transport Modulators; Aminobenzoates; Agents Causing Muscle Toxicity; High-Ceiling Diuretics; Acids, Carbocyclic; Diuretics; Drugs causing inadvertant photosensitivity; Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; OAT3/SLC22A8 Inhibitors; High-Ceiling Diuretics and Potassium-Sparing Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; meta-Aminobenzoates" CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O Bumetanide Action Pathway drug_action 1374 46508147 D00247 PA448682 DAP000361 Bumetanide CHEMBL1072 1808 DB00887 Bumetanide BE0000047 SLC12A5 Q9H2X9 S12A5_HUMAN inhibitor 10793196 "Reid KH, Guo SZ, Iyer VG: Agents which block potassium-chloride cotransport prevent sound-triggered seizures in post-ischemic audiogenic seizure-prone rats. Brain Res. 2000 May 2;864(1):134-7." Approved Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers "OAT3/SLC22A8 Substrates; Hyperglycemia-Associated Agents; Nephrotoxic agents; Amides; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Benzoates; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Increased Diuresis at Loop of Henle; Sulfonamides; Membrane Transport Modulators; Aminobenzoates; Agents Causing Muscle Toxicity; High-Ceiling Diuretics; Acids, Carbocyclic; Diuretics; Drugs causing inadvertant photosensitivity; Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; OAT3/SLC22A8 Inhibitors; High-Ceiling Diuretics and Potassium-Sparing Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; meta-Aminobenzoates" CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O Bumetanide Action Pathway drug_action 1374 46508147 D00247 PA448682 DAP000361 Bumetanide CHEMBL1072 1808 DB00887 Bumetanide BE0001195 CFTR P13569 CFTR_HUMAN antagonist 9886939 "Reddy MM, Quinton PM: Bumetanide blocks CFTR GCl in the native sweat duct. Am J Physiol. 1999 Jan;276(1 Pt 1):C231-7." Approved Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers "OAT3/SLC22A8 Substrates; Hyperglycemia-Associated Agents; Nephrotoxic agents; Amides; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Benzoates; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Increased Diuresis at Loop of Henle; Sulfonamides; Membrane Transport Modulators; Aminobenzoates; Agents Causing Muscle Toxicity; High-Ceiling Diuretics; Acids, Carbocyclic; Diuretics; Drugs causing inadvertant photosensitivity; Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; OAT3/SLC22A8 Inhibitors; High-Ceiling Diuretics and Potassium-Sparing Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; meta-Aminobenzoates" CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O Bumetanide Action Pathway drug_action 1374 46508147 D00247 PA448682 DAP000361 Bumetanide CHEMBL1072 1808 DB00890 Dienestrol BE0000123 ESR1 P03372 ESR1_HUMAN agonist 3334987; 3622377; 9048584; 9558716; 15276617; 18976723; 11752352 "Juriansz RL, Huseby RA, Wilcox RB: Interactions of putative estrogens with the intracellular receptor complex in mouse Leydig cells: relationship to preneoplastic hyperplasia. Cancer Res. 1988 Jan 1;48(1):14-8.@@Grove RI, Korach KS: Estrogen stimulation of phosphatidylinositol metabolism in mouse uterine tissue. Endocrinology. 1987 Sep;121(3):1083-8.@@Kuiper GG, Carlsson B, Grandien K, Enmark E, Haggblad J, Nilsson S, Gustafsson JA: Comparison of the ligand binding specificity and transcript tissue distribution of estrogen receptors alpha and beta. Endocrinology. 1997 Mar;138(3):863-70.@@Chae K, Lindzey J, McLachlan JA, Korach KS: Estrogen-dependent gene regulation by an oxidative metabolite of diethylstilbestrol, diethylstilbestrol-4',4""-quinone. Steroids. 1998 Mar;63(3):149-57.@@Bovee TF, Helsdingen RJ, Rietjens IM, Keijer J, Hoogenboom RL: Rapid yeast estrogen bioassays stably expressing human estrogen receptors alpha and beta, and green fluorescent protein: a comparison of different compounds with both receptor types. J Steroid Biochem Mol Biol. 2004 Jul;91(3):99-109.@@Maru BS, Tobias JH, Rivers C, Caunt CJ, Norman MR, McArdle CA: Potential use of an estrogen-glucocorticoid receptor chimera as a drug screen for tissue selective estrogenic activity. Bone. 2009 Jan;44(1):102-12. doi: 10.1016/j.bone.2008.09.016. Epub 2008 Oct 11.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational "Estrogens, Non-Steroidal; Stilbenes; Stilbestrols; Phenols; Estrogens; Benzylidene Compounds; Benzyl Compounds; Hormones; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Benzene Derivatives; Dihydrostilbenoids; Synthetic Estrogens, Plain; Bibenzyls; Hormones, Hormone Substitutes, and Hormone Antagonists" [H]\C(C)=C(/C(=C(\[H])C)/C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1 7377 46504661 D00898 PA164745534 DAP001015 Dienestrol CHEMBL1018 3368 DB00890 Dienestrol BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Approved; Investigational "Estrogens, Non-Steroidal; Stilbenes; Stilbestrols; Phenols; Estrogens; Benzylidene Compounds; Benzyl Compounds; Hormones; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Benzene Derivatives; Dihydrostilbenoids; Synthetic Estrogens, Plain; Bibenzyls; Hormones, Hormone Substitutes, and Hormone Antagonists" [H]\C(C)=C(/C(=C(\[H])C)/C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1 7377 46504661 D00898 PA164745534 DAP001015 Dienestrol CHEMBL1018 3368 DB00894 Testolactone BE0002090 CYP19A1 P11511 CP19A_HUMAN inhibitor 11752352; 11792932; 9521275; 16766117; 16190763 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Raman JD, Schlegel PN: Aromatase inhibitors for male infertility. J Urol. 2002 Feb;167(2 Pt 1):624-9.@@Herzog AG, Klein P, Jacobs AR: Testosterone versus testosterone and testolactone in treating reproductive and sexual dysfunction in men with epilepsy and hypogonadism. Neurology. 1998 Mar;50(3):782-4.@@Dunkel L: Use of aromatase inhibitors to increase final height. Mol Cell Endocrinol. 2006 Jul 25;254-255:207-16.@@Cepa MM, Tavares da Silva EJ, Correia-da-Silva G, Roleira FM, Teixeira NA: Structure-activity relationships of new A,D-ring modified steroids as aromatase inhibitors: design, synthesis, and biological activity evaluation. J Med Chem. 2005 Oct 6;48(20):6379-85." Approved; Investigational Naphthopyrans Organic compounds; Organoheterocyclic compounds; Naphthopyrans "Fused-Ring Compounds; Androstadienes; Steroids; Aromatase Inhibitors; Antineoplastic Agents, Hormonal; Androstanes; Drugs that are Mainly Renally Excreted; Homosteroids; Androstenes; Antineoplastic Agents" [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H] 46508076 D00153 PA164743056 DAP000624 Testolactone CHEMBL1571 10378 DB00895 Benzylpenicilloyl polylysine BE0000015 FCER1A P12319 FCERA_HUMAN agonist 17139284; 17016423; 7436456; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chandra RK, Joglekar SA, Tomas E: Penicillin allergy: anti-penicillin IgE antibodies and immediate hypersensitivity skin reactions employing major and minor determinants of penicillin. Arch Dis Child. 1980 Nov;55(11):857-60.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved N-acyl-alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "beta-Lactams; Drug Hypersensitivity; Acetamides; Heterocyclic Compounds, Fused-Ring; Lactams; Anti-Bacterial Agents; Antibacterials for Systemic Use; Sulfur Compounds; Amides; Penicillins; Benzene Derivatives; Antiinfectives for Systemic Use" 8362 46505002 PA164754810 DAP001314 Benzylpenicilloyl_polylysine CHEMBL1201779 19079 DB00896 Rimexolone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 2386110 "Hochhaus G, Moellmann HW: Binding affinities of rimexolone (ORG 6216), flunisolide and their putative metabolites for the glucocorticoid receptor of human synovial tissue. Agents Actions. 1990 Jun;30(3-4):377-80." Approved 20-oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers; Steroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H](C)[C@](C)(C(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 187 46504820 D05729 PA164752251 DAP000420 Rimexolone CHEMBL1200617 55681 DB00897 Triazolam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved; Investigational "1,2,4-triazolo[4,3-a][1,4]benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Inhibitors; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Drugs that are Mainly Renally Excreted; Psycholeptics; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Triazolobenzodiazepines; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Adjuvants, Anesthesia; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates" CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N12 2117 46509147 D00387 PA451753 DAP000244 Triazolam CHEMBL646 10767 DB00898 Ethanol BE0000795 GABRA1 P14867 GBRA1_HUMAN agonist 17139284; 17016423; 17591544; 11752352; 21262851; 12921221 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Santhakumar V, Wallner M, Otis TS: Ethanol acts directly on extrasynaptic subtypes of GABAA receptors to increase tonic inhibition. Alcohol. 2007 May;41(3):211-21.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Earl DE, Tietz EI: Inhibition of recombinant L-type voltage-gated calcium channels by positive allosteric modulators of GABAA receptors. J Pharmacol Exp Ther. 2011 Apr;337(1):301-11. doi: 10.1124/jpet.110.178244. Epub 2011 Jan 24.@@Davies M: The role of GABAA receptors in mediating the effects of alcohol in the central nervous system. J Psychiatry Neurosci. 2003 Jul;28(4):263-74." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0000641 GRIN3A Q8TCU5 NMD3A_HUMAN antagonist 17139284; 17016423; 21289476; 21204417; 21204407; 21163614 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wang J, Lanfranco MF, Gibb SL, Ron D: Ethanol-mediated long-lasting adaptations of the NR2B-containing NMDA receptors in the dorsomedial striatum. Channels (Austin). 2011 May-Jun;5(3):205-9. Epub 2011 May 1.@@Ron D, Wang J: The NMDA Receptor and Alcohol Addiction .@@Williams K: Extracellular Modulation of NMDA Receptors .@@Xu M, Smothers CT, Woodward JJ: Effects of ethanol on phosphorylation site mutants of recombinant N-methyl-D-aspartate receptors. Alcohol. 2011 Jun;45(4):373-80. doi: 10.1016/j.alcohol.2010.08.015. Epub 2010 Dec 15." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0000433 GLRA1 P23415 GLRA1_HUMAN agonist 17139284; 17016423; 21044637; 20713066; 9452448 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Fuentealba J, Munoz B, Yevenes G, Moraga-Cid G, Perez C, Guzman L, Rigo JM, Aguayo LG: Potentiation and inhibition of glycine receptors by tutin. Neuropharmacology. 2011 Feb-Mar;60(2-3):453-9. doi: 10.1016/j.neuropharm.2010.10.023. Epub 2010 Oct 31.@@Baenziger JE, Corringer PJ: 3D structure and allosteric modulation of the transmembrane domain of pentameric ligand-gated ion channels. Neuropharmacology. 2011 Jan;60(1):116-25. doi: 10.1016/j.neuropharm.2010.08.007. Epub 2010 Aug 14.@@Ye Q, Koltchine VV, Mihic SJ, Mascia MP, Wick MJ, Finn SE, Harrison NL, Harris RA: Enhancement of glycine receptor function by ethanol is inversely correlated with molecular volume at position alpha267. J Biol Chem. 1998 Feb 6;273(6):3314-9." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0000745 GLRA2 P23416 GLRA2_HUMAN agonist 17139284; 17016423; 9452448; 20713066 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Ye Q, Koltchine VV, Mihic SJ, Mascia MP, Wick MJ, Finn SE, Harrison NL, Harris RA: Enhancement of glycine receptor function by ethanol is inversely correlated with molecular volume at position alpha267. J Biol Chem. 1998 Feb 6;273(6):3314-9.@@Baenziger JE, Corringer PJ: 3D structure and allosteric modulation of the transmembrane domain of pentameric ligand-gated ion channels. Neuropharmacology. 2011 Jan;60(1):116-25. doi: 10.1016/j.neuropharm.2010.08.007. Epub 2010 Aug 14." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0000381 GABRA2 P47869 GBRA2_HUMAN 17591544; 12921221 "Santhakumar V, Wallner M, Otis TS: Ethanol acts directly on extrasynaptic subtypes of GABAA receptors to increase tonic inhibition. Alcohol. 2007 May;41(3):211-21.@@Davies M: The role of GABAA receptors in mediating the effects of alcohol in the central nervous system. J Psychiatry Neurosci. 2003 Jul;28(4):263-74." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0000430 CACNA1C Q13936 CAC1C_HUMAN 12970385 "Hendricson AW, Thomas MP, Lippmann MJ, Morrisett RA: Suppression of L-type voltage-gated calcium channel-dependent synaptic plasticity by ethanol: analysis of miniature synaptic currents and dendritic calcium transients. J Pharmacol Exp Ther. 2003 Nov;307(2):550-8. Epub 2003 Sep 11." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0000640 GRIA1 P42261 GRIA1_HUMAN 19270242 "Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0000679 CACNG1 Q06432 CCG1_HUMAN 12970385 "Hendricson AW, Thomas MP, Lippmann MJ, Morrisett RA: Suppression of L-type voltage-gated calcium channel-dependent synaptic plasticity by ethanol: analysis of miniature synaptic currents and dendritic calcium transients. J Pharmacol Exp Ther. 2003 Nov;307(2):550-8. Epub 2003 Sep 11." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0000829 GRIA2 P42262 GRIA2_HUMAN 19270242 "Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0000831 GRIA3 P42263 GRIA3_HUMAN 19270242 "Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0000849 CHRNA4 P43681 ACHA4_HUMAN 23641218; 19270242 "Hendrickson LM, Guildford MJ, Tapper AR: Neuronal nicotinic acetylcholine receptors: common molecular substrates of nicotine and alcohol dependence. Front Psychiatry. 2013 Apr 30;4:29. doi: 10.3389/fpsyt.2013.00029. eCollection 2013.@@Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0001028 KCNJ3 P48549 KCNJ3_HUMAN 19342616; 24145411 "Spanagel R: Alcoholism: a systems approach from molecular physiology to addictive behavior. Physiol Rev. 2009 Apr;89(2):649-705. doi: 10.1152/physrev.00013.2008.@@Bodhinathan K, Slesinger PA: Molecular mechanism underlying ethanol activation of G-protein-gated inwardly rectifying potassium channels. Proc Natl Acad Sci U S A. 2013 Nov 5;110(45):18309-14. doi: 10.1073/pnas.1311406110. Epub 2013 Oct 21." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0001030 KCNJ6 P48051 KCNJ6_HUMAN 19342616; 24145411 "Spanagel R: Alcoholism: a systems approach from molecular physiology to addictive behavior. Physiol Rev. 2009 Apr;89(2):649-705. doi: 10.1152/physrev.00013.2008.@@Bodhinathan K, Slesinger PA: Molecular mechanism underlying ethanol activation of G-protein-gated inwardly rectifying potassium channels. Proc Natl Acad Sci U S A. 2013 Nov 5;110(45):18309-14. doi: 10.1073/pnas.1311406110. Epub 2013 Oct 21." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0002218 KCNJ5 P48544 KCNJ5_HUMAN 19342616; 24145411 "Spanagel R: Alcoholism: a systems approach from molecular physiology to addictive behavior. Physiol Rev. 2009 Apr;89(2):649-705. doi: 10.1152/physrev.00013.2008.@@Bodhinathan K, Slesinger PA: Molecular mechanism underlying ethanol activation of G-protein-gated inwardly rectifying potassium channels. Proc Natl Acad Sci U S A. 2013 Nov 5;110(45):18309-14. doi: 10.1073/pnas.1311406110. Epub 2013 Oct 21." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0002343 CHRNA9 Q9UGM1 ACHA9_HUMAN 23641218; 19270242 "Hendrickson LM, Guildford MJ, Tapper AR: Neuronal nicotinic acetylcholine receptors: common molecular substrates of nicotine and alcohol dependence. Front Psychiatry. 2013 Apr 30;4:29. doi: 10.3389/fpsyt.2013.00029. eCollection 2013.@@Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0002344 GABRB1 P18505 GBRB1_HUMAN 17591544; 12921221 "Santhakumar V, Wallner M, Otis TS: Ethanol acts directly on extrasynaptic subtypes of GABAA receptors to increase tonic inhibition. Alcohol. 2007 May;41(3):211-21.@@Davies M: The role of GABAA receptors in mediating the effects of alcohol in the central nervous system. J Psychiatry Neurosci. 2003 Jul;28(4):263-74." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0002345 GABRB3 P28472 GBRB3_HUMAN 17591544; 12921221 "Santhakumar V, Wallner M, Otis TS: Ethanol acts directly on extrasynaptic subtypes of GABAA receptors to increase tonic inhibition. Alcohol. 2007 May;41(3):211-21.@@Davies M: The role of GABAA receptors in mediating the effects of alcohol in the central nervous system. J Psychiatry Neurosci. 2003 Jul;28(4):263-74." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0002346 GABRB2 P47870 GBRB2_HUMAN 17591544; 12921221 "Santhakumar V, Wallner M, Otis TS: Ethanol acts directly on extrasynaptic subtypes of GABAA receptors to increase tonic inhibition. Alcohol. 2007 May;41(3):211-21.@@Davies M: The role of GABAA receptors in mediating the effects of alcohol in the central nervous system. J Psychiatry Neurosci. 2003 Jul;28(4):263-74." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0002355 CACNA1S Q13698 CAC1S_HUMAN 12970385 "Hendricson AW, Thomas MP, Lippmann MJ, Morrisett RA: Suppression of L-type voltage-gated calcium channel-dependent synaptic plasticity by ethanol: analysis of miniature synaptic currents and dendritic calcium transients. J Pharmacol Exp Ther. 2003 Nov;307(2):550-8. Epub 2003 Sep 11." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0002359 CACNA1D Q01668 CAC1D_HUMAN 12970385 "Hendricson AW, Thomas MP, Lippmann MJ, Morrisett RA: Suppression of L-type voltage-gated calcium channel-dependent synaptic plasticity by ethanol: analysis of miniature synaptic currents and dendritic calcium transients. J Pharmacol Exp Ther. 2003 Nov;307(2):550-8. Epub 2003 Sep 11." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0003585 CHRNA3 P32297 ACHA3_HUMAN 23641218; 19270242 "Hendrickson LM, Guildford MJ, Tapper AR: Neuronal nicotinic acetylcholine receptors: common molecular substrates of nicotine and alcohol dependence. Front Psychiatry. 2013 Apr 30;4:29. doi: 10.3389/fpsyt.2013.00029. eCollection 2013.@@Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0003586 CHRNA5 P30532 ACHA5_HUMAN 23641218; 19270242 "Hendrickson LM, Guildford MJ, Tapper AR: Neuronal nicotinic acetylcholine receptors: common molecular substrates of nicotine and alcohol dependence. Front Psychiatry. 2013 Apr 30;4:29. doi: 10.3389/fpsyt.2013.00029. eCollection 2013.@@Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0003587 CHRNA6 Q15825 ACHA6_HUMAN 23641218; 19270242 "Hendrickson LM, Guildford MJ, Tapper AR: Neuronal nicotinic acetylcholine receptors: common molecular substrates of nicotine and alcohol dependence. Front Psychiatry. 2013 Apr 30;4:29. doi: 10.3389/fpsyt.2013.00029. eCollection 2013.@@Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0003588 CHRNB3 Q05901 ACHB3_HUMAN 23641218; 19270242 "Hendrickson LM, Guildford MJ, Tapper AR: Neuronal nicotinic acetylcholine receptors: common molecular substrates of nicotine and alcohol dependence. Front Psychiatry. 2013 Apr 30;4:29. doi: 10.3389/fpsyt.2013.00029. eCollection 2013.@@Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0003594 GABRG3 Q99928 GBRG3_HUMAN 17591544; 12921221 "Santhakumar V, Wallner M, Otis TS: Ethanol acts directly on extrasynaptic subtypes of GABAA receptors to increase tonic inhibition. Alcohol. 2007 May;41(3):211-21.@@Davies M: The role of GABAA receptors in mediating the effects of alcohol in the central nervous system. J Psychiatry Neurosci. 2003 Jul;28(4):263-74." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0004706 SLC29A2 Q14542 S29A2_HUMAN 19298329 "Allen-Gipson DS, Jarrell JC, Bailey KL, Robinson JE, Kharbanda KK, Sisson JH, Wyatt TA: Ethanol blocks adenosine uptake via inhibiting the nucleoside transport system in bronchial epithelial cells. Alcohol Clin Exp Res. 2009 May;33(5):791-8. doi: 10.1111/j.1530-0277.2009.00897.x. Epub 2009 Mar 6." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0005108 CACNG2 Q9Y698 CCG2_HUMAN 12970385 "Hendricson AW, Thomas MP, Lippmann MJ, Morrisett RA: Suppression of L-type voltage-gated calcium channel-dependent synaptic plasticity by ethanol: analysis of miniature synaptic currents and dendritic calcium transients. J Pharmacol Exp Ther. 2003 Nov;307(2):550-8. Epub 2003 Sep 11." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0008999 L1CAM P32004 L1CAM_HUMAN 18165316 "Arevalo E, Shanmugasundararaj S, Wilkemeyer MF, Dou X, Chen S, Charness ME, Miller KW: An alcohol binding site on the neural cell adhesion molecule L1. Proc Natl Acad Sci U S A. 2008 Jan 8;105(1):371-5. doi: 10.1073/pnas.0707815105. Epub 2007 Dec 28." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00898 Ethanol BE0000522 ADH7 P40394 ADH7_HUMAN substrate 32965003 "Piccioni A, Tarli C, Cardone S, Brigida M, D'Addio S, Covino M, Zanza C, Merra G, Ojetti V, Gasbarrini A, Addolorato G, Franceschi F: Role of first aid in the management of acute alcohol intoxication: a narrative review. Eur Rev Med Pharmacol Sci. 2020 Sep;24(17):9121-9128. doi: 10.26355/eurrev_202009_22859." Approved Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents" CCO Disulfiram Action Pathway; Ethanol Degradation metabolic; drug_action 3438 46506969 D00068 PA448073 DAP000681 Ethanol CHEMBL545 448 DB00899 Remifentanil BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 16114980; 16332149; 8694317; 9066316; 11752352; 9103501; 8875131 "Scott LJ, Perry CM: Remifentanil: a review of its use during the induction and maintenance of general anaesthesia. Drugs. 2005;65(13):1793-823.@@Scott LJ, Perry CM: Spotlight on remifentanil for general anaesthesia. CNS Drugs. 2005;19(12):1069-74.@@Warner DS, Hindman BJ, Todd MM, Sawin PD, Kirchner J, Roland CL, Jamerson BD: Intracranial pressure and hemodynamic effects of remifentanil versus alfentanil in patients undergoing supratentorial craniotomy. Anesth Analg. 1996 Aug;83(2):348-53.@@Guy J, Hindman BJ, Baker KZ, Borel CO, Maktabi M, Ostapkovich N, Kirchner J, Todd MM, Fogarty-Mack P, Yancy V, Sokoll MD, McAllister A, Roland C, Young WL, Warner DS: Comparison of remifentanil and fentanyl in patients undergoing craniotomy for supratentorial space-occupying lesions. Anesthesiology. 1997 Mar;86(3):514-24.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Hoke JF, Cunningham F, James MK, Muir KT, Hoffman WE: Comparative pharmacokinetics and pharmacodynamics of remifentanil, its principle metabolite (GR90291) and alfentanil in dogs. J Pharmacol Exp Ther. 1997 Apr;281(1):226-32.@@Patel SS, Spencer CM: Remifentanil. Drugs. 1996 Sep;52(3):417-27; discussion 428." Approved Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Sensory System Agents; Anesthetics, General; Narcotics; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Phenylpiperidine opioids; Hypotensive Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Anesthetics; Opiate Agonists; Anesthetics, Intravenous; High-risk opioids; Opioid Agonist; Acids, Acyclic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Propionates; Opioids, Anilidopiperidine; Piperidines; Central Nervous System Agents; Fentanyl and fentanyl analogues; Bradycardia-Causing Agents; Nervous System; Opioid Anesthetics; Opioids" CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC(=O)OC)CC1)C(=O)OC Remifentanil Action Pathway drug_action 11311 46504538 D08473 PA451232 DAP000264 Remifentanil CHEMBL1005 73032 DB00899 Remifentanil BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 18815346; 15665994; 15828941; 15868528; 16372825; 16861092 "Stucke AG, Zuperku EJ, Sanchez A, Tonkovic-Capin M, Tonkovic-Capin V, Mustapic S, Stuth EA: Opioid receptors on bulbospinal respiratory neurons are not activated during neuronal depression by clinically relevant opioid concentrations. J Neurophysiol. 2008 Nov;100(5):2878-88. doi: 10.1152/jn.90620.2008. Epub 2008 Sep 24.@@Rodrigues AR, Castro MS, Francischi JN, Perez AC, Duarte ID: Participation of ATP-sensitive K+ channels in the peripheral antinociceptive effect of fentanyl in rats. Braz J Med Biol Res. 2005 Jan;38(1):91-7. Epub 2005 Jan 18.@@Poonawala T, Levay-Young BK, Hebbel RP, Gupta K: Opioids heal ischemic wounds in the rat. Wound Repair Regen. 2005 Mar-Apr;13(2):165-74.@@Sahin AS, Duman A, Atalik EK, Ogun CO, Sahin TK, Erol A, Ozergin U: The mechanisms of the direct vascular effects of fentanyl on isolated human saphenous veins in vitro. J Cardiothorac Vasc Anesth. 2005 Apr;19(2):197-200.@@Darwish M, Tempero K, Kirby M, Thompson J: Pharmacokinetics and dose proportionality of fentanyl effervescent buccal tablets in healthy volunteers. Clin Pharmacokinet. 2005;44(12):1279-86.@@Darwish M, Kirby M, Robertson P Jr, Tracewell W, Jiang JG: Pharmacokinetic properties of fentanyl effervescent buccal tablets: a phase I, open-label, crossover study of single-dose 100, 200, 400, and 800 microg in healthy adult volunteers. Clin Ther. 2006 May;28(5):707-14." Approved Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Sensory System Agents; Anesthetics, General; Narcotics; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Phenylpiperidine opioids; Hypotensive Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Anesthetics; Opiate Agonists; Anesthetics, Intravenous; High-risk opioids; Opioid Agonist; Acids, Acyclic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Propionates; Opioids, Anilidopiperidine; Piperidines; Central Nervous System Agents; Fentanyl and fentanyl analogues; Bradycardia-Causing Agents; Nervous System; Opioid Anesthetics; Opioids" CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC(=O)OC)CC1)C(=O)OC Remifentanil Action Pathway drug_action 11311 46504538 D08473 PA451232 DAP000264 Remifentanil CHEMBL1005 73032 DB00900 Didanosine BE0000250 PNP P00491 PNPH_HUMAN substrate 24657930; 15047506; 8053921; 9572907 "Birmingham WR, Starbird CA, Panosian TD, Nannemann DP, Iverson TM, Bachmann BO: Bioretrosynthetic construction of a didanosine biosynthetic pathway. Nat Chem Biol. 2014 May;10(5):392-9. doi: 10.1038/nchembio.1494. Epub 2014 Mar 23.@@Ray AS, Olson L, Fridland A: Role of purine nucleoside phosphorylase in interactions between 2',3'-dideoxyinosine and allopurinol, ganciclovir, or tenofovir. Antimicrob Agents Chemother. 2004 Apr;48(4):1089-95. doi: 10.1128/aac.48.4.1089-1095.2004.@@Weibel M, Balzarini J, Bernhardt A, Mamont P: Potentiating effect of (2-[2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methyl]-phenyl]ethenyl) -phosphonic acid (MDL 74,428), a potent inhibitor of purine nucleoside phosphorylase, on the antiretroviral activities of 2',3'-dideoxyinosine combined with ribavirin in mice. Biochem Pharmacol. 1994 Jul 19;48(2):245-52. doi: 10.1016/0006-2952(94)90094-9.@@Singhal D, Ho NF, Anderson BD: Absorption and intestinal metabolism of purine dideoxynucleosides and an adenosine deaminase-activated prodrug of 2',3'-dideoxyinosine in the mesenteric vein cannulated rat ileum. J Pharm Sci. 1998 May;87(5):569-77. doi: 10.1021/js9703582." Approved "Purine 2',3'-dideoxyribonucleosides" "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2',3'-dideoxyribonucleosides" "Antiviral Agents; Purines; Ribonucleosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Reverse Transcriptase Inhibitors; Noxae; Nucleoside Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Drugs that are Mainly Renally Excreted; Dideoxynucleosides; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Nucleoside and Nucleotide Reverse Transcriptase Inhibitors; Nucleic Acid Synthesis Inhibitors; Deoxyribonucleosides; Antivirals for Systemic Use; Anti-HIV Agents; OAT1/SLC22A6 Substrates; Direct Acting Antivirals; Nucleic Acids, Nucleotides, and Nucleosides; Anti-Retroviral Agents; Neurotoxic agents; Anti-Infective Agents; Human Immunodeficiency Virus Nucleoside Analog Reverse Transcriptase Inhibitor; Toxic Actions" OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1NC=NC2=O Didanosine Action Pathway drug_action 916 46506255 D00296 PA449301 DNC000528 Didanosine CHEMBL1460 3364 DB00902 Methdilazine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 17139284; 17016423; 11752352; 9700532; 20012879 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Chattopadhyay D, Mukherjee T, Pal P, Saha B, Bhadra R: Altered membrane permeability as the basis of bactericidal action of methdilazine. J Antimicrob Chemother. 1998 Jul;42(1):83-6.@@Dasgupta A, Chaki S, Mukherjee S, Lourduraja J, Mazumdar K, Dutta NK, Dastidar SG: Experimental analyses of synergistic combinations of antibiotics with a recently recognised antibacterial agent, lacidipine. Eur J Clin Microbiol Infect Dis. 2010 Feb;29(2):239-43. doi: 10.1007/s10096-009-0845-y. Epub 2009 Dec 13." Approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Phenothiazine Derivatives; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Histamine Antagonists; Histamine H1 Antagonists; Sulfur Compounds; Antihistamines for Systemic Use" CN1CCC(CN2C3=CC=CC=C3SC3=CC=CC=C23)C1 Methdilazine H1-Antihistamine Action drug_action 46505472 D04979 PA164743018 DAP001070 Methdilazine CHEMBL1200959 29648 DB00903 Etacrynic acid BE0000732 ATP1A1 P05023 AT1A1_HUMAN inhibitor 124205; 124600; 12680902; 12713517; 127690 "Ronquist G, Agren GK: A Mg2+- and Ca2+-stimulated adenosine triphosphatase at the outer surface of Ehrlich ascites tumor cells. Cancer Res. 1975 Jun;35(6):1402-6.@@Proverbio F, Condrescu-Guidi M, Whittembury G: Ouabain-insensitive Na+ stimulation of an Mg-2+ -dependent ATPase in kidney tissue. Biochim Biophys Acta. 1975 Jun 25;394(2):281-92.@@Valdes RM, Huff MO, El-Masri MA, El-Mallakh RS: Effect of ethacrynic acid on sodium pump alpha isoforms in SH-SY5Y cells. Bipolar Disord. 2003 Apr;5(2):123-8.@@Kiil F, Sejersted OM: Analysis of energy metabolism and mechanism of loop diuretics in the thick ascending limb of Henle's loop in dog kidneys. Acta Physiol Scand. 2003 May;178(1):73-82.@@Schurek HJ, Aulbert E, Ebel H, Muller-Suur C: Influence of ouabain and ethacrynic acid on sodium transport and NaK-ATPase activity in the isolated perfused rat kidney. Curr Probl Clin Biochem. 1975;4:162-8." Approved; Investigational Chlorophenoxyacetates Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives "Ototoxic agents; Agents that produce neuromuscular block (indirect); Phenoxyacetates; Enzyme Inhibitors; Aryloxyacetic Acid Derivatives; Hyperglycemia-Associated Agents; Nephrotoxic agents; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Hydroxy Acids; Increased Diuresis at Loop of Henle; Acetates; High-Ceiling Diuretics; Diuretics; Acids, Acyclic; Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; Glycolates" CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1 Ethacrynic Acid Action Pathway drug_action 4550 46507562 D00313 PA449518 DAP000748 Etacrynic_acid CHEMBL456 4109 DB00903 Etacrynic acid BE0009011 LEF1 Q9UJU2 LEF1_HUMAN 20011538 "Lu D, Liu JX, Endo T, Zhou H, Yao S, Willert K, Schmidt-Wolf IG, Kipps TJ, Carson DA: Ethacrynic acid exhibits selective toxicity to chronic lymphocytic leukemia cells by inhibition of the Wnt/beta-catenin pathway. PLoS One. 2009 Dec 14;4(12):e8294. doi: 10.1371/journal.pone.0008294." Approved; Investigational Chlorophenoxyacetates Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives "Ototoxic agents; Agents that produce neuromuscular block (indirect); Phenoxyacetates; Enzyme Inhibitors; Aryloxyacetic Acid Derivatives; Hyperglycemia-Associated Agents; Nephrotoxic agents; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Hydroxy Acids; Increased Diuresis at Loop of Henle; Acetates; High-Ceiling Diuretics; Diuretics; Acids, Acyclic; Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; Glycolates" CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1 Ethacrynic Acid Action Pathway drug_action 4550 46507562 D00313 PA449518 DAP000748 Etacrynic_acid CHEMBL456 4109 DB00904 Ondansetron BE0000084 HTR4 Q13639 5HT4R_HUMAN agonist 2164935 "van Wijngaarden I, Tulp MT, Soudijn W: The concept of selectivity in 5-HT receptor research. Eur J Pharmacol. 1990 Jun 12;188(6):301-12." Approved; Withdrawn Carbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonin 5-HT3 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Imidazoles; Cytochrome P-450 CYP1A2 Inhibitors; Serotonin 3 Receptor Antagonists; Antiemetic Serotonin 5-HT3 Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Serotonin Agents; Anti-Anxiety Agents; Antiemetics and Antinauseants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Psychotropic Drugs; Carbazoles; Antiemetics; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN1C2=C(C3=CC=CC=C13)C(=O)C(CN1C=CN=C1C)CC2 947 46504819 D00456 PA450705 DAP000221 Ondansetron CHEMBL46 26225 DB00904 Ondansetron BE0000770 OPRM1 P35372 OPRM_HUMAN other/unknown 2164935 "van Wijngaarden I, Tulp MT, Soudijn W: The concept of selectivity in 5-HT receptor research. Eur J Pharmacol. 1990 Jun 12;188(6):301-12." Approved; Withdrawn Carbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonin 5-HT3 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Imidazoles; Cytochrome P-450 CYP1A2 Inhibitors; Serotonin 3 Receptor Antagonists; Antiemetic Serotonin 5-HT3 Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Serotonin Agents; Anti-Anxiety Agents; Antiemetics and Antinauseants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Psychotropic Drugs; Carbazoles; Antiemetics; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN1C2=C(C3=CC=CC=C13)C(=O)C(CN1C=CN=C1C)CC2 947 46504819 D00456 PA450705 DAP000221 Ondansetron CHEMBL46 26225 DB00905 Bimatoprost BE0002375 PTGER3 P43115 PE2R3_HUMAN agonist 14733708; 19232013; 16877408 "Sharif NA, Kelly CR, Crider JY, Williams GW, Xu SX: Ocular hypotensive FP prostaglandin (PG) analogs: PG receptor subtype binding affinities and selectivities, and agonist potencies at FP and other PG receptors in cultured cells. J Ocul Pharmacol Ther. 2003 Dec;19(6):501-15.@@Gabelt BT, Hennes EA, Bendel MA, Constant CE, Okka M, Kaufman PL: Prostaglandin subtype-selective and non-selective IOP-lowering comparison in monkeys. J Ocul Pharmacol Ther. 2009 Feb;25(1):1-8. doi: 10.1089/jop.2008.0089.@@Ota T, Aihara M, Saeki T, Narumiya S, Araie M: The effects of prostaglandin analogues on prostanoid EP1, EP2, and EP3 receptor-deficient mice. Invest Ophthalmol Vis Sci. 2006 Aug;47(8):3395-9." Approved; Investigational Prostaglandins and related compounds Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids "Inflammation Mediators; Prostaglandins F, Synthetic; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Amides; Eicosanoids; Cardiovascular Agents; Cytochrome P-450 Substrates; Antiglaucoma Preparations and Miotics; Fatty Acids; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Lipids; Cytochrome P-450 CYP3A4 Substrates; Prostaglandins, Synthetic; Ophthalmologicals; Prostaglandins; Autacoids; Prostaglandin analogs reducing intraocular pressure (IOP); Fatty Acids, Unsaturated; Sensory Organs" CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCC1=CC=CC=C1 12108 46505334 D02724 PA164748867 DAP001217 Bimatoprost CHEMBL1200963 283810 DB00906 Tiagabine BE0000249 SLC6A1 P30531 SC6A1_HUMAN inhibitor 11752352; 16420077; 18007567; 16377242; 20512624; 17069932 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Pollack MH, Roy-Byrne PP, Van Ameringen M, Snyder H, Brown C, Ondrasik J, Rickels K: The selective GABA reuptake inhibitor tiagabine for the treatment of generalized anxiety disorder: results of a placebo-controlled study. J Clin Psychiatry. 2005 Nov;66(11):1401-8.@@Sheehan DV, Sheehan KH, Raj BA, Janavs J: An open-label study of tiagabine in panic disorder. Psychopharmacol Bull. 2007;40(3):32-40.@@Foster AC, Kemp JA: Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17. Epub 2005 Dec 22.@@Sunol C, Babot Z, Cristofol R, Sonnewald U, Waagepetersen HS, Schousboe A: A possible role of the non-GAT1 GABA transporters in transfer of GABA from GABAergic to glutamatergic neurons in mouse cerebellar neuronal cultures. Neurochem Res. 2010 Sep;35(9):1384-90. doi: 10.1007/s11064-010-0196-1. Epub 2010 May 30.@@Henjum S, Hassel B: High-affinity GABA uptake and GABA-metabolizing enzymes in pig forebrain white matter: a quantitative study. Neurochem Int. 2007 Jan;50(2):365-70. Epub 2006 Oct 27." Approved; Investigational Piperidinecarboxylic acids Organic compounds; Organoheterocyclic compounds; Piperidines; Piperidinecarboxylic acids and derivatives GABA Uptake Inhibitors; Cytochrome P-450 CYP3A Substrates; Neurotransmitter Uptake Inhibitors; GABA Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Membrane Transport Modulators; Nipecotic Acid and Derivatives; Fatty Acid Derivatives; Cytochrome P-450 CYP3A4 Substrates; Piperidines; Central Nervous System Agents; UGT1A1 Substrates; Neurotransmitter Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants CC1=C(SC=C1)C(=CCCN1CCC[C@H](C1)C(O)=O)C1=C(C)C=CS1 46505560 PA451682 DAP000164 Tiagabine CHEMBL1027 31914 DB00907 Cocaine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 15351386; 3047364 "Carrera MR, Meijler MM, Janda KD: Cocaine pharmacology and current pharmacotherapies for its abuse. Bioorg Med Chem. 2004 Oct 1;12(19):5019-30.@@Sharkey J, Ritz MC, Schenden JA, Hanson RC, Kuhar MJ: Cocaine inhibits muscarinic cholinergic receptors in heart and brain. J Pharmacol Exp Ther. 1988 Sep;246(3):1048-52." Approved; Illicit Benzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Esters of Benzoic Acid; Azabicyclo Compounds; Central Nervous System Stimulants; Aza Compounds; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Analgesics and Anesthetics; Alkaloids; Anesthetics; Vasoconstrictor Agents; Membrane Transport Modulators; Tropanes; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Throat Preparations; Local Anesthetics (Ester); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Cocaine, antagonists & inhibitors; Ophthalmologicals; Central Nervous System Agents; Highest Risk QTc-Prolonging Agents; Cholinesterase substrates; Neurotransmitter Agents; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents; Sensory Organs" [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C Cocaine Action Pathway drug_action 20241 46506326 D00110 PA449072 DAP000834 Cocaine CHEMBL370805 2653 DB00908 Quinidine BE0000154 KCNK1 O00180 KCNK1_HUMAN inhibitor 8605869; 9003761 "Lesage F, Guillemare E, Fink M, Duprat F, Lazdunski M, Romey G, Barhanin J: TWIK-1, a ubiquitous human weakly inward rectifying K+ channel with a novel structure. EMBO J. 1996 Mar 1;15(5):1004-11.@@Fink M, Duprat F, Lesage F, Reyes R, Romey G, Heurteaux C, Lazdunski M: Cloning, functional expression and brain localization of a novel unconventional outward rectifier K+ channel. EMBO J. 1996 Dec 16;15(24):6854-62." Approved; Investigational Cinchona alkaloids Organic compounds; Alkaloids and derivatives; Cinchona alkaloids "OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inhibitors; Antimalarials; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; Agents that reduce seizure threshold; Adrenergic Antagonists; Cinchona Alkaloids; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Plant Extracts; Cytochrome P-450 CYP2C9 Substrates; BSEP/ABCB11 Inhibitors; Polysaccharides; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs; Quinolines; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP2C8 Inhibitors (weak); Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Quinuclidines; Complex Mixtures; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Antiarrhythmic agents; Cardiac Therapy; Antiarrhythmics, Class I; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Sodium Channel Blockers; Agents that produce neuromuscular block (indirect); Cholinergic Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP1A2 Inhibitors (strong); Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Plant Preparations; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antiparasitic Agents; Muscarinic Antagonists; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Polymers; OCT1 inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Carbohydrates; Antiarrhythmics, Class Ia; Cytochrome P-450 Substrates; Antiprotozoals; Macromolecular Substances; Drugs that are Mainly Renally Excreted; Biopolymers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Negative Inotrope; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Biological Products; Anti-Infective Agents; Voltage-Gated Sodium Channel Blockers; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents" [H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1 Quinidine Action Pathway drug_action 6717 46505356 D08458 PA451209 DAP000515 Quinidine CHEMBL1294 9068 DB00908 Quinidine BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 9570190 "Shibata K, Hirasawa A, Foglar R, Ogawa S, Tsujimoto G: Effects of quinidine and verapamil on human cardiovascular alpha1-adrenoceptors. Circulation. 1998 Apr 7;97(13):1227-30." Approved; Investigational Cinchona alkaloids Organic compounds; Alkaloids and derivatives; Cinchona alkaloids "OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inhibitors; Antimalarials; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; Agents that reduce seizure threshold; Adrenergic Antagonists; Cinchona Alkaloids; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Plant Extracts; Cytochrome P-450 CYP2C9 Substrates; BSEP/ABCB11 Inhibitors; Polysaccharides; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs; Quinolines; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP2C8 Inhibitors (weak); Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Quinuclidines; Complex Mixtures; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Antiarrhythmic agents; Cardiac Therapy; Antiarrhythmics, Class I; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Sodium Channel Blockers; Agents that produce neuromuscular block (indirect); Cholinergic Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP1A2 Inhibitors (strong); Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Plant Preparations; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antiparasitic Agents; Muscarinic Antagonists; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Polymers; OCT1 inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Carbohydrates; Antiarrhythmics, Class Ia; Cytochrome P-450 Substrates; Antiprotozoals; Macromolecular Substances; Drugs that are Mainly Renally Excreted; Biopolymers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Negative Inotrope; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Biological Products; Anti-Infective Agents; Voltage-Gated Sodium Channel Blockers; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents" [H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1 Quinidine Action Pathway drug_action 6717 46505356 D08458 PA451209 DAP000515 Quinidine CHEMBL1294 9068 DB00909 Zonisamide BE0002081 SCN2A Q99250 SCN2A_HUMAN inhibitor 20025128; 18433351; 20001433; 14704463; 19948168; 15511691; 19557119 "Janszky J: [Role of zonisamid in treating epilepsy, Parkinson disorders and other neurological diseases]. Ideggyogy Sz. 2009 Nov 30;62(11-12):383-9.@@Kothare SV, Kaleyias J: Zonisamide: review of pharmacology, clinical efficacy, tolerability, and safety. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):493-506. doi: 10.1517/17425255.4.4.493 .@@Schulze-Bonhage A: Zonisamide in the treatment of epilepsy. Expert Opin Pharmacother. 2010 Jan;11(1):115-26. doi: 10.1517/14656560903468728.@@Sobieszek G, Borowicz KK, Kimber-Trojnar Z, Malek R, Piskorska B, Czuczwar SJ: Zonisamide: a new antiepileptic drug. Pol J Pharmacol. 2003 Sep-Oct;55(5):683-9.@@Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Leppik IE: Zonisamide: chemistry, mechanism of action, and pharmacokinetics. Seizure. 2004 Dec;13 Suppl 1:S5-9; discussion S10.@@Zaccara G, Specchio LM: Long-term safety and effectiveness of zonisamide in the treatment of epilepsy: a review of the literature. Neuropsychiatr Dis Treat. 2009;5:249-59. Epub 2009 May 20." Approved; Investigational Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles "QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" NS(=O)(=O)CC1=NOC2=CC=CC=C12 46505278 D00538 PA451978 DAP000500 Zonisamide CHEMBL750 39998 DB00909 Zonisamide BE0002082 SCN3A Q9NY46 SCN3A_HUMAN inhibitor 20025128; 18433351; 20001433; 14704463; 19948168; 15511691; 19557119 "Janszky J: [Role of zonisamid in treating epilepsy, Parkinson disorders and other neurological diseases]. Ideggyogy Sz. 2009 Nov 30;62(11-12):383-9.@@Kothare SV, Kaleyias J: Zonisamide: review of pharmacology, clinical efficacy, tolerability, and safety. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):493-506. doi: 10.1517/17425255.4.4.493 .@@Schulze-Bonhage A: Zonisamide in the treatment of epilepsy. Expert Opin Pharmacother. 2010 Jan;11(1):115-26. doi: 10.1517/14656560903468728.@@Sobieszek G, Borowicz KK, Kimber-Trojnar Z, Malek R, Piskorska B, Czuczwar SJ: Zonisamide: a new antiepileptic drug. Pol J Pharmacol. 2003 Sep-Oct;55(5):683-9.@@Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Leppik IE: Zonisamide: chemistry, mechanism of action, and pharmacokinetics. Seizure. 2004 Dec;13 Suppl 1:S5-9; discussion S10.@@Zaccara G, Specchio LM: Long-term safety and effectiveness of zonisamide in the treatment of epilepsy: a review of the literature. Neuropsychiatr Dis Treat. 2009;5:249-59. Epub 2009 May 20." Approved; Investigational Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles "QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" NS(=O)(=O)CC1=NOC2=CC=CC=C12 46505278 D00538 PA451978 DAP000500 Zonisamide CHEMBL750 39998 DB00909 Zonisamide BE0001143 SCN9A Q15858 SCN9A_HUMAN inhibitor 20025128; 18433351; 20001433; 14704463; 19948168; 15511691; 19557119 "Janszky J: [Role of zonisamid in treating epilepsy, Parkinson disorders and other neurological diseases]. Ideggyogy Sz. 2009 Nov 30;62(11-12):383-9.@@Kothare SV, Kaleyias J: Zonisamide: review of pharmacology, clinical efficacy, tolerability, and safety. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):493-506. doi: 10.1517/17425255.4.4.493 .@@Schulze-Bonhage A: Zonisamide in the treatment of epilepsy. Expert Opin Pharmacother. 2010 Jan;11(1):115-26. doi: 10.1517/14656560903468728.@@Sobieszek G, Borowicz KK, Kimber-Trojnar Z, Malek R, Piskorska B, Czuczwar SJ: Zonisamide: a new antiepileptic drug. Pol J Pharmacol. 2003 Sep-Oct;55(5):683-9.@@Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Leppik IE: Zonisamide: chemistry, mechanism of action, and pharmacokinetics. Seizure. 2004 Dec;13 Suppl 1:S5-9; discussion S10.@@Zaccara G, Specchio LM: Long-term safety and effectiveness of zonisamide in the treatment of epilepsy: a review of the literature. Neuropsychiatr Dis Treat. 2009;5:249-59. Epub 2009 May 20." Approved; Investigational Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles "QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" NS(=O)(=O)CC1=NOC2=CC=CC=C12 46505278 D00538 PA451978 DAP000500 Zonisamide CHEMBL750 39998 DB00909 Zonisamide BE0000192 SCN11A Q9UI33 SCNBA_HUMAN inhibitor 20025128; 18433351; 20001433; 14704463; 19948168; 15511691; 19557119 "Janszky J: [Role of zonisamid in treating epilepsy, Parkinson disorders and other neurological diseases]. Ideggyogy Sz. 2009 Nov 30;62(11-12):383-9.@@Kothare SV, Kaleyias J: Zonisamide: review of pharmacology, clinical efficacy, tolerability, and safety. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):493-506. doi: 10.1517/17425255.4.4.493 .@@Schulze-Bonhage A: Zonisamide in the treatment of epilepsy. Expert Opin Pharmacother. 2010 Jan;11(1):115-26. doi: 10.1517/14656560903468728.@@Sobieszek G, Borowicz KK, Kimber-Trojnar Z, Malek R, Piskorska B, Czuczwar SJ: Zonisamide: a new antiepileptic drug. Pol J Pharmacol. 2003 Sep-Oct;55(5):683-9.@@Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Leppik IE: Zonisamide: chemistry, mechanism of action, and pharmacokinetics. Seizure. 2004 Dec;13 Suppl 1:S5-9; discussion S10.@@Zaccara G, Specchio LM: Long-term safety and effectiveness of zonisamide in the treatment of epilepsy: a review of the literature. Neuropsychiatr Dis Treat. 2009;5:249-59. Epub 2009 May 20." Approved; Investigational Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles "QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" NS(=O)(=O)CC1=NOC2=CC=CC=C12 46505278 D00538 PA451978 DAP000500 Zonisamide CHEMBL750 39998 DB00909 Zonisamide BE0000864 CACNA1H O95180 CAC1H_HUMAN inhibitor 20001433; 18433351; 14704463; 20025128; 19948168; 15511691; 14965331; 20502722; 19557119; 17762320 "Schulze-Bonhage A: Zonisamide in the treatment of epilepsy. Expert Opin Pharmacother. 2010 Jan;11(1):115-26. doi: 10.1517/14656560903468728.@@Kothare SV, Kaleyias J: Zonisamide: review of pharmacology, clinical efficacy, tolerability, and safety. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):493-506. doi: 10.1517/17425255.4.4.493 .@@Sobieszek G, Borowicz KK, Kimber-Trojnar Z, Malek R, Piskorska B, Czuczwar SJ: Zonisamide: a new antiepileptic drug. Pol J Pharmacol. 2003 Sep-Oct;55(5):683-9.@@Janszky J: [Role of zonisamid in treating epilepsy, Parkinson disorders and other neurological diseases]. Ideggyogy Sz. 2009 Nov 30;62(11-12):383-9.@@Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Leppik IE: Zonisamide: chemistry, mechanism of action, and pharmacokinetics. Seizure. 2004 Dec;13 Suppl 1:S5-9; discussion S10.@@Murata M: Novel therapeutic effects of the anti-convulsant, zonisamide, on Parkinson's disease. Curr Pharm Des. 2004;10(6):687-93.@@Murata M: Zonisamide: a new drug for Parkinson's disease. Drugs Today (Barc). 2010 Apr;46(4):251-8. doi: 10.1358/dot.2010.46.4.1490077.@@Zaccara G, Specchio LM: Long-term safety and effectiveness of zonisamide in the treatment of epilepsy: a review of the literature. Neuropsychiatr Dis Treat. 2009;5:249-59. Epub 2009 May 20.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40." Approved; Investigational Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles "QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" NS(=O)(=O)CC1=NOC2=CC=CC=C12 46505278 D00538 PA451978 DAP000500 Zonisamide CHEMBL750 39998 DB00909 Zonisamide BE0000012 CACNA1I Q9P0X4 CAC1I_HUMAN inhibitor 20001433; 18433351; 14704463; 20025128; 19948168; 15511691; 14965331; 20502722; 19557119; 17762320 "Schulze-Bonhage A: Zonisamide in the treatment of epilepsy. Expert Opin Pharmacother. 2010 Jan;11(1):115-26. doi: 10.1517/14656560903468728.@@Kothare SV, Kaleyias J: Zonisamide: review of pharmacology, clinical efficacy, tolerability, and safety. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):493-506. doi: 10.1517/17425255.4.4.493 .@@Sobieszek G, Borowicz KK, Kimber-Trojnar Z, Malek R, Piskorska B, Czuczwar SJ: Zonisamide: a new antiepileptic drug. Pol J Pharmacol. 2003 Sep-Oct;55(5):683-9.@@Janszky J: [Role of zonisamid in treating epilepsy, Parkinson disorders and other neurological diseases]. Ideggyogy Sz. 2009 Nov 30;62(11-12):383-9.@@Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Leppik IE: Zonisamide: chemistry, mechanism of action, and pharmacokinetics. Seizure. 2004 Dec;13 Suppl 1:S5-9; discussion S10.@@Murata M: Novel therapeutic effects of the anti-convulsant, zonisamide, on Parkinson's disease. Curr Pharm Des. 2004;10(6):687-93.@@Murata M: Zonisamide: a new drug for Parkinson's disease. Drugs Today (Barc). 2010 Apr;46(4):251-8. doi: 10.1358/dot.2010.46.4.1490077.@@Zaccara G, Specchio LM: Long-term safety and effectiveness of zonisamide in the treatment of epilepsy: a review of the literature. Neuropsychiatr Dis Treat. 2009;5:249-59. Epub 2009 May 20.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40." Approved; Investigational Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles "QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" NS(=O)(=O)CC1=NOC2=CC=CC=C12 46505278 D00538 PA451978 DAP000500 Zonisamide CHEMBL750 39998 DB00909 Zonisamide BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 19703035; 18537527; 18343915; 15837316; 8494570; 18782051; 17762320; 17582922 "De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@Shank RP, Smith-Swintosky VL, Maryanoff BE: Carbonic anhydrase inhibition. Insight into the characteristics of zonisamide, topiramate, and the sulfamide cognate of topiramate. J Enzyme Inhib Med Chem. 2008 Apr;23(2):271-6. doi: 10.1080/14756360701507001 .@@De Simone G, Di Fiore A, Menchise V, Pedone C, Antel J, Casini A, Scozzafava A, Wurl M, Supuran CT: Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies. Bioorg Med Chem Lett. 2005 May 2;15(9):2315-20.@@Masuda Y, Karasawa T: Inhibitory effect of zonisamide on human carbonic anhydrase in vitro. Arzneimittelforschung. 1993 Apr;43(4):416-8.@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7." Approved; Investigational Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles "QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" NS(=O)(=O)CC1=NOC2=CC=CC=C12 46505278 D00538 PA451978 DAP000500 Zonisamide CHEMBL750 39998 DB00909 Zonisamide BE0003625 CA3 P07451 CAH3_HUMAN inhibitor 19703035; 18537527; 18782051; 17762320; 17582922; 15837316; 18343915; 8494570 "De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7.@@De Simone G, Di Fiore A, Menchise V, Pedone C, Antel J, Casini A, Scozzafava A, Wurl M, Supuran CT: Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies. Bioorg Med Chem Lett. 2005 May 2;15(9):2315-20.@@Shank RP, Smith-Swintosky VL, Maryanoff BE: Carbonic anhydrase inhibition. Insight into the characteristics of zonisamide, topiramate, and the sulfamide cognate of topiramate. J Enzyme Inhib Med Chem. 2008 Apr;23(2):271-6. doi: 10.1080/14756360701507001 .@@Masuda Y, Karasawa T: Inhibitory effect of zonisamide on human carbonic anhydrase in vitro. Arzneimittelforschung. 1993 Apr;43(4):416-8." Approved; Investigational Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles "QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" NS(=O)(=O)CC1=NOC2=CC=CC=C12 46505278 D00538 PA451978 DAP000500 Zonisamide CHEMBL750 39998 DB00909 Zonisamide BE0003626 CA5A P35218 CAH5A_HUMAN inhibitor 19703035; 18537527; 15837316; 18782051; 17762320; 17582922 "De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@De Simone G, Di Fiore A, Menchise V, Pedone C, Antel J, Casini A, Scozzafava A, Wurl M, Supuran CT: Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies. Bioorg Med Chem Lett. 2005 May 2;15(9):2315-20.@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7." Approved; Investigational Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles "QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" NS(=O)(=O)CC1=NOC2=CC=CC=C12 46505278 D00538 PA451978 DAP000500 Zonisamide CHEMBL750 39998 DB00909 Zonisamide BE0003627 CA5B Q9Y2D0 CAH5B_HUMAN inhibitor 19703035; 18537527; 15837316; 18782051; 17762320; 17582922 "De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@De Simone G, Di Fiore A, Menchise V, Pedone C, Antel J, Casini A, Scozzafava A, Wurl M, Supuran CT: Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies. Bioorg Med Chem Lett. 2005 May 2;15(9):2315-20.@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7." Approved; Investigational Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles "QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" NS(=O)(=O)CC1=NOC2=CC=CC=C12 46505278 D00538 PA451978 DAP000500 Zonisamide CHEMBL750 39998 DB00909 Zonisamide BE0003628 CA6 P23280 CAH6_HUMAN inhibitor 19703035; 18537527; 18782051; 17762320; 17582922 "De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7." Approved; Investigational Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles "QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" NS(=O)(=O)CC1=NOC2=CC=CC=C12 46505278 D00538 PA451978 DAP000500 Zonisamide CHEMBL750 39998 DB00909 Zonisamide BE0003630 CA8 P35219 CAH8_HUMAN inhibitor 19703035; 18537527; 18782051; 17762320; 17582922 "De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7." Approved; Investigational Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles "QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" NS(=O)(=O)CC1=NOC2=CC=CC=C12 46505278 D00538 PA451978 DAP000500 Zonisamide CHEMBL750 39998 DB00909 Zonisamide BE0003631 CA10 Q9NS85 CAH10_HUMAN inhibitor 19703035; 18537527; 18782051; 17762320; 17582922 "De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7." Approved; Investigational Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles "QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" NS(=O)(=O)CC1=NOC2=CC=CC=C12 46505278 D00538 PA451978 DAP000500 Zonisamide CHEMBL750 39998 DB00909 Zonisamide BE0003632 CA11 O75493 CAH11_HUMAN inhibitor 19703035; 18537527; 18782051; 17762320; 17582922 "De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7." Approved; Investigational Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles "QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" NS(=O)(=O)CC1=NOC2=CC=CC=C12 46505278 D00538 PA451978 DAP000500 Zonisamide CHEMBL750 39998 DB00909 Zonisamide BE0003633 CA13 Q8N1Q1 CAH13_HUMAN inhibitor 19703035; 18537527; 18782051; 17762320; 17582922 "De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7." Approved; Investigational Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles "QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" NS(=O)(=O)CC1=NOC2=CC=CC=C12 46505278 D00538 PA451978 DAP000500 Zonisamide CHEMBL750 39998 DB00909 Zonisamide BE0008668 GABRA1 Q99928 GBRG3_HUMAN binder 19412474 "Wilfong AA, Willmore LJ: Zonisamide - a review of experience and use in partial seizures. Neuropsychiatr Dis Treat. 2006 Sep;2(3):269-80. doi: 10.2147/nedt.2006.2.3.269." Approved; Investigational Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles "QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" NS(=O)(=O)CC1=NOC2=CC=CC=C12 46505278 D00538 PA451978 DAP000500 Zonisamide CHEMBL750 39998 DB00910 Paricalcitol BE0000779 VDR P11473 VDR_HUMAN agonist 17139284; 17016423; 16076355; 19494617; 20204178; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Andress DL: Vitamin D treatment in chronic kidney disease. Semin Dial. 2005 Jul-Aug;18(4):315-21.@@Brancaccio D, Cozzolino M, Pasho S, Fallabrino G, Olivi L, Gallieni M: New acquisitions in therapy of secondary hyperparathyroidism in chronic kidney disease and peritoneal dialysis patients: role of vitamin D receptor activators. Contrib Nephrol. 2009;163:219-26. doi: 10.1159/000223802. Epub 2009 Jun 3.@@Wu-Wong JR, Nakane M, Gagne GD, Brooks KA, Noonan WT: Comparison of the pharmacological effects of paricalcitol and doxercalciferol on the factors involved in mineral homeostasis. Int J Endocrinol. 2010;2010:621687. doi: 10.1155/2010/621687. Epub 2010 Mar 2.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives "Vitamins; Cytochrome P-450 CYP3A Substrates; Cholestenes; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Steroids; Fused-Ring Compounds; Anti-Parathyroid Agents; Vitamin D and Analogues; Lipids; Calcium Homeostasis; Cytochrome P-450 CYP3A4 Substrates; Secosteroids; Cholestanes; Sterols; UGT1A4 substrates; Bone Density Conservation Agents; Membrane Lipids" [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)\C=C\[C@H](C)C(C)(C)O 13272 46505780 D00930 PA450798 DAP000211 Paricalcitol CHEMBL1200622 73710 DB00912 Repaglinide BE0000215 PPARG P37231 PPARG_HUMAN agonist 17082235 "Scarsi M, Podvinec M, Roth A, Hug H, Kersten S, Albrecht H, Schwede T, Meyer UA, Rucker C: Sulfonylureas and glinides exhibit peroxisome proliferator-activated receptor gamma activity: a combined virtual screening and biological assay approach. Mol Pharmacol. 2007 Feb;71(2):398-406. Epub 2006 Nov 2." Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "Drugs Used in Diabetes; Stereoisomerism; Insulin Secretagogues; Meglitinides; Oral Hypoglycemics; Cytochrome P-450 Substrates; Hypoglycemia-Associated Agents; Glinide; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Potassium Channel Blockers; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2C8 Substrates" CCOC1=C(C=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=C1)C(O)=O Repaglinide Action Pathway drug_action 11860 46508150 D00594 PA451234 DAP000133 Repaglinide CHEMBL1272 73044 DB00912 Repaglinide BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11190775 "Horak F, Unkauf M, Beckers C, Mittermaier EM: Efficacy and tolerability of intranasally applied dimetindene maleate solution versus placebo in the treatment of seasonal allergic rhinitis. Arzneimittelforschung. 2000 Dec;50(12):1099-105. doi: 10.1055/s-0031-1300341." Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "Drugs Used in Diabetes; Stereoisomerism; Insulin Secretagogues; Meglitinides; Oral Hypoglycemics; Cytochrome P-450 Substrates; Hypoglycemia-Associated Agents; Glinide; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Potassium Channel Blockers; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2C8 Substrates" CCOC1=C(C=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=C1)C(O)=O Repaglinide Action Pathway drug_action 11860 46508150 D00594 PA451234 DAP000133 Repaglinide CHEMBL1272 73044 DB00913 Anileridine BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 17139284; 17016423; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Illicit Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "Piperidines; Anesthetics, General; Anesthetics; Nervous System; Opioid Anesthetics" CCOC(=O)C1(CCN(CCC2=CC=C(N)C=C2)CC1)C1=CC=CC=C1 Anileridine Action Pathway drug_action 11387 46505199 D02941 PA164768817 DAP001135 Anileridine CHEMBL1201347 17933 DB00914 Phenformin BE0000677 PRKAA1 Q13131 AAPK1_HUMAN activator 17603555; 17995453; 17369473 "Woollhead AM, Sivagnanasundaram J, Kalsi KK, Pucovsky V, Pellatt LJ, Scott JW, Mustard KJ, Hardie DG, Baines DL: Pharmacological activators of AMP-activated protein kinase have different effects on Na+ transport processes across human lung epithelial cells. Br J Pharmacol. 2007 Aug;151(8):1204-15. Epub 2007 Jul 2.@@Chen S, Murphy J, Toth R, Campbell DG, Morrice NA, Mackintosh C: Complementary regulation of TBC1D1 and AS160 by growth factors, insulin and AMPK activators. Biochem J. 2008 Jan 15;409(2):449-59.@@Zhang L, He H, Balschi JA: Metformin and phenformin activate AMP-activated protein kinase in the heart by increasing cytosolic AMP concentration. Am J Physiol Heart Circ Physiol. 2007 Jul;293(1):H457-66. Epub 2007 Mar 16." Approved; Investigational; Withdrawn Biguanides Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines Drugs Used in Diabetes; OCT1 substrates; Cytochrome P-450 CYP2D6 Substrates; Oral Hypoglycemics; OCT2 Inhibitors; Cytochrome P-450 Substrates; Amidines; Biguanides; Guanidines; OCT1 inhibitors; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism NC(=N)NC(=N)NCCC1=CC=CC=C1 46505230 D08351 PA1000 DAP000206 Phenformin CHEMBL170988 8129 DB00915 Amantadine BE0000641 GRIN3A Q8TCU5 NMD3A_HUMAN antagonist 15800186; 10443547 "Blanpied TA, Clarke RJ, Johnson JW: Amantadine inhibits NMDA receptors by accelerating channel closure during channel block. J Neurosci. 2005 Mar 30;25(13):3312-22.@@Hesselink MB, De Boer AG, Breimer DD, Danysz W: Adaptations of NMDA and dopamine D2, but not of muscarinic receptors following 14 days administration of uncompetitive NMDA receptor antagonists. J Neural Transm (Vienna). 1999;106(5-6):409-21." Approved Monoalkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Sensory System Agents; Antiviral Agents; Nicotinic Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Adamantanes; OCT2 Substrates; OCT1 substrates; Adamantane Derivatives; Bridged-Ring Compounds; Drugs that are Mainly Renally Excreted; NMDA Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Anti-Parkinson Drugs; Influenza A M2 Protein Inhibitor; Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Anti-Infective Agents; Central Nervous System Agents; M2 Protein Inhibitors; Neurotransmitter Agents; OCT1 inhibitors; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents" NC12CC3CC(CC(C3)C1)C2 9905 46507081 PA448360 DAP000781 Amantadine CHEMBL660 620 DB00915 Amantadine BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 9152392 "Matsubayashi H, Swanson KL, Albuquerque EX: Amantadine inhibits nicotinic acetylcholine receptor function in hippocampal neurons. J Pharmacol Exp Ther. 1997 May;281(2):834-44." Approved Monoalkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Sensory System Agents; Antiviral Agents; Nicotinic Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Adamantanes; OCT2 Substrates; OCT1 substrates; Adamantane Derivatives; Bridged-Ring Compounds; Drugs that are Mainly Renally Excreted; NMDA Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Anti-Parkinson Drugs; Influenza A M2 Protein Inhibitor; Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Anti-Infective Agents; Central Nervous System Agents; M2 Protein Inhibitors; Neurotransmitter Agents; OCT1 inhibitors; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents" NC12CC3CC(CC(C3)C1)C2 9905 46507081 PA448360 DAP000781 Amantadine CHEMBL660 620 DB00915 Amantadine BE0003585 CHRNA3 P32297 ACHA3_HUMAN antagonist 9152392 "Matsubayashi H, Swanson KL, Albuquerque EX: Amantadine inhibits nicotinic acetylcholine receptor function in hippocampal neurons. J Pharmacol Exp Ther. 1997 May;281(2):834-44." Approved Monoalkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Sensory System Agents; Antiviral Agents; Nicotinic Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Adamantanes; OCT2 Substrates; OCT1 substrates; Adamantane Derivatives; Bridged-Ring Compounds; Drugs that are Mainly Renally Excreted; NMDA Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Anti-Parkinson Drugs; Influenza A M2 Protein Inhibitor; Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Anti-Infective Agents; Central Nervous System Agents; M2 Protein Inhibitors; Neurotransmitter Agents; OCT1 inhibitors; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents" NC12CC3CC(CC(C3)C1)C2 9905 46507081 PA448360 DAP000781 Amantadine CHEMBL660 620 DB00917 Dinoprostone BE0000368 PTGER2 P43116 PE2R2_HUMAN agonist 18715952; 20599704; 19788928; 17329241; 11752352 "Baryawno N, Sveinbjornsson B, Eksborg S, Orrego A, Segerstrom L, Oqvist CO, Holm S, Gustavsson B, Kagedal B, Kogner P, Johnsen JI: Tumor-growth-promoting cyclooxygenase-2 prostaglandin E2 pathway provides medulloblastoma therapeutic targets. Neuro Oncol. 2008 Oct;10(5):661-74. doi: 10.1215/15228517-2008-035. Epub 2008 Aug 20.@@Tamiji J, Crawford DA: Prostaglandin E(2) and misoprostol induce neurite retraction in Neuro-2a cells. Biochem Biophys Res Commun. 2010 Jul 30;398(3):450-6. doi: 10.1016/j.bbrc.2010.06.098. Epub 2010 Jun 27.@@Legler DF, Bruckner M, Uetz-von Allmen E, Krause P: Prostaglandin E2 at new glance: novel insights in functional diversity offer therapeutic chances. Int J Biochem Cell Biol. 2010 Feb;42(2):198-201. doi: 10.1016/j.biocel.2009.09.015. Epub 2009 Sep 27.@@Sugimoto Y, Narumiya S: Prostaglandin E receptors. J Biol Chem. 2007 Apr 20;282(16):11613-7. Epub 2007 Feb 28.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Prostaglandins and related compounds Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids "Inflammation Mediators; OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Uterotonic agents; OATP1B1/SLCO1B1 Substrates; OAT1/SLC22A6 inhibitors; Eicosanoids; Prostaglandins E; Dinoprostone, antagonists & inhibitors; Fatty Acids; Genito Urinary System and Sex Hormones; Biological Factors; Lipids; OATP2B1/SLCO2B1 substrates; OAT1/SLC22A6 Substrates; Prostaglandins, Synthetic; OAT3/SLC22A8 Inhibitors; Prostaglandins; OCT1 inhibitors; Autacoids; Fatty Acids, Unsaturated; Reproductive Control Agents" CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Naproxen Action Pathway; Ketoprofen Action Pathway; Sulindac Action Pathway; Piroxicam Action Pathway; Phenylbutazone Action Pathway; Nabumetone Action Pathway; Salicylate-Sodium Action Pathway; Acetaminophen Action Pathway; Etoricoxib Action Pathway; Meloxicam Action Pathway; Celecoxib Action Pathway; Lumiracoxib Action Pathway; Suprofen Action Pathway; Indomethacin Action Pathway; Valdecoxib Action Pathway; Ketorolac Action Pathway; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Carprofen Action Pathway; Ibuprofen Action Pathway; Diclofenac Action Pathway; Nepafenac Action Pathway; Salsalate Action Pathway; Etodolac Action Pathway metabolic; drug_action 2161 46505549 D00079 PA449345 DAP000360 Prostaglandin_E2 CHEMBL548 3478 DB00917 Dinoprostone BE0002375 PTGER3 P43115 PE2R3_HUMAN agonist 18715952; 20599704; 19788928; 17329241 "Baryawno N, Sveinbjornsson B, Eksborg S, Orrego A, Segerstrom L, Oqvist CO, Holm S, Gustavsson B, Kagedal B, Kogner P, Johnsen JI: Tumor-growth-promoting cyclooxygenase-2 prostaglandin E2 pathway provides medulloblastoma therapeutic targets. Neuro Oncol. 2008 Oct;10(5):661-74. doi: 10.1215/15228517-2008-035. Epub 2008 Aug 20.@@Tamiji J, Crawford DA: Prostaglandin E(2) and misoprostol induce neurite retraction in Neuro-2a cells. Biochem Biophys Res Commun. 2010 Jul 30;398(3):450-6. doi: 10.1016/j.bbrc.2010.06.098. Epub 2010 Jun 27.@@Legler DF, Bruckner M, Uetz-von Allmen E, Krause P: Prostaglandin E2 at new glance: novel insights in functional diversity offer therapeutic chances. Int J Biochem Cell Biol. 2010 Feb;42(2):198-201. doi: 10.1016/j.biocel.2009.09.015. Epub 2009 Sep 27.@@Sugimoto Y, Narumiya S: Prostaglandin E receptors. J Biol Chem. 2007 Apr 20;282(16):11613-7. Epub 2007 Feb 28." Approved Prostaglandins and related compounds Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids "Inflammation Mediators; OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Uterotonic agents; OATP1B1/SLCO1B1 Substrates; OAT1/SLC22A6 inhibitors; Eicosanoids; Prostaglandins E; Dinoprostone, antagonists & inhibitors; Fatty Acids; Genito Urinary System and Sex Hormones; Biological Factors; Lipids; OATP2B1/SLCO2B1 substrates; OAT1/SLC22A6 Substrates; Prostaglandins, Synthetic; OAT3/SLC22A8 Inhibitors; Prostaglandins; OCT1 inhibitors; Autacoids; Fatty Acids, Unsaturated; Reproductive Control Agents" CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Naproxen Action Pathway; Ketoprofen Action Pathway; Sulindac Action Pathway; Piroxicam Action Pathway; Phenylbutazone Action Pathway; Nabumetone Action Pathway; Salicylate-Sodium Action Pathway; Acetaminophen Action Pathway; Etoricoxib Action Pathway; Meloxicam Action Pathway; Celecoxib Action Pathway; Lumiracoxib Action Pathway; Suprofen Action Pathway; Indomethacin Action Pathway; Valdecoxib Action Pathway; Ketorolac Action Pathway; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Carprofen Action Pathway; Ibuprofen Action Pathway; Diclofenac Action Pathway; Nepafenac Action Pathway; Salsalate Action Pathway; Etodolac Action Pathway metabolic; drug_action 2161 46505549 D00079 PA449345 DAP000360 Prostaglandin_E2 CHEMBL548 3478 DB00920 Ketotifen BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 7893266; 1434122; 16404130; 8836617; 8101246; 18490184 "Mita H, Shida T: Comparison of anti-allergic activities of the histamine H1 receptor antagonists epinastine, ketotifen and oxatomide in human leukocytes. Arzneimittelforschung. 1995 Jan;45(1):36-40.@@Okabe S, Nakaji S, Tachibana M: Effect of ketotifen on acute gastric lesions and gastric secretion in rats. Jpn J Pharmacol. 1992 Jun;59(2):251-4.@@Hashimoto T, Ohata H, Honda K: Lysophosphatidic acid (LPA) induces plasma exudation and histamine release in mice via LPA receptors. J Pharmacol Sci. 2006 Jan;100(1):82-7. Epub 2006 Jan 11.@@Ito K, Sakamoto T, Hayashi Y, Morishita M, Shibata E, Sakai K, Takeuchi Y, Torii S: Role of tachykinin and bradykinin receptors and mast cells in gaseous formaldehyde-induced airway microvascular leakage in rats. Eur J Pharmacol. 1996 Jul 4;307(3):291-8.@@Yokoyama H, Iinuma K, Yanai K, Watanabe T, Sakurai E, Onodera K: Proconvulsant effect of ketotifen, a histamine H1 antagonist, confirmed by the use of d-chlorpheniramine with monitoring electroencephalography. Methods Find Exp Clin Pharmacol. 1993 Apr;15(3):183-8.@@Werner-Klein M, Goggel R, Westhof A, Erb KJ: Development and characterisation of a novel and rapid lung eosinophil influx model in the rat. Pulm Pharmacol Ther. 2008 Aug;21(4):648-56. doi: 10.1016/j.pupt.2008.03.002. Epub 2008 Apr 7." Approved Cycloheptathiophenes Organic compounds; Organoheterocyclic compounds; Cycloheptathiophenes Anti-Allergic Agents; Anti-Asthmatic Agents; Histamine H1 Antagonists; Histamine H1 Inhibitors; Other Antihistamines; Histamine Antagonists; UGT1A3 substrates; Antipruritics; Piperidines; Ophthalmologicals; Decongestants and Antiallergics; UGT1A4 substrates; Antihistamine Drugs; Thiophenes; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Sensory Organs CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12 Ketotifen H1-Antihistamine Action drug_action 1944 46508921 D01332 PA450152 DAP000329 Ketotifen CHEMBL534 6146 DB00921 Buprenorphine BE0000770 OPRM1 P35372 OPRM_HUMAN partial agonist 10729371; 10942856; 11275413; 12435410; 15100703; 11752352 "Kishioka S, Paronis CA, Lewis JW, Woods JH: Buprenorphine and methoclocinnamox: agonist and antagonist effects on respiratory function in rhesus monkeys. Eur J Pharmacol. 2000 Mar 17;391(3):289-97.@@Zubieta J, Greenwald MK, Lombardi U, Woods JH, Kilbourn MR, Jewett DM, Koeppe RA, Schuster CR, Johanson CE: Buprenorphine-induced changes in mu-opioid receptor availability in male heroin-dependent volunteers: a preliminary study. Neuropsychopharmacology. 2000 Sep;23(3):326-34.@@Sanchez-Blazquez P, Gomez-Serranillos P, Garzon J: Agonists determine the pattern of G-protein activation in mu-opioid receptor-mediated supraspinal analgesia. Brain Res Bull. 2001 Jan 15;54(2):229-35.@@Mizoguchi H, Wu HE, Narita M, Hall FS, Sora I, Uhl GR, Nagase H, Tseng LF: Antagonistic property of buprenorphine for putative epsilon-opioid receptor-mediated G-protein activation by beta-endorphin in pons/medulla of the mu-opioid receptor knockout mouse. Neuroscience. 2002;115(3):715-21.@@Ide S, Minami M, Satoh M, Uhl GR, Sora I, Ikeda K: Buprenorphine antinociception is abolished, but naloxone-sensitive reward is retained, in mu-opioid receptor knockout mice. Neuropsychopharmacology. 2004 Sep;29(9):1656-63.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Illicit; Investigational; Vet_approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Narcotics; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Opiate Partial Agonists; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Drugs Used in Opioid Dependence; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opiate Agonists; Oripavine Derivatives; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2C18 Substrates; Phenanthrenes; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Mixed Agonist / Antagonist Opioids; Nervous System; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids" CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4 Buprenorphine Action Pathway drug_action 276 46505782 D07132 PA448685 DAP001353 Buprenorphine CHEMBL560511 1819 DB00921 Buprenorphine BE0000420 OPRD1 P41143 OPRD_HUMAN antagonist 19666890; 16443205; 16169027 "Induru RR, Davis MP: Buprenorphine for neuropathic pain--targeting hyperalgesia. Am J Hosp Palliat Care. 2009 Dec-2010 Jan;26(6):470-3. doi: 10.1177/1049909109341868. Epub 2009 Aug 7.@@Lester PA, Traynor JR: Comparison of the in vitro efficacy of mu, delta, kappa and ORL1 receptor agonists and non-selective opioid agonists in dog brain membranes. Brain Res. 2006 Feb 16;1073-1074:290-6. Epub 2006 Jan 27.@@Megarbane B, Marie N, Pirnay S, Borron SW, Gueye PN, Risede P, Monier C, Noble F, Baud FJ: Buprenorphine is protective against the depressive effects of norbuprenorphine on ventilation. Toxicol Appl Pharmacol. 2006 May 1;212(3):256-67. Epub 2005 Sep 16." Approved; Illicit; Investigational; Vet_approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Narcotics; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Opiate Partial Agonists; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Drugs Used in Opioid Dependence; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opiate Agonists; Oripavine Derivatives; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2C18 Substrates; Phenanthrenes; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Mixed Agonist / Antagonist Opioids; Nervous System; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids" CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4 Buprenorphine Action Pathway drug_action 276 46505782 D07132 PA448685 DAP001353 Buprenorphine CHEMBL560511 1819 DB00921 Buprenorphine BE0002378 OPRL1 P41146 OPRX_HUMAN 10998549; 14614092 "Bloms-Funke P, Gillen C, Schuettler AJ, Wnendt S: Agonistic effects of the opioid buprenorphine on the nociceptin/OFQ receptor. Peptides. 2000 Jul;21(7):1141-6.@@Lutfy K, Eitan S, Bryant CD, Yang YC, Saliminejad N, Walwyn W, Kieffer BL, Takeshima H, Carroll FI, Maidment NT, Evans CJ: Buprenorphine-induced antinociception is mediated by mu-opioid receptors and compromised by concomitant activation of opioid receptor-like receptors. J Neurosci. 2003 Nov 12;23(32):10331-7." Approved; Illicit; Investigational; Vet_approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Narcotics; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Opiate Partial Agonists; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Drugs Used in Opioid Dependence; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opiate Agonists; Oripavine Derivatives; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2C18 Substrates; Phenanthrenes; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Mixed Agonist / Antagonist Opioids; Nervous System; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids" CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4 Buprenorphine Action Pathway drug_action 276 46505782 D07132 PA448685 DAP001353 Buprenorphine CHEMBL560511 1819 DB00922 Levosimendan BE0000436 PDE3A Q14432 PDE3A_HUMAN inhibitor 16116344 "Szilagyi S, Pollesello P, Levijoki J, Haikala H, Bak I, Tosaki A, Borbely A, Edes I, Papp Z: Two inotropes with different mechanisms of action: contractile, PDE-inhibitory and direct myofibrillar effects of levosimendan and enoximone. J Cardiovasc Pharmacol. 2005 Sep;46(3):369-76." Approved; Investigational Phenylhydrazines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines "Antiarrhythmic agents; Hypotensive Agents; Cardiovascular Agents; Pyridazines; Cardiac Stimulants Excl. Cardiac Glycosides; Phosphodiesterase 3 Inhibitors; Cardiac Therapy; Enzyme Inhibitors; QTc Prolonging Agents; Vasodilating Agents; Hydrazones; Protective Agents; Compounds used in a research, industrial, or household setting; Moderate Risk QTc-Prolonging Agents; Hydrazines; Phosphodiesterase Inhibitors; Cardiotonic Agents" C[C@@H]1CC(=O)NN=C1C1=CC=C(NN=C(C#N)C#N)C=C1 46507149 D04720 PA164749138 DAP000797 Levosimendan CHEMBL2051955 73107 DB00924 Cyclobenzaprine BE0000393 HTR2B P41595 5HT2B_HUMAN antagonist 21975349 "Mestres J, Seifert SA, Oprea TI: Linking pharmacology to clinical reports: cyclobenzaprine and its possible association with serotonin syndrome. Clin Pharmacol Ther. 2011 Nov;90(5):662-5. doi: 10.1038/clpt.2011.177. Epub 2011 Oct 5." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Photosensitizing Agents; Benzocycloheptenes; Cytochrome P-450 CYP2D6 Substrates; Musculo-Skeletal System; Agents that reduce seizure threshold; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP1A2 Substrates; Centrally-mediated Muscle Relaxation" CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12 2143 46508313 D07758 PA449160 DAP000891 Cyclobenzaprine CHEMBL669 21949 DB00924 Cyclobenzaprine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 21975349 "Mestres J, Seifert SA, Oprea TI: Linking pharmacology to clinical reports: cyclobenzaprine and its possible association with serotonin syndrome. Clin Pharmacol Ther. 2011 Nov;90(5):662-5. doi: 10.1038/clpt.2011.177. Epub 2011 Oct 5." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Photosensitizing Agents; Benzocycloheptenes; Cytochrome P-450 CYP2D6 Substrates; Musculo-Skeletal System; Agents that reduce seizure threshold; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP1A2 Substrates; Centrally-mediated Muscle Relaxation" CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12 2143 46508313 D07758 PA449160 DAP000891 Cyclobenzaprine CHEMBL669 21949 DB00924 Cyclobenzaprine BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 21975349 "Mestres J, Seifert SA, Oprea TI: Linking pharmacology to clinical reports: cyclobenzaprine and its possible association with serotonin syndrome. Clin Pharmacol Ther. 2011 Nov;90(5):662-5. doi: 10.1038/clpt.2011.177. Epub 2011 Oct 5." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Photosensitizing Agents; Benzocycloheptenes; Cytochrome P-450 CYP2D6 Substrates; Musculo-Skeletal System; Agents that reduce seizure threshold; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP1A2 Substrates; Centrally-mediated Muscle Relaxation" CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12 2143 46508313 D07758 PA449160 DAP000891 Cyclobenzaprine CHEMBL669 21949 DB00924 Cyclobenzaprine BE0003539 AOX1 Q06278 AOXA_HUMAN inhibitor 14681337 "Obach RS, Huynh P, Allen MC, Beedham C: Human liver aldehyde oxidase: inhibition by 239 drugs. J Clin Pharmacol. 2004 Jan;44(1):7-19." Approved Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Photosensitizing Agents; Benzocycloheptenes; Cytochrome P-450 CYP2D6 Substrates; Musculo-Skeletal System; Agents that reduce seizure threshold; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP1A2 Substrates; Centrally-mediated Muscle Relaxation" CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12 2143 46508313 D07758 PA449160 DAP000891 Cyclobenzaprine CHEMBL669 21949 DB00925 Phenoxybenzamine BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 7969082 "Minneman KP, Theroux TL, Hollinger S, Han C, Esbenshade TA: Selectivity of agonists for cloned alpha 1-adrenergic receptor subtypes. Mol Pharmacol. 1994 Nov;46(5):929-36." Approved Phenylmethylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines Hypotensive Agents; Peripheral Vasodilators; Cardiovascular Agents; OCT2 Inhibitors; Amines; Adrenergic Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Neurotransmitter Agents; OCT1 inhibitors; Vasodilating Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Ethylamines; Adrenergic Agents CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1 46507191 PA450919 DAP000478 Phenoxybenzamine CHEMBL753 8149 DB00926 Etretinate BE0000663 RARA P10276 RARA_HUMAN agonist 1965892; 10459139; 8301142; 9074840; 9298126 "Harnish DC, Barua AB, Soprano KJ, Soprano DR: Induction of beta-retinoic acid receptor mRNA by teratogenic doses of retinoids in murine fetuses. Differentiation. 1990 Nov;45(2):103-8.@@Saurat JH: Retinoids and psoriasis: novel issues in retinoid pharmacology and implications for psoriasis treatment. J Am Acad Dermatol. 1999 Sep;41(3 Pt 2):S2-6.@@Zitnik RJ, Kotloff RM, Latifpour J, Zheng T, Whiting NL, Schwalb J, Elias JA: Retinoic acid inhibition of IL-1-induced IL-6 production by human lung fibroblasts. J Immunol. 1994 Feb 1;152(3):1419-27.@@Orfanos CE, Zouboulis CC, Almond-Roesler B, Geilen CC: Current use and future potential role of retinoids in dermatology. Drugs. 1997 Mar;53(3):358-88.@@Billoni N, Gautier B, Mahe YF, Bernard BA: Expression of retinoid nuclear receptor superfamily members in human hair follicles and its implication in hair growth. Acta Derm Venereol. 1997 Sep;77(5):350-5." Withdrawn Retinoid esters Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Hydrocarbons, Acyclic; Retinoids for Treatment of Psoriasis; Biological Factors; Alkenes; Polyenes; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Keratolytic Agents; Dermatologicals; Antipsoriatics; Antipsoriatics for Systemic Use; Carotenoids; Retinoids; Pigments, Biological; Terpenes" CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)C(C)=C(OC)C=C1C 46504486 D00316 PA449554 Etretinate CHEMBL464 4182 DB00926 Etretinate BE0000412 RXRA P19793 RXRA_HUMAN agonist 8301142; 9074840; 9298126 "Zitnik RJ, Kotloff RM, Latifpour J, Zheng T, Whiting NL, Schwalb J, Elias JA: Retinoic acid inhibition of IL-1-induced IL-6 production by human lung fibroblasts. J Immunol. 1994 Feb 1;152(3):1419-27.@@Orfanos CE, Zouboulis CC, Almond-Roesler B, Geilen CC: Current use and future potential role of retinoids in dermatology. Drugs. 1997 Mar;53(3):358-88.@@Billoni N, Gautier B, Mahe YF, Bernard BA: Expression of retinoid nuclear receptor superfamily members in human hair follicles and its implication in hair growth. Acta Derm Venereol. 1997 Sep;77(5):350-5." Withdrawn Retinoid esters Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Hydrocarbons, Acyclic; Retinoids for Treatment of Psoriasis; Biological Factors; Alkenes; Polyenes; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Keratolytic Agents; Dermatologicals; Antipsoriatics; Antipsoriatics for Systemic Use; Carotenoids; Retinoids; Pigments, Biological; Terpenes" CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)C(C)=C(OC)C=C1C 46504486 D00316 PA449554 Etretinate CHEMBL464 4182 DB00926 Etretinate BE0000206 RARB P10826 RARB_HUMAN agonist 8301142; 9298126 "Zitnik RJ, Kotloff RM, Latifpour J, Zheng T, Whiting NL, Schwalb J, Elias JA: Retinoic acid inhibition of IL-1-induced IL-6 production by human lung fibroblasts. J Immunol. 1994 Feb 1;152(3):1419-27.@@Billoni N, Gautier B, Mahe YF, Bernard BA: Expression of retinoid nuclear receptor superfamily members in human hair follicles and its implication in hair growth. Acta Derm Venereol. 1997 Sep;77(5):350-5." Withdrawn Retinoid esters Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Hydrocarbons, Acyclic; Retinoids for Treatment of Psoriasis; Biological Factors; Alkenes; Polyenes; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Keratolytic Agents; Dermatologicals; Antipsoriatics; Antipsoriatics for Systemic Use; Carotenoids; Retinoids; Pigments, Biological; Terpenes" CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)C(C)=C(OC)C=C1C 46504486 D00316 PA449554 Etretinate CHEMBL464 4182 DB00926 Etretinate BE0000707 RXRG P48443 RXRG_HUMAN agonist 17139284; 17016423; 9298126 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Billoni N, Gautier B, Mahe YF, Bernard BA: Expression of retinoid nuclear receptor superfamily members in human hair follicles and its implication in hair growth. Acta Derm Venereol. 1997 Sep;77(5):350-5." Withdrawn Retinoid esters Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Hydrocarbons, Acyclic; Retinoids for Treatment of Psoriasis; Biological Factors; Alkenes; Polyenes; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Keratolytic Agents; Dermatologicals; Antipsoriatics; Antipsoriatics for Systemic Use; Carotenoids; Retinoids; Pigments, Biological; Terpenes" CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)C(C)=C(OC)C=C1C 46504486 D00316 PA449554 Etretinate CHEMBL464 4182 DB00926 Etretinate BE0000144 RARG P13631 RARG_HUMAN agonist 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Withdrawn Retinoid esters Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Hydrocarbons, Acyclic; Retinoids for Treatment of Psoriasis; Biological Factors; Alkenes; Polyenes; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Keratolytic Agents; Dermatologicals; Antipsoriatics; Antipsoriatics for Systemic Use; Carotenoids; Retinoids; Pigments, Biological; Terpenes" CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)C(C)=C(OC)C=C1C 46504486 D00316 PA449554 Etretinate CHEMBL464 4182 DB00927 Famotidine BE0000112 HRH2 P25021 HRH2_HUMAN antagonist 11752352; 19578661; 2887616 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Inan A, Sen M, Surgit O, Ergin M, Bozer M: Effects of the histamine H2 receptor antagonist famotidine on the healing of colonic anastomosis in rats. Clinics (Sao Paulo). 2009;64(6):567-70.@@Chremos AN: Clinical pharmacology of famotidine: a summary. J Clin Gastroenterol. 1987;9 Suppl 2:7-12. doi: 10.1097/00004836-198707002-00003." Approved "2,4-disubstituted thiazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; OAT3/SLC22A8 Substrates; QTc Prolonging Agents; Drugs for Acid Related Disorders; MATE 1 Inhibitors; Gastrointestinal Agents; Anti-Ulcer Agents; Histamine H2 Antagonists; Thiazoles; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP1A2 Inhibitors; Alimentary Tract and Metabolism; Potential QTc-Prolonging Agents; Gastric Acid Lowering Agents; MATE inhibitors; Acid Reducers; OAT3/SLC22A8 Inhibitors; Neurotransmitter Agents; Sulfur Compounds; Histamine Agents NC(N)=NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1 Famotidine Action Pathway drug_action 1395 46507397 D00318 PA449586 DAP000341 Famotidine CHEMBL902 4278 DB00928 Azacitidine BE0000892 DNMT1 P26358 DNMT1_HUMAN inhibitor 11752352; 15793220; 19589026; 14585280; 17612710; 12011120; 16341239; 11700387; 18627335; 20126405; 2443243 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kaminskas E, Farrell AT, Wang YC, Sridhara R, Pazdur R: FDA drug approval summary: azacitidine (5-azacytidine, Vidaza) for injectable suspension. Oncologist. 2005 Mar;10(3):176-82.@@Cataldo VD, Cortes J, Quintas-Cardama A: Azacitidine for the treatment of myelodysplastic syndrome. Expert Rev Anticancer Ther. 2009 Jul;9(7):875-84. doi: 10.1586/era.09.61.@@Leone G, Voso MT, Teofili L, Lubbert M: Inhibitors of DNA methylation in the treatment of hematological malignancies and MDS. Clin Immunol. 2003 Oct;109(1):89-102.@@Ghoshal K, Bai S: DNA methyltransferases as targets for cancer therapy. Drugs Today (Barc). 2007 Jun;43(6):395-422.@@Silverman LR, Demakos EP, Peterson BL, Kornblith AB, Holland JC, Odchimar-Reissig R, Stone RM, Nelson D, Powell BL, DeCastro CM, Ellerton J, Larson RA, Schiffer CA, Holland JF: Randomized controlled trial of azacitidine in patients with the myelodysplastic syndrome: a study of the cancer and leukemia group B. J Clin Oncol. 2002 May 15;20(10):2429-40.@@Fenaux P: Inhibitors of DNA methylation: beyond myelodysplastic syndromes. Nat Clin Pract Oncol. 2005 Dec;2 Suppl 1:S36-44.@@Silverman LR: Targeting hypomethylation of DNA to achieve cellular differentiation in myelodysplastic syndromes (MDS). Oncologist. 2001;6 Suppl 5:8-14.@@O'Dwyer K, Maslak P: Azacitidine and the beginnings of therapeutic epigenetic modulation. Expert Opin Pharmacother. 2008 Aug;9(11):1981-6. doi: 10.1517/14656566.9.11.1981 .@@Hollenbach PW, Nguyen AN, Brady H, Williams M, Ning Y, Richard N, Krushel L, Aukerman SL, Heise C, MacBeth KJ: A comparison of azacitidine and decitabine activities in acute myeloid leukemia cell lines. PLoS One. 2010 Feb 2;5(2):e9001. doi: 10.1371/journal.pone.0009001.@@Glover AB, Leyland-Jones B: Biochemistry of azacitidine: a review. Cancer Treat Rep. 1987 Oct;71(10):959-64." Approved; Investigational Glycosylamines Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Myelosuppressive Agents; Ribonucleosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Noxae; Aza Compounds; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Pyrimidine Analogues; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Cytidine Deaminase Substrates; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Pyrimidines; Narrow Therapeutic Index Drugs; Toxic Actions; Pyrimidine Nucleosides" NC1=NC(=O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 20554 46509032 D03021 PA451996 DAP000640 Azacitidine CHEMBL1489 1251 DB00929 Misoprostol BE0002375 PTGER3 P43115 PE2R3_HUMAN agonist 16039053; 18472336; 12097143; 9313928; 11602631 "Nakae K, Hayashi F, Hayashi M, Yamamoto N, Iino T, Yoshikawa S, Gupta J: Functional role of prostacyclin receptor in rat dorsal root ganglion neurons. Neurosci Lett. 2005 Nov 18;388(3):132-7.@@Li J, Liang X, Wang Q, Breyer RM, McCullough L, Andreasson K: Misoprostol, an anti-ulcer agent and PGE2 receptor agonist, protects against cerebral ischemia. Neurosci Lett. 2008 Jun 20;438(2):210-5. doi: 10.1016/j.neulet.2008.04.054. Epub 2008 Apr 20.@@Guan Y, Stillman BA, Zhang Y, Schneider A, Saito O, Davis LS, Redha R, Breyer RM, Breyer MD: Cloning and expression of the rabbit prostaglandin EP2 receptor. BMC Pharmacol. 2002 Jun 27;2:14.@@Kiriyama M, Ushikubi F, Kobayashi T, Hirata M, Sugimoto Y, Narumiya S: Ligand binding specificities of the eight types and subtypes of the mouse prostanoid receptors expressed in Chinese hamster ovary cells. Br J Pharmacol. 1997 Sep;122(2):217-24.@@Nataraj C, Thomas DW, Tilley SL, Nguyen MT, Mannon R, Koller BH, Coffman TM: Receptors for prostaglandin E(2) that regulate cellular immune responses in the mouse. J Clin Invest. 2001 Oct;108(8):1229-35." Approved Prostaglandins and related compounds Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids "Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Inflammation Mediators; Uterotonic agents; Drugs for Acid Related Disorders; Eicosanoids; Prostaglandins E, Synthetic; Gastrointestinal Agents; Anti-Ulcer Agents; Prostaglandin E1 Analog; Photosensitizing Agents; Abortifacient Agents; Fatty Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Musculo-Skeletal System; Biological Factors; Lipids; Drugs causing inadvertant photosensitivity; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Prostaglandins, Synthetic; Abortifacient Agents, Nonsteroidal; Propionates; Prostaglandins; Autacoids; Fatty Acids, Unsaturated; Reproductive Control Agents" CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 1859 46505041 D00419 PA450523 DAP000358 Misoprostol CHEMBL606 42331 DB00929 Misoprostol BE0000368 PTGER2 P43116 PE2R2_HUMAN agonist 16039053; 18472336; 12097143; 9313928; 11602631 "Nakae K, Hayashi F, Hayashi M, Yamamoto N, Iino T, Yoshikawa S, Gupta J: Functional role of prostacyclin receptor in rat dorsal root ganglion neurons. Neurosci Lett. 2005 Nov 18;388(3):132-7.@@Li J, Liang X, Wang Q, Breyer RM, McCullough L, Andreasson K: Misoprostol, an anti-ulcer agent and PGE2 receptor agonist, protects against cerebral ischemia. Neurosci Lett. 2008 Jun 20;438(2):210-5. doi: 10.1016/j.neulet.2008.04.054. Epub 2008 Apr 20.@@Guan Y, Stillman BA, Zhang Y, Schneider A, Saito O, Davis LS, Redha R, Breyer RM, Breyer MD: Cloning and expression of the rabbit prostaglandin EP2 receptor. BMC Pharmacol. 2002 Jun 27;2:14.@@Kiriyama M, Ushikubi F, Kobayashi T, Hirata M, Sugimoto Y, Narumiya S: Ligand binding specificities of the eight types and subtypes of the mouse prostanoid receptors expressed in Chinese hamster ovary cells. Br J Pharmacol. 1997 Sep;122(2):217-24.@@Nataraj C, Thomas DW, Tilley SL, Nguyen MT, Mannon R, Koller BH, Coffman TM: Receptors for prostaglandin E(2) that regulate cellular immune responses in the mouse. J Clin Invest. 2001 Oct;108(8):1229-35." Approved Prostaglandins and related compounds Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids "Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Inflammation Mediators; Uterotonic agents; Drugs for Acid Related Disorders; Eicosanoids; Prostaglandins E, Synthetic; Gastrointestinal Agents; Anti-Ulcer Agents; Prostaglandin E1 Analog; Photosensitizing Agents; Abortifacient Agents; Fatty Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Musculo-Skeletal System; Biological Factors; Lipids; Drugs causing inadvertant photosensitivity; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Prostaglandins, Synthetic; Abortifacient Agents, Nonsteroidal; Propionates; Prostaglandins; Autacoids; Fatty Acids, Unsaturated; Reproductive Control Agents" CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 1859 46505041 D00419 PA450523 DAP000358 Misoprostol CHEMBL606 42331 DB00934 Maprotiline BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 1353628; 6115693; 6146381 "Noguchi S, Inukai T, Kuno T, Tanaka C: The suppression of olfactory bulbectomy-induced muricide by antidepressants and antihistamines via histamine H1 receptor blocking. Physiol Behav. 1992 Jun;51(6):1123-7.@@Cavero I, Lefevre-Borg F, Roach AG: Effects of mianserin, desipramine and maprotiline on blood pressure responses evoked by acetylcholine, histamine and 5-hydroxytryptamine in rats. Br J Pharmacol. 1981 Sep;74(1):143-8.@@Kanba S, Richelson E: Histamine H1 receptors in human brain labelled with [3H]doxepin. Brain Res. 1984 Jun 18;304(1):1-7." Approved; Investigational Anthracenes Organic compounds; Benzenoids; Anthracenes "QTc Prolonging Agents; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Anthracenes; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21 2274 46508358 D02566 PA450322 DAP001150 Maprotiline CHEMBL21731 6646 DB00934 Maprotiline BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 6297650; 7052344; 6118411 "El-Fakahany E, Richelson E: Antagonism by antidepressants of muscarinic acetylcholine receptors of human brain. Br J Pharmacol. 1983 Jan;78(1):97-102.@@Golds PR, Przyslo FR, Strange PG: The binding of some antidepressant drugs to brain muscarinic acetylcholine receptors. Br J Pharmacol. 1980 Mar;68(3):541-9.@@Doggrell SA, Vincent L: The postsynaptic effects of antidepressant drugs in the rat anococcygeus muscle. J Pharm Pharmacol. 1981 Nov;33(11):720-4." Approved; Investigational Anthracenes Organic compounds; Benzenoids; Anthracenes "QTc Prolonging Agents; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Anthracenes; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21 2274 46508358 D02566 PA450322 DAP001150 Maprotiline CHEMBL21731 6646 DB00934 Maprotiline BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 6297650; 7052344; 6118411 "El-Fakahany E, Richelson E: Antagonism by antidepressants of muscarinic acetylcholine receptors of human brain. Br J Pharmacol. 1983 Jan;78(1):97-102.@@Golds PR, Przyslo FR, Strange PG: The binding of some antidepressant drugs to brain muscarinic acetylcholine receptors. Br J Pharmacol. 1980 Mar;68(3):541-9.@@Doggrell SA, Vincent L: The postsynaptic effects of antidepressant drugs in the rat anococcygeus muscle. J Pharm Pharmacol. 1981 Nov;33(11):720-4." Approved; Investigational Anthracenes Organic compounds; Benzenoids; Anthracenes "QTc Prolonging Agents; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Anthracenes; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21 2274 46508358 D02566 PA450322 DAP001150 Maprotiline CHEMBL21731 6646 DB00934 Maprotiline BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 6297650; 7052344; 6118411 "El-Fakahany E, Richelson E: Antagonism by antidepressants of muscarinic acetylcholine receptors of human brain. Br J Pharmacol. 1983 Jan;78(1):97-102.@@Golds PR, Przyslo FR, Strange PG: The binding of some antidepressant drugs to brain muscarinic acetylcholine receptors. Br J Pharmacol. 1980 Mar;68(3):541-9.@@Doggrell SA, Vincent L: The postsynaptic effects of antidepressant drugs in the rat anococcygeus muscle. J Pharm Pharmacol. 1981 Nov;33(11):720-4." Approved; Investigational Anthracenes Organic compounds; Benzenoids; Anthracenes "QTc Prolonging Agents; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Anthracenes; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21 2274 46508358 D02566 PA450322 DAP001150 Maprotiline CHEMBL21731 6646 DB00934 Maprotiline BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist 9589848; 6086881 "Buckley NA, McManus PR: Can the fatal toxicity of antidepressant drugs be predicted with pharmacological and toxicological data? Drug Saf. 1998 May;18(5):369-81.@@Richelson E, Nelson A: Antagonism by antidepressants of neurotransmitter receptors of normal human brain in vitro. J Pharmacol Exp Ther. 1984 Jul;230(1):94-102." Approved; Investigational Anthracenes Organic compounds; Benzenoids; Anthracenes "QTc Prolonging Agents; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Anthracenes; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21 2274 46508358 D02566 PA450322 DAP001150 Maprotiline CHEMBL21731 6646 DB00934 Maprotiline BE0000533 HTR2C P28335 5HT2C_HUMAN binder 7221567 "Peroutka SJ, Lebovitz RM, Snyder SH: Two distinct central serotonin receptors with different physiological functions. Science. 1981 May 15;212(4496):827-9." Approved; Investigational Anthracenes Organic compounds; Benzenoids; Anthracenes "QTc Prolonging Agents; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Anthracenes; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21 2274 46508358 D02566 PA450322 DAP001150 Maprotiline CHEMBL21731 6646 DB00934 Maprotiline BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 10997731 "Lucchelli A, Santagostino-Barbone MG, D'Agostino G, Masoero E, Tonini M: The interaction of antidepressant drugs with enteric 5-HT7 receptors. Naunyn Schmiedebergs Arch Pharmacol. 2000 Sep;362(3):284-9." Approved; Investigational Anthracenes Organic compounds; Benzenoids; Anthracenes "QTc Prolonging Agents; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Anthracenes; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21 2274 46508358 D02566 PA450322 DAP001150 Maprotiline CHEMBL21731 6646 DB00935 Oxymetazoline BE0000715 ADRA1D P25100 ADA1D_HUMAN agonist 20030735; 23364786; 21948594 "Haenisch B, Walstab J, Herberhold S, Bootz F, Tschaikin M, Ramseger R, Bonisch H: Alpha-adrenoceptor agonistic activity of oxymetazoline and xylometazoline. Fundam Clin Pharmacol. 2010 Dec;24(6):729-39. doi: 10.1111/j.1472-8206.2009.00805.x.@@Akinaga J, Lima V, Kiguti LR, Hebeler-Barbosa F, Alcantara-Hernandez R, Garcia-Sainz JA, Pupo AS: Differential phosphorylation, desensitization, and internalization of alpha1A-adrenoceptors activated by norepinephrine and oxymetazoline. Mol Pharmacol. 2013 Apr;83(4):870-81. doi: 10.1124/mol.112.082313. Epub 2013 Jan 30.@@Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP: ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1100-7. doi: 10.1093/nar/gkr777. Epub 2011 Sep 23." Approved; Investigational Xylenols Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes "Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Dermatologicals; Nasal Decongestants; Autonomic Agents; Sympathomimetics Used as Decongestants; Cardiovascular Agents; Increased Sympathetic Activity; Cytochrome P-450 Substrates; Vasoconstrictor Agents; Imidazoles; Vasoconstriction; Nasal Preparations; Cytochrome P-450 CYP2C19 Substrates; Adrenergic Agonists; Sympathomimetics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Ophthalmologicals; Decongestants and Antiallergics; UGT1A9 Substrates; Neurotransmitter Agents; Sympathomimetics, Plain; Adrenergic Agents; Sensory Organs" CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C 10195 46505622 D08322 PA164748840 DAP000235 Oxymetazoline CHEMBL762 7812 DB00938 Salmeterol BE0001012 ADRB3 P13945 ADRB3_HUMAN inverse agonist 14730417 "Hoffmann C, Leitz MR, Oberdorf-Maass S, Lohse MJ, Klotz KN: Comparative pharmacology of human beta-adrenergic receptor subtypes--characterization of stably transfected receptors in CHO cells. Naunyn Schmiedebergs Arch Pharmacol. 2004 Feb;369(2):151-9. Epub 2004 Jan 17." Approved Benzyl alcohols Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzyl alcohols "Adrenergic beta-Agonists; Selective Beta 2-adrenergic Agonists; OCT2 Inhibitors; Amines; QTc Prolonging Agents; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Autonomic Agents; Amino Alcohols; Cytochrome P-450 CYP2C8 Inhibitors; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Alcohols; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Potential QTc-Prolonging Agents; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Long-acting beta-adrenoceptor agonists; Adrenergic Agonists; Sympathomimetic (Adrenergic) Agents; Phenethylamines; Adrenergics, Inhalants; Agents that produce hypertension; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; OCT1 inhibitors; Ethanolamines; Ethylamines; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP2C8 Inhibitors (strong)" OCC1=C(O)C=CC(=C1)C(O)CNCCCCCCOCCCCC1=CC=CC=C1 11282 46508024 D05792 PA451300 DAP000947 Salmeterol CHEMBL1263 36117 DB00939 Meclofenamic acid BE0000897 KCNQ2 O43526 KCNQ2_HUMAN other 15598972 "Peretz A, Degani N, Nachman R, Uziyel Y, Gibor G, Shabat D, Attali B: Meclofenamic acid and diclofenac, novel templates of KCNQ2/Q3 potassium channel openers, depress cortical neuron activity and exhibit anticonvulsant properties. Mol Pharmacol. 2005 Apr;67(4):1053-66. Epub 2004 Dec 14." Approved; Vet_approved Aminobenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Non COX-2 selective NSAIDS; Sensory System Agents; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; ortho-Aminobenzoates; Nephrotoxic agents; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Benzoates; Drugs that are Mainly Renally Excreted; Aminobenzoates; Thyroxine-binding globulin substrates; Musculo-Skeletal System; Acids, Carbocyclic; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Fenamates; Cyclooxygenase Inhibitors; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Antirheumatic Agents" CC1=C(Cl)C(NC2=CC=CC=C2C(O)=O)=C(Cl)C=C1 2114 46507887 D02341 PA450341 DNC000919 Meclofenamic_acid CHEMBL509 6678 DB00939 Meclofenamic acid BE0002398 KCNQ3 O43525 KCNQ3_HUMAN other 15598972 "Peretz A, Degani N, Nachman R, Uziyel Y, Gibor G, Shabat D, Attali B: Meclofenamic acid and diclofenac, novel templates of KCNQ2/Q3 potassium channel openers, depress cortical neuron activity and exhibit anticonvulsant properties. Mol Pharmacol. 2005 Apr;67(4):1053-66. Epub 2004 Dec 14." Approved; Vet_approved Aminobenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Non COX-2 selective NSAIDS; Sensory System Agents; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; ortho-Aminobenzoates; Nephrotoxic agents; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Benzoates; Drugs that are Mainly Renally Excreted; Aminobenzoates; Thyroxine-binding globulin substrates; Musculo-Skeletal System; Acids, Carbocyclic; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Fenamates; Cyclooxygenase Inhibitors; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Antirheumatic Agents" CC1=C(Cl)C(NC2=CC=CC=C2C(O)=O)=C(Cl)C=C1 2114 46507887 D02341 PA450341 DNC000919 Meclofenamic_acid CHEMBL509 6678 DB00940 Methantheline BE0000112 HRH2 P25021 HRH2_HUMAN antagonist 6116801 "Hough LB, Barker LA: Histamine H2-receptor antagonism by propantheline and derivatives. J Pharmacol Exp Ther. 1981 Nov;219(2):453-8." Approved; Investigational Xanthenes Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans "Anticholinergic Agents; Histamine H2 Antagonists; Muscarinic Antagonists; Acid Reducers; Quaternary Ammonium Compounds; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Onium Compounds; Amines; Drugs for Functional Gastrointestinal Disorders; Gastric Acid Lowering Agents; Histamine Antagonists; Neurotransmitter Agents; Agents producing tachycardia; Cholinergic Agents; Alimentary Tract and Metabolism" CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12 46505807 PA164747037 DAP001109 Methantheline CHEMBL1201264 6821 DB00940 Methantheline BE0000560 CHRM2 P08172 ACM2_HUMAN 17922784; 29938305 "Abrams P, Andersson KE: Muscarinic receptor antagonists for overactive bladder. BJU Int. 2007 Nov;100(5):987-1006. doi: 10.1111/j.1464-410X.2007.07205.x.@@Irmen M, Holze J, Bodefeld T, Trankle C: Characterization of methanthelinium binding and function at human M1-M5 muscarinic acetylcholine receptors. Naunyn Schmiedebergs Arch Pharmacol. 2018 Oct;391(10):1037-1052. doi: 10.1007/s00210-018-1525-1. Epub 2018 Jun 24." Approved; Investigational Xanthenes Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans "Anticholinergic Agents; Histamine H2 Antagonists; Muscarinic Antagonists; Acid Reducers; Quaternary Ammonium Compounds; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Onium Compounds; Amines; Drugs for Functional Gastrointestinal Disorders; Gastric Acid Lowering Agents; Histamine Antagonists; Neurotransmitter Agents; Agents producing tachycardia; Cholinergic Agents; Alimentary Tract and Metabolism" CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12 46505807 PA164747037 DAP001109 Methantheline CHEMBL1201264 6821 DB00940 Methantheline BE0000045 CHRM3 P20309 ACM3_HUMAN 17922784; 29938305 "Abrams P, Andersson KE: Muscarinic receptor antagonists for overactive bladder. BJU Int. 2007 Nov;100(5):987-1006. doi: 10.1111/j.1464-410X.2007.07205.x.@@Irmen M, Holze J, Bodefeld T, Trankle C: Characterization of methanthelinium binding and function at human M1-M5 muscarinic acetylcholine receptors. Naunyn Schmiedebergs Arch Pharmacol. 2018 Oct;391(10):1037-1052. doi: 10.1007/s00210-018-1525-1. Epub 2018 Jun 24." Approved; Investigational Xanthenes Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans "Anticholinergic Agents; Histamine H2 Antagonists; Muscarinic Antagonists; Acid Reducers; Quaternary Ammonium Compounds; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Onium Compounds; Amines; Drugs for Functional Gastrointestinal Disorders; Gastric Acid Lowering Agents; Histamine Antagonists; Neurotransmitter Agents; Agents producing tachycardia; Cholinergic Agents; Alimentary Tract and Metabolism" CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12 46505807 PA164747037 DAP001109 Methantheline CHEMBL1201264 6821 DB00940 Methantheline BE0000247 CHRM5 P08912 ACM5_HUMAN 29938305 "Irmen M, Holze J, Bodefeld T, Trankle C: Characterization of methanthelinium binding and function at human M1-M5 muscarinic acetylcholine receptors. Naunyn Schmiedebergs Arch Pharmacol. 2018 Oct;391(10):1037-1052. doi: 10.1007/s00210-018-1525-1. Epub 2018 Jun 24." Approved; Investigational Xanthenes Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans "Anticholinergic Agents; Histamine H2 Antagonists; Muscarinic Antagonists; Acid Reducers; Quaternary Ammonium Compounds; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Onium Compounds; Amines; Drugs for Functional Gastrointestinal Disorders; Gastric Acid Lowering Agents; Histamine Antagonists; Neurotransmitter Agents; Agents producing tachycardia; Cholinergic Agents; Alimentary Tract and Metabolism" CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12 46505807 PA164747037 DAP001109 Methantheline CHEMBL1201264 6821 DB00941 Hexafluronium BE0002180 BCHE P06276 CHLE_HUMAN inhibitor 948350; 11752352 "Schuh FR: Interaction of hexafluorenium with human plasma cholinesterase in comparison with hexamethonium. Naunyn Schmiedebergs Arch Pharmacol. 1976;293(1):11-3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Hexamethonium compounds Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts "Anticholinergic Agents; Quaternary Ammonium Compounds; Musculo-Skeletal System; Nicotinic Antagonists; Amines; Central Nervous System Depressants; Muscle Relaxants; Onium Compounds; Cholinesterase Inhibitors; Neurotransmitter Agents; Bis-Trimethylammonium Compounds; Cholinergic Agents; Muscle Relaxants, Peripherally Acting Agents" C[N+](C)(CCCCCC[N+](C)(C)C1C2=C(C=CC=C2)C2=C1C=CC=C2)C1C2=C(C=CC=C2)C2=C1C=CC=C2 46507171 D04435 PA164743020 DAP000963 Hexafluronium_bromide CHEMBL1201349 26826 DB00944 Demecarium BE0002180 BCHE P06276 CHLE_HUMAN inhibitor 7196602; 8430939 "Meiniel R: Neuromuscular blocking agents and axial teratogenesis in the avian embryo. Can axial morphogenetic disorders by explained by pharmacological action upon muscle tissue? Teratology. 1981 Apr;23(2):259-71.@@Gum GG, Gelatt KN, Gelatt JK, Jones R: Effect of topically applied demecarium bromide and echothiophate iodide on intraocular pressure and pupil size in beagles with normotensive eyes and beagles with inherited glaucoma. Am J Vet Res. 1993 Feb;54(2):287-93." Approved Phenoxy compounds Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxy compounds Nitrogen Compounds; Parasympathomimetics; Onium Compounds; Amines; Enzyme Inhibitors; Ophthalmologicals; Cholinesterase Inhibitors; Neurotransmitter Agents; Ammonium Compounds; Antiglaucoma Preparations and Miotics; Cholinergic Agents; Sensory Organs CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C 46507824 D00667 PA164745610 DAP000894 Demecarium_bromide CHEMBL1201229 107771 DB00945 Acetylsalicylic acid BE0004907 PRKAA1 Q9UGI9 AAKG3_HUMAN activator 22406476; 22517326; 23871515 "Din FV, Valanciute A, Houde VP, Zibrova D, Green KA, Sakamoto K, Alessi DR, Dunlop MG: Aspirin inhibits mTOR signaling, activates AMP-activated protein kinase, and induces autophagy in colorectal cancer cells. Gastroenterology. 2012 Jun;142(7):1504-15.e3. doi: 10.1053/j.gastro.2012.02.050. Epub 2012 Mar 6.@@Hawley SA, Fullerton MD, Ross FA, Schertzer JD, Chevtzoff C, Walker KJ, Peggie MW, Zibrova D, Green KA, Mustard KJ, Kemp BE, Sakamoto K, Steinberg GR, Hardie DG: The ancient drug salicylate directly activates AMP-activated protein kinase. Science. 2012 May 18;336(6083):918-22. doi: 10.1126/science.1215327. Epub 2012 Apr 19.@@Steinberg GR, Dandapani M, Hardie DG: AMPK: mediating the metabolic effects of salicylate-based drugs? Trends Endocrinol Metab. 2013 Oct;24(10):481-7. doi: 10.1016/j.tem.2013.06.002. Epub 2013 Jul 19." Approved; Vet_approved Acylsalicylic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Non COX-2 selective NSAIDS; Sensory System Agents; Anti-Inflammatory Agents; Agents causing angioedema; Nephrotoxic agents; P-glycoprotein inducers; Hydroxybenzoates; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antipyretics; Platelet Aggregation Inhibitors Excl. Heparin; Drugs that are Mainly Renally Excreted; Salicylates; Stomatological Preparations; Decreased Prostaglandin Production; P-glycoprotein substrates; Antiplatelet agents; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Musculo-Skeletal System; Acids, Carbocyclic; Blood and Blood Forming Organs; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Decreased Platelet Aggregation; Cyclooxygenase Inhibitors; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Salicylic Acid and Derivatives; Hematologic Agents; UGT1A6 substrate" CC(=O)OC1=CC=CC=C1C(O)=O Acetylsalicylic Acid Action Pathway drug_action 150 46505803 D00109 PA448497 DAP000843 Aspirin CHEMBL25 1191 DB00945 Acetylsalicylic acid BE0003380 TP53 P04637 P53_HUMAN inducer 21475861; 26596838; 24726874; 12535653; 17510082 "Alfonso LF, Srivenugopal KS, Bhat GJ: Does aspirin acetylate multiple cellular proteins? (Review). Mol Med Rep. 2009 Jul-Aug;2(4):533-7. doi: 10.3892/mmr_00000132.@@Ai G, Dachineni R, Kumar DR, Marimuthu S, Alfonso LF, Bhat GJ: Aspirin acetylates wild type and mutant p53 in colon cancer cells: identification of aspirin acetylated sites on recombinant p53. Tumour Biol. 2016 May;37(5):6007-16. doi: 10.1007/s13277-015-4438-3. Epub 2015 Nov 23.@@Su YF, Yang SH, Lee YH, Wu BC, Huang SC, Liu CM, Chen SL, Pan YF, Chou SS, Chou MY, Yang HW: Aspirin-induced inhibition of adipogenesis was p53-dependent and associated with inactivation of pentose phosphate pathway. Eur J Pharmacol. 2014 Sep 5;738:101-10. doi: 10.1016/j.ejphar.2014.03.009. Epub 2014 Apr 12.@@Ranganathan S, Joseph J, Mehta JL: Aspirin inhibits human coronary artery endothelial cell proliferation by upregulation of p53. Biochem Biophys Res Commun. 2003 Jan 31;301(1):143-6.@@Luciani MG, Campregher C, Gasche C: Aspirin blocks proliferation in colon cells by inducing a G1 arrest and apoptosis through activation of the checkpoint kinase ATM. Carcinogenesis. 2007 Oct;28(10):2207-17. doi: 10.1093/carcin/bgm101. Epub 2007 May 17." Approved; Vet_approved Acylsalicylic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Non COX-2 selective NSAIDS; Sensory System Agents; Anti-Inflammatory Agents; Agents causing angioedema; Nephrotoxic agents; P-glycoprotein inducers; Hydroxybenzoates; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antipyretics; Platelet Aggregation Inhibitors Excl. Heparin; Drugs that are Mainly Renally Excreted; Salicylates; Stomatological Preparations; Decreased Prostaglandin Production; P-glycoprotein substrates; Antiplatelet agents; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Musculo-Skeletal System; Acids, Carbocyclic; Blood and Blood Forming Organs; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Decreased Platelet Aggregation; Cyclooxygenase Inhibitors; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Salicylic Acid and Derivatives; Hematologic Agents; UGT1A6 substrate" CC(=O)OC1=CC=CC=C1C(O)=O Acetylsalicylic Acid Action Pathway drug_action 150 46505803 D00109 PA448497 DAP000843 Aspirin CHEMBL25 1191 DB00945 Acetylsalicylic acid BE0004876 RPS6KA3 P51812 KS6A3_HUMAN inhibitor 10553090; 21142801; 9817196 "Stevenson MA, Zhao MJ, Asea A, Coleman CN, Calderwood SK: Salicylic acid and aspirin inhibit the activity of RSK2 kinase and repress RSK2-dependent transcription of cyclic AMP response element binding protein- and NF-kappa B-responsive genes. J Immunol. 1999 Nov 15;163(10):5608-16.@@Stratford AL, Dunn SE: The promise and challenges of targeting RSK for the treatment of cancer. Expert Opin Ther Targets. 2011 Jan;15(1):1-4. doi: 10.1517/14728222.2011.537656.@@O'Neill EA: A new target for aspirin. Nature. 1998 Nov 5;396(6706):15, 17. doi: 10.1038/23810." Approved; Vet_approved Acylsalicylic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Non COX-2 selective NSAIDS; Sensory System Agents; Anti-Inflammatory Agents; Agents causing angioedema; Nephrotoxic agents; P-glycoprotein inducers; Hydroxybenzoates; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antipyretics; Platelet Aggregation Inhibitors Excl. Heparin; Drugs that are Mainly Renally Excreted; Salicylates; Stomatological Preparations; Decreased Prostaglandin Production; P-glycoprotein substrates; Antiplatelet agents; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Musculo-Skeletal System; Acids, Carbocyclic; Blood and Blood Forming Organs; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Decreased Platelet Aggregation; Cyclooxygenase Inhibitors; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Salicylic Acid and Derivatives; Hematologic Agents; UGT1A6 substrate" CC(=O)OC1=CC=CC=C1C(O)=O Acetylsalicylic Acid Action Pathway drug_action 150 46505803 D00109 PA448497 DAP000843 Aspirin CHEMBL25 1191 DB00945 Acetylsalicylic acid BE0001162 CASP3 P42574 CASP3_HUMAN inhibitor 24874482; 23110215 "Alfonso L, Ai G, Spitale RC, Bhat GJ: Molecular targets of aspirin and cancer prevention. Br J Cancer. 2014 Jul 8;111(1):61-7. doi: 10.1038/bjc.2014.271. Epub 2014 May 29.@@Pathi S, Jutooru I, Chadalapaka G, Nair V, Lee SO, Safe S: Aspirin inhibits colon cancer cell and tumor growth and downregulates specificity protein (Sp) transcription factors. PLoS One. 2012;7(10):e48208. doi: 10.1371/journal.pone.0048208. Epub 2012 Oct 26." Approved; Vet_approved Acylsalicylic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Non COX-2 selective NSAIDS; Sensory System Agents; Anti-Inflammatory Agents; Agents causing angioedema; Nephrotoxic agents; P-glycoprotein inducers; Hydroxybenzoates; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antipyretics; Platelet Aggregation Inhibitors Excl. Heparin; Drugs that are Mainly Renally Excreted; Salicylates; Stomatological Preparations; Decreased Prostaglandin Production; P-glycoprotein substrates; Antiplatelet agents; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Musculo-Skeletal System; Acids, Carbocyclic; Blood and Blood Forming Organs; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Decreased Platelet Aggregation; Cyclooxygenase Inhibitors; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Salicylic Acid and Derivatives; Hematologic Agents; UGT1A6 substrate" CC(=O)OC1=CC=CC=C1C(O)=O Acetylsalicylic Acid Action Pathway drug_action 150 46505803 D00109 PA448497 DAP000843 Aspirin CHEMBL25 1191 DB00945 Acetylsalicylic acid BE0001154 IKBKB O14920 IKKB_HUMAN 24874482; 10779355; 29079505; 21797846; 11160126; 14755344 "Alfonso L, Ai G, Spitale RC, Bhat GJ: Molecular targets of aspirin and cancer prevention. Br J Cancer. 2014 Jul 8;111(1):61-7. doi: 10.1038/bjc.2014.271. Epub 2014 May 29.@@Yamamoto Y, Yin MJ, Gaynor RB: IkappaB kinase alpha (IKKalpha) regulation of IKKbeta kinase activity. Mol Cell Biol. 2000 May;20(10):3655-66.@@Konig HG, Watters O, Kinsella S, Ameen M, Fenner BJ, Prehn JHM: A constitutively-active IKK-complex at the axon initial segment. Brain Res. 2018 Jan 1;1678:356-366. doi: 10.1016/j.brainres.2017.10.020. Epub 2017 Oct 24.@@Gamble C, McIntosh K, Scott R, Ho KH, Plevin R, Paul A: Inhibitory kappa B Kinases as targets for pharmacological regulation. Br J Pharmacol. 2012 Feb;165(4):802-19. doi: 10.1111/j.1476-5381.2011.01608.x.@@Yamamoto Y, Gaynor RB: Therapeutic potential of inhibition of the NF-kappaB pathway in the treatment of inflammation and cancer. J Clin Invest. 2001 Jan;107(2):135-42. doi: 10.1172/JCI11914.@@Rohl M, Pasparakis M, Baudler S, Baumgartl J, Gautam D, Huth M, De Lorenzi R, Krone W, Rajewsky K, Bruning JC: Conditional disruption of IkappaB kinase 2 fails to prevent obesity-induced insulin resistance. J Clin Invest. 2004 Feb;113(3):474-81. doi: 10.1172/JCI18712." Approved; Vet_approved Acylsalicylic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Non COX-2 selective NSAIDS; Sensory System Agents; Anti-Inflammatory Agents; Agents causing angioedema; Nephrotoxic agents; P-glycoprotein inducers; Hydroxybenzoates; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antipyretics; Platelet Aggregation Inhibitors Excl. Heparin; Drugs that are Mainly Renally Excreted; Salicylates; Stomatological Preparations; Decreased Prostaglandin Production; P-glycoprotein substrates; Antiplatelet agents; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Musculo-Skeletal System; Acids, Carbocyclic; Blood and Blood Forming Organs; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Decreased Platelet Aggregation; Cyclooxygenase Inhibitors; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Salicylic Acid and Derivatives; Hematologic Agents; UGT1A6 substrate" CC(=O)OC1=CC=CC=C1C(O)=O Acetylsalicylic Acid Action Pathway drug_action 150 46505803 D00109 PA448497 DAP000843 Aspirin CHEMBL25 1191 DB00947 Fulvestrant BE0000123 ESR1 P03372 ESR1_HUMAN antagonist 11398912; 11922402; 12080538; 12113237; 12542403; 11752352; 20151846; 15018596; 15865850 "Curran M, Wiseman L: Fulvestrant. Drugs. 2001;61(6):807-13; discussion 814.@@Elkak AE, Mokbel K: Pure antiestrogens and breast cancer. Curr Med Res Opin. 2001;17(4):282-9.@@Dow KH: Existing and emerging endocrine therapies for breast cancer. Cancer Nurs. 2002 Apr;25 Suppl 2:6S-11S.@@Bundred N, Howell A: Fulvestrant (Faslodex): current status in the therapy of breast cancer. Expert Rev Anticancer Ther. 2002 Apr;2(2):151-60.@@Morris C, Wakeling A: Fulvestrant ('Faslodex')--a new treatment option for patients progressing on prior endocrine therapy. Endocr Relat Cancer. 2002 Dec;9(4):267-76.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kabos P, Borges VF: Fulvestrant: a unique antiendocrine agent for estrogen-sensitive breast cancer. Expert Opin Pharmacother. 2010 Apr;11(5):807-16. doi: 10.1517/14656561003641982.@@McKeage K, Curran MP, Plosker GL: Fulvestrant: a review of its use in hormone receptor-positive metastatic breast cancer in postmenopausal women with disease progression following antiestrogen therapy. Drugs. 2004;64(6):633-48.@@Jones SE, Pippen J: Effectiveness and tolerability of fulvestrant in postmenopausal women with hormone receptor-positive breast cancer. Clin Breast Cancer. 2005 Apr;6 Suppl 1:S9-14." Approved; Investigational Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Cytochrome P-450 CYP3A Substrates; Hormone Antagonists; Estradiol Congeners; Estrogen Receptor Antagonists; Estrenes; Anti-Estrogens; Cytochrome P-450 Substrates; Estranes; Steroids; Estrogen Antagonists; Antineoplastic Agents; Hormones; Fused-Ring Compounds; Gonadal Hormones; Cytochrome P-450 CYP3A4 Substrates; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Gonadal Steroid Hormones; Endocrine Therapy; UGT1A1 Substrates; Antineoplastic Agents, Hormonal; Hormone Antagonists and Related Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H] 13276 46508664 D01161 PA164747170 DAP000319 Fulvestrant CHEMBL1358 282357 DB00949 Felbamate BE0000417 GRIN2B Q13224 NMDE2_HUMAN antagonist 10215667; 10690753; 11752352; 18311896; 18253065 "Kleckner NW, Glazewski JC, Chen CC, Moscrip TD: Subtype-selective antagonism of N-methyl-D-aspartate receptors by felbamate: insights into the mechanism of action. J Pharmacol Exp Ther. 1999 May;289(2):886-94.@@Harty TP, Rogawski MA: Felbamate block of recombinant N-methyl-D-aspartate receptors: selectivity for the NR2B subunit. Epilepsy Res. 2000 Mar;39(1):47-55.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Chang HR, Kuo CC: Molecular determinants of the anticonvulsant felbamate binding site in the N-methyl-D-aspartate receptor. J Med Chem. 2008 Mar 27;51(6):1534-45. doi: 10.1021/jm0706618. Epub 2008 Feb 27.@@Luszczki JJ, Danysz W, Czuczwar SJ: Interactions of MRZ 2/576 with felbamate, lamotrigine, oxcarbazepine and topiramate in the mouse maximal electroshock-induced seizure model. Pharmacology. 2008;81(3):259-65. doi: 10.1159/000114870. Epub 2008 Feb 4." Approved Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Excitatory Amino Acid Antagonists; Glycols; Carbamates; Alcohols; Phenylcarbamates; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Inducers (weak); Propylene Glycols; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants" NC(=O)OCC(COC(N)=O)C1=CC=CC=C1 Felbamate Metabolism Pathway drug_metabolism 46506375 D00536 PA449590 DAP000093 Felbamate CHEMBL1094 24812 DB00949 Felbamate BE0000760 GRIN2A Q12879 NMDE1_HUMAN antagonist 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Excitatory Amino Acid Antagonists; Glycols; Carbamates; Alcohols; Phenylcarbamates; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Inducers (weak); Propylene Glycols; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants" NC(=O)OCC(COC(N)=O)C1=CC=CC=C1 Felbamate Metabolism Pathway drug_metabolism 46506375 D00536 PA449590 DAP000093 Felbamate CHEMBL1094 24812 DB00950 Fexofenadine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 18336052; 19545214 "Devillier P, Roche N, Faisy C: Clinical pharmacokinetics and pharmacodynamics of desloratadine, fexofenadine and levocetirizine : a comparative review. Clin Pharmacokinet. 2008;47(4):217-30.@@Smith SM, Gums JG: Fexofenadine: biochemical, pharmacokinetic and pharmacodynamic properties and its unique role in allergic disorders. Expert Opin Drug Metab Toxicol. 2009 Jul;5(7):813-22. doi: 10.1517/17425250903044967." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Anti-Allergic Agents; Piperidines; OAT3/SLC22A8 Substrates; OATP1B3 substrates; Histamine Antagonists; Neurotransmitter Agents; OATP2B1/SLCO2B1 substrates; Histamine H1 Antagonists; Histamine H1 Antagonists, Non-Sedating; OATP1B1/SLCO1B1 Substrates; Benzhydryl Compounds; Antihistamines for Systemic Use; Histamine Agents; Benzene Derivatives; P-glycoprotein substrates" CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 Fexofenadine H1-Antihistamine Action drug_action 11456 46504676 D07958 PA449621 DAP000330 Fexofenadine CHEMBL914 87636 DB00951 Isoniazid BE0003536 CYP2C19 P33261 CP2CJ_HUMAN 16248836 "Fontana E, Dansette PM, Poli SM: Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity. Curr Drug Metab. 2005 Oct;6(5):413-54." Approved; Investigational Pyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (moderate); Isonicotinic Acids; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (moderate); Anti-Bacterial Agents; Hyperglycemia-Associated Agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2E1 Inducers; Antiinfectives for Systemic Use; Pyridines; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Drugs for Treatment of Tuberculosis; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Hydrazines; Drugs that are Mainly Renally Excreted; Fatty Acid Synthesis Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Hydrazides; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Agents that reduce seizure threshold; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antimycobacterials; Cytochrome P-450 CYP2C19 Inhibitors (strong); Hypolipidemic Agents; Cytochrome P-450 CYP2E1 Inhibitors; Anti-Infective Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) NNC(=O)C1=CC=NC=C1 6618 46506039 D00346 PA450112 DAP000011 Isoniazid CHEMBL64 6038 DB00953 Rizatriptan BE0000476 HTR1E P28566 5HT1E_HUMAN agonist Approved Tryptamines and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Selective Serotonin Agonists; Triptans; Drugs that are Mainly Renally Excreted; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Migraine Disorders; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Nervous System" CN(C)CCC1=CNC2=C1C=C(CN1C=NC=N1)C=C2 11899 46506557 D00675 PA451264 DAP000220 Rizatriptan CHEMBL905 88014 DB00953 Rizatriptan BE0000650 HTR7 P34969 5HT7R_HUMAN agonist Approved Tryptamines and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Selective Serotonin Agonists; Triptans; Drugs that are Mainly Renally Excreted; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Migraine Disorders; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Nervous System" CN(C)CCC1=CNC2=C1C=C(CN1C=NC=N1)C=C2 11899 46506557 D00675 PA451264 DAP000220 Rizatriptan CHEMBL905 88014 DB00956 Hydrocodone BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 11752352; 10640321; 16291875; 2849950; 14600248; 20665209; 18606504; 31170174 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kotzer CJ, Hay DW, Dondio G, Giardina G, Petrillo P, Underwood DC: The antitussive activity of delta-opioid receptor stimulation in guinea pigs. J Pharmacol Exp Ther. 2000 Feb;292(2):803-9.@@Peckham EM, Traynor JR: Comparison of the antinociceptive response to morphine and morphine-like compounds in male and female Sprague-Dawley rats. J Pharmacol Exp Ther. 2006 Mar;316(3):1195-201. Epub 2005 Nov 16.@@Hennies HH, Friderichs E, Schneider J: Receptor binding, analgesic and antitussive potency of tramadol and other selected opioids. Arzneimittelforschung. 1988 Jul;38(7):877-80.@@Thompson CM, Wojno H, Greiner E, May EL, Rice KC, Selley DE: Activation of G-proteins by morphine and codeine congeners: insights to the relevance of O- and N-demethylated metabolites at mu- and delta-opioid receptors. J Pharmacol Exp Ther. 2004 Feb;308(2):547-54. Epub 2003 Nov 4.@@Stoops WW, Hatton KW, Lofwall MR, Nuzzo PA, Walsh SL: Intravenous oxycodone, hydrocodone, and morphine in recreational opioid users: abuse potential and relative potencies. Psychopharmacology (Berl). 2010 Oct;212(2):193-203. doi: 10.1007/s00213-010-1942-4. Epub 2010 Jul 28.@@Walsh SL, Nuzzo PA, Lofwall MR, Holtman JR Jr: The relative abuse liability of oral oxycodone, hydrocodone and hydromorphone assessed in prescription opioid abusers. Drug Alcohol Depend. 2008 Dec 1;98(3):191-202. doi: 10.1016/j.drugalcdep.2008.05.007. Epub 2008 Jul 7.@@Olson KM, Duron DI, Womer D, Fell R, Streicher JM: Comprehensive molecular pharmacology screening reveals potential new receptor interactions for clinically relevant opioids. PLoS One. 2019 Jun 6;14(6):e0217371. doi: 10.1371/journal.pone.0217371. eCollection 2019." Approved; Illicit; Investigational Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Sensory System Agents; Semi-synthetic Opioids; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Cytochrome P-450 CYP2C19 Substrates; Morphine Derivatives; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Opioid Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Morphinans; Central Nervous System Agents; Cough and Cold Preparations; Opiate Alkaloids; Opioids" [H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O Hydrocodone Action Pathway drug_action 6161 46506225 D08045 PA449900 DAP000253 Hydrocodone CHEMBL1457 5489 DB00956 Hydrocodone BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 14600248; 31170174 "Thompson CM, Wojno H, Greiner E, May EL, Rice KC, Selley DE: Activation of G-proteins by morphine and codeine congeners: insights to the relevance of O- and N-demethylated metabolites at mu- and delta-opioid receptors. J Pharmacol Exp Ther. 2004 Feb;308(2):547-54. Epub 2003 Nov 4.@@Olson KM, Duron DI, Womer D, Fell R, Streicher JM: Comprehensive molecular pharmacology screening reveals potential new receptor interactions for clinically relevant opioids. PLoS One. 2019 Jun 6;14(6):e0217371. doi: 10.1371/journal.pone.0217371. eCollection 2019." Approved; Illicit; Investigational Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Sensory System Agents; Semi-synthetic Opioids; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Cytochrome P-450 CYP2C19 Substrates; Morphine Derivatives; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Opioid Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Morphinans; Central Nervous System Agents; Cough and Cold Preparations; Opiate Alkaloids; Opioids" [H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O Hydrocodone Action Pathway drug_action 6161 46506225 D08045 PA449900 DAP000253 Hydrocodone CHEMBL1457 5489 DB00957 Norgestimate BE0000557 PGR P06401 PRGR_HUMAN agonist 1324557; 17107221; 7750291; 8384965; 11752352 "London RS, Chapdelaine A, Upmalis D, Olson W, Smith J: Comparative contraceptive efficacy and mechanism of action of the norgestimate-containing triphasic oral contraceptive. Acta Obstet Gynecol Scand Suppl. 1992;156:9-14.@@Graziottin A: A review of transdermal hormonal contraception : focus on the ethinylestradiol/norelgestromin contraceptive patch. Treat Endocrinol. 2006;5(6):359-65.@@Kuhnz W, Fritzemeier KH, Hegele-Hartung C, Krattenmacher R: Comparative progestational activity of norgestimate, levonorgestrel-oxime and levonorgestrel in the rat and binding of these compounds to the progesterone receptor. Contraception. 1995 Feb;51(2):131-9.@@Juchem M, Pollow K, Elger W, Hoffmann G, Mobus V: Receptor binding of norgestimate--a new orally active synthetic progestational compound. Contraception. 1993 Mar;47(3):283-94.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Norpregnenes; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Steroids; Norpregnanes; Fused-Ring Compounds; P-glycoprotein inhibitors; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents" [H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O 7492 46507381 D05209 PA164744346 DAP001210 Norgestimate CHEMBL1200934 31994 DB00957 Norgestimate BE0000123 ESR1 P03372 ESR1_HUMAN agonist 14670645; 2175153; 14672731; 25970022 "Pasqualini JR: Differential effects of progestins on breast tissue enzymes. Maturitas. 2003 Dec 10;46 Suppl 1:S45-54.@@Juchem M, Pollow K: Binding of oral contraceptive progestogens to serum proteins and cytoplasmic receptor. Am J Obstet Gynecol. 1990 Dec;163(6 Pt 2):2171-83. doi: 10.1016/0002-9378(90)90559-p.@@Shields-Botella J, Duc I, Duranti E, Puccio F, Bonnet P, Delansorne R, Paris J: An overview of nomegestrol acetate selective receptor binding and lack of estrogenic action on hormone-dependent cancer cells. J Steroid Biochem Mol Biol. 2003 Nov;87(2-3):111-22.@@Paris F, Balaguer P, Rimbault F, Gaspari L, Sultan C: Molecular action of norgestimate: new developments. Gynecol Endocrinol. 2015 Jun;31(6):487-90. doi: 10.3109/09513590.2015.1016904. Epub 2015 May 13." Approved; Investigational Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Norpregnenes; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Steroids; Norpregnanes; Fused-Ring Compounds; P-glycoprotein inhibitors; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents" [H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O 7492 46507381 D05209 PA164744346 DAP001210 Norgestimate CHEMBL1200934 31994 DB00957 Norgestimate BE0000132 AR P10275 ANDR_HUMAN partial agonist 15625768 "Prifti S, Lelle I, Strowitzki T, Rabe T: Induction of androgen receptor activity by norgestimate and norelgestromin in MDA-MB 231 breast cancer cells. Gynecol Endocrinol. 2004 Jul;19(1):18-21." Approved; Investigational Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Norpregnenes; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Steroids; Norpregnanes; Fused-Ring Compounds; P-glycoprotein inhibitors; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents" [H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O 7492 46507381 D05209 PA164744346 DAP001210 Norgestimate CHEMBL1200934 31994 DB00959 Methylprednisolone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 17182172; 17016711; 17068119; 17251323; 11752352 "Owen HC, Miner JN, Ahmed SF, Farquharson C: The growth plate sparing effects of the selective glucocorticoid receptor modulator, AL-438. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):164-70. Epub 2006 Dec 19.@@Juruena MF, Cleare AJ, Papadopoulos AS, Poon L, Lightman S, Pariante CM: Different responses to dexamethasone and prednisolone in the same depressed patients. Psychopharmacology (Berl). 2006 Dec;189(2):225-35. Epub 2006 Oct 3.@@Boivin MA, Ye D, Kennedy JC, Al-Sadi R, Shepela C, Ma TY: Mechanism of glucocorticoid regulation of the intestinal tight junction barrier. Am J Physiol Gastrointest Liver Physiol. 2007 Feb;292(2):G590-8. Epub 2006 Oct 26.@@Quesnell RR, Han X, Schultz BD: Glucocorticoids stimulate ENaC upregulation in bovine mammary epithelium. Am J Physiol Cell Physiol. 2007 May;292(5):C1739-45. Epub 2007 Jan 24.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Anti-Acne Preparations for Topical Use; Pregnanes; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Protective Agents; Corticosteroids for Systemic Use, Plain; Dermatologicals; P-glycoprotein inducers; Autonomic Agents; Gastrointestinal Agents; Corticosteroids, Weak (Group I); Neuroprotective Agents; Anti-Acne Preparations; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Pregnadienetriols; Steroids; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Ophthalmological and Otological Preparations; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Ophthalmologicals; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Antiemetics; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP2C9 Inducers; Pregnadienes; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C 7621 46504885 D00407 PA450466 DAP001040 Methylprednisolone CHEMBL650 6902 DB00959 Methylprednisolone BE0000422 ANXA1 P04083 ANXA1_HUMAN agonist 8060156 "Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72." Approved; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Anti-Acne Preparations for Topical Use; Pregnanes; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Protective Agents; Corticosteroids for Systemic Use, Plain; Dermatologicals; P-glycoprotein inducers; Autonomic Agents; Gastrointestinal Agents; Corticosteroids, Weak (Group I); Neuroprotective Agents; Anti-Acne Preparations; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Pregnadienetriols; Steroids; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Ophthalmological and Otological Preparations; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Ophthalmologicals; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Antiemetics; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP2C9 Inducers; Pregnadienes; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C 7621 46504885 D00407 PA450466 DAP001040 Methylprednisolone CHEMBL650 6902 DB00960 Pindolol BE0001012 ADRB3 P13945 ADRB3_HUMAN agonist 14730417; 1682311 "Hoffmann C, Leitz MR, Oberdorf-Maass S, Lohse MJ, Klotz KN: Comparative pharmacology of human beta-adrenergic receptor subtypes--characterization of stably transfected receptors in CHO cells. Naunyn Schmiedebergs Arch Pharmacol. 2004 Feb;369(2):151-9. Epub 2004 Jan 17.@@Feve B, Emorine LJ, Lasnier F, Blin N, Baude B, Nahmias C, Strosberg AD, Pairault J: Atypical beta-adrenergic receptor in 3T3-F442A adipocytes. Pharmacological and molecular relationship with the human beta 3-adrenergic receptor. J Biol Chem. 1991 Oct 25;266(30):20329-36." Approved; Investigational Indoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles "Cytochrome P-450 CYP2D6 Inhibitors; Amines; Serotonin 5-HT1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Phenoxypropanolamines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; OCT2 Substrates; Hypotensive Agents; Amino Alcohols; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Alcohols; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Vasodilating Agents; Propanols; Beta Blocking Agents, Non-Selective; Propanolamines; Serotonin Agents; Adrenergic beta-Antagonists; Neurotransmitter Agents; Bradycardia-Causing Agents; Adrenergic Agents" CC(C)NCC(O)COC1=CC=CC2=C1C=CN2 Pindolol Action Pathway drug_action 2144 46508362 D00513 PA450966 DAP000025 Pindolol CHEMBL500 8332 DB00962 Zaleplon BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 17139284; 17016423; 12404558; 15783240; 10515302; 12608888 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Patat A, Paty I, Hindmarch I: Pharmacodynamic profile of Zaleplon, a new non-benzodiazepine hypnotic agent. Hum Psychopharmacol. 2001 Jul;16(5):369-392.@@Barbera J, Shapiro C: Benefit-risk assessment of zaleplon in the treatment of insomnia. Drug Saf. 2005;28(4):301-18.@@Sanger DJ, Griebel G, Perrault G, Claustre Y, Schoemaker H: Discriminative stimulus effects of drugs acting at GABA(A) receptors: differential profiles and receptor selectivity. Pharmacol Biochem Behav. 1999 Oct;64(2):269-73.@@Terzano MG, Rossi M, Palomba V, Smerieri A, Parrino L: New drugs for insomnia: comparative tolerability of zopiclone, zolpidem and zaleplon. Drug Saf. 2003;26(4):261-82." Approved; Illicit; Investigational Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "GABA Agonists; Central Nervous System Depression; Cytochrome P-450 CYP3A Substrates; Amides; gamma-Aminobutyric Acid A Receptor Agonist; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Hypnotics (Nonbenzodiazepine); Drugs that are Mainly Renally Excreted; Acetates; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Miscellaneous Anxiolytics Sedatives and Hypnotics; Benzodiazepine hypnotics and sedatives; GABA Modulators; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; GABA-A Receptor Agonists; Cytochrome P-450 CYP3A7 Substrates; Anticonvulsants" CCN(C(C)=O)C1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C#N 11989 46508267 D00530 PA451952 DAP000266 Zaleplon CHEMBL1521 74667 DB00966 Telmisartan BE0000215 PPARG P37231 PPARG_HUMAN partial agonist 19147680; 16938288; 18580862; 15617852; 15868121; 17691961; 16154710 "Tagami T, Yamamoto H, Moriyama K, Sawai K, Usui T, Shimatsu A, Naruse M: A selective peroxisome proliferator-activated receptor-gamma modulator, telmisartan, binds to the receptor in a different fashion from thiazolidinediones. Endocrinology. 2009 Feb;150(2):862-70. doi: 10.1210/en.2008-0502. Epub 2009 Jan 15.@@Imayama I, Ichiki T, Inanaga K, Ohtsubo H, Fukuyama K, Ono H, Hashiguchi Y, Sunagawa K: Telmisartan downregulates angiotensin II type 1 receptor through activation of peroxisome proliferator-activated receptor gamma. Cardiovasc Res. 2006 Oct 1;72(1):184-90. Epub 2006 Jul 21.@@Kurtz TW: Beyond the classic angiotensin-receptor-blocker profile. Nat Clin Pract Cardiovasc Med. 2008 Jul;5 Suppl 1:S19-26. doi: 10.1038/ncpcardio0805.@@Yamagishi S, Takeuchi M: Telmisartan is a promising cardiometabolic sartan due to its unique PPAR-gamma-inducing property. Med Hypotheses. 2005;64(3):476-8.@@Kurtz TW: Treating the metabolic syndrome: telmisartan as a peroxisome proliferator-activated receptor-gamma activator. Acta Diabetol. 2005 Apr;42 Suppl 1:S9-16.@@Yamagishi S, Nakamura K, Matsui T: Potential utility of telmisartan, an angiotensin II type 1 receptor blocker with peroxisome proliferator-activated receptor-gamma (PPAR-gamma)-modulating activity for the treatment of cardiometabolic disorders. Curr Mol Med. 2007 Aug;7(5):463-9.@@Yamagishi S, Takenaka K, Inoue H: Role of insulin-sensitizing property of telmisartan, a commercially available angiotensin II type 1 receptor blocker in preventing the development of atrial fibrillation. Med Hypotheses. 2006;66(1):118-20. Epub 2005 Sep 12." Approved; Investigational Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives "Agents Acting on the Renin-Angiotensin System; Agents causing angioedema; Antihypertensive Agents; Benzene Derivatives; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; BCRP/ABCG2 Inhibitors; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Biphenyl Compounds; P-glycoprotein inhibitors; Angiotensin II receptor blockers (ARBs) and diuretics; Heterocyclic Compounds, Fused-Ring; Angiotensin II receptor blockers (ARBs) and calcium channel blockers; UGT1A3 substrates; Angiotensin II Type 1 Receptor Blockers; Angiotensin II receptor blockers (ARBs), plain; BSEP/ABCB11 Substrates; Angiotensin Receptor Antagonists; Angiotensin II receptor antagonists; Angiotensin II Type 2 Receptor Blockers; Cytochrome P-450 CYP2C19 Inhibitors; Angiotensin 2 Receptor Blocker; Benzimidazoles" CCCC1=NC2=C(C=C(C=C2C)C2=NC3=CC=CC=C3N2C)N1CC1=CC=C(C=C1)C1=CC=CC=C1C(O)=O Telmisartan Action Pathway drug_action 11907 46505370 D00627 PA451605 DAP000766 Telmisartan CHEMBL1017 73494 DB00967 Desloratadine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 15564772; 7581058; 8174605; 11752352; 18336052; 17902729; 12642846; 18797058 "Wu RL, Anthes JC, Kreutner W, Harris AG, West RE Jr: Desloratadine inhibits constitutive and histamine-stimulated nuclear factor-kappaB activity consistent with inverse agonism at the histamine H1 Receptor. Int Arch Allergy Immunol. 2004 Dec;135(4):313-8. Epub 2004 Nov 24.@@Cieslewicz G, Gondorowicz K, Grzelewska-Rzymowska I, Rozniecki J: [Effect of loratadine, selective antagonist of histamine H1 receptors, on histamine-induced bronchoconstriction]. Pneumonol Alergol Pol. 1995;63(5-6):281-5.@@Letari O, Miozzo A, Folco G, Belloni PA, Sala A, Rovati GE, Nicosia S: Effects of loratadine on cytosolic Ca2+ levels and leukotriene release: novel mechanisms of action independent of the anti-histamine activity. Eur J Pharmacol. 1994 Feb 15;266(3):219-27.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Devillier P, Roche N, Faisy C: Clinical pharmacokinetics and pharmacodynamics of desloratadine, fexofenadine and levocetirizine : a comparative review. Clin Pharmacokinet. 2008;47(4):217-30.@@DuBuske L: Desloratadine for chronic idiopathic urticaria: a review of clinical efficacy. Am J Clin Dermatol. 2007;8(5):271-83.@@Simons FE, Prenner BM, Finn A Jr: Efficacy and safety of desloratadine in the treatment of perennial allergic rhinitis. J Allergy Clin Immunol. 2003 Mar;111(3):617-22.@@Dhanya NB, Thasleem Z, Rai R, Srinivas CR: Comparative efficacy of levocetirizine, desloratidine and fexofenadine by histamine wheal suppression test. Indian J Dermatol Venereol Leprol. 2008 Jul-Aug;74(4):361-3." Approved; Investigational Benzocycloheptapyridines Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines "P-glycoprotein inhibitors; Anticholinergic Agents; Piperidines; QTc Prolonging Agents; Central Nervous System Depressants; Histamine Antagonists; Loratadine and derivatives; Neurotransmitter Agents; Dibenzocycloheptenes; Benzocycloheptenes; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents; Cholinergic Agents; Histamine H1 Antagonists, Non-Sedating; Moderate Risk QTc-Prolonging Agents" ClC1=CC2=C(C=C1)C(=C1CCNCC1)C1=C(CC2)C=CC=N1 Desloratadine H1-Antihistamine Action drug_action 12210 46507996 D03693 PA164776964 DAP000331 Desloratadine CHEMBL1172 275635 DB00970 Dactinomycin BE0004951 TOP2A Q02880 TOP2B_HUMAN inhibitor 7756657 "Felix CA, Hosler MR, Winick NJ, Masterson M, Wilson AE, Lange BJ: ALL-1 gene rearrangements in DNA topoisomerase II inhibitor-related leukemia in children. Blood. 1995 Jun 1;85(11):3250-6." Approved; Investigational Cyclic depsipeptides Organic compounds; Organic acids and derivatives; Peptidomimetics; Depsipeptides "Cytotoxic Antibiotics and Related Substances; Myelosuppressive Agents; Peptides, Cyclic; Enzyme Inhibitors; Amino Acids, Peptides, and Proteins; Protein Synthesis Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Actinomycines; Peptides; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Actinomycin; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Immunosuppressive Agents; Narrow Therapeutic Index Drugs" [H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C 8486 46509192 D00214 PA151917012 DNC000380 Dactinomycin CHEMBL1554 3100 DB00970 Dactinomycin BE0000971 TOP1 P11387 TOP1_HUMAN inhibitor 9917336 "Alkorta I, Park C, Kong J, Garbisu C, Alberti M, Pon N, Hearst JE: Rhodobacter capsulatus DNA topoisomerase I purification and characterization. Arch Biochem Biophys. 1999 Feb 1;362(1):123-30. doi: 10.1006/abbi.1998.1023." Approved; Investigational Cyclic depsipeptides Organic compounds; Organic acids and derivatives; Peptidomimetics; Depsipeptides "Cytotoxic Antibiotics and Related Substances; Myelosuppressive Agents; Peptides, Cyclic; Enzyme Inhibitors; Amino Acids, Peptides, and Proteins; Protein Synthesis Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Actinomycines; Peptides; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Actinomycin; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Immunosuppressive Agents; Narrow Therapeutic Index Drugs" [H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C 8486 46509192 D00214 PA151917012 DNC000380 Dactinomycin CHEMBL1554 3100 DB00972 Azelastine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 2540229; 8829888; 9585822; 19209282; 17723160; 10478514 "Casale TB: The interaction of azelastine with human lung histamine H1, beta, and muscarinic receptor-binding sites. J Allergy Clin Immunol. 1989 Apr;83(4):771-6.@@Conde Hernandez DJ, Palma Aqilar JL, Delgado Romero J: Comparison of azelastine nasal spray and oral ebastine in treating seasonal allergic rhinitis. Curr Med Res Opin. 1995;13(6):299-304.@@Antepara I, Jauregui I, Basomba A, Cadahia A, Feo F, Garcia JJ, Gonzalo MA, Luna I, Rubio M, Vazquez M: [Investigation of the efficacy and tolerability of azelastine nasal spray versus ebastine tablets in patients with seasonal allergic rhinitis]. Allergol Immunopathol (Madr). 1998 Jan-Feb;26(1):9-16.@@Horak F: Effectiveness of twice daily azelastine nasal spray in patients with seasonal allergic rhinitis. Ther Clin Risk Manag. 2008 Oct;4(5):1009-22.@@Bernstein JA: Azelastine hydrochloride: a review of pharmacology, pharmacokinetics, clinical efficacy and tolerability. Curr Med Res Opin. 2007 Oct;23(10):2441-52.@@Golden SJ, Craig TJ: Efficacy and safety of azelastine nasal spray for the treatment of allergic rhinitis. J Am Osteopath Assoc. 1999 Jul;99(7 Suppl):S7-12." Approved Phthalazinones Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Cytochrome P-450 CYP2B6 Inhibitors; Anti-Allergic Agents; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Pyridazines; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Respiratory System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Antiallergic Agents, Excl. Corticosteroids; Cytochrome P-450 CYP2C9 Substrates; Decongestants and Antiallergics; Ophthalmologicals; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates; Sensory Organs" CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O Azelastine H1-Antihistamine Action drug_action 22525 46507582 D07483 PA448517 DNC000270 Azelastine CHEMBL639 18603 DB00972 Azelastine BE0000112 HRH2 P25021 HRH2_HUMAN inhibitor 17723160; 20856595; 19209282 "Bernstein JA: Azelastine hydrochloride: a review of pharmacology, pharmacokinetics, clinical efficacy and tolerability. Curr Med Res Opin. 2007 Oct;23(10):2441-52.@@Williams PB, Crandall E, Sheppard JD: Azelastine hydrochloride, a dual-acting anti-inflammatory ophthalmic solution, for treatment of allergic conjunctivitis. Clin Ophthalmol. 2010 Sep 7;4:993-1001. doi: 10.2147/opth.s13479.@@Horak F: Effectiveness of twice daily azelastine nasal spray in patients with seasonal allergic rhinitis. Ther Clin Risk Manag. 2008 Oct;4(5):1009-22." Approved Phthalazinones Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Cytochrome P-450 CYP2B6 Inhibitors; Anti-Allergic Agents; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Pyridazines; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Respiratory System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Antiallergic Agents, Excl. Corticosteroids; Cytochrome P-450 CYP2C9 Substrates; Decongestants and Antiallergics; Ophthalmologicals; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates; Sensory Organs" CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O Azelastine H1-Antihistamine Action drug_action 22525 46507582 D07483 PA448517 DNC000270 Azelastine CHEMBL639 18603 DB00972 Azelastine BE0003997 PLA2G1B P04054 PA21B_HUMAN inhibitor 8630722 "Hamasaki Y, Shafigeh M, Yamamoto S, Sato R, Zaitu M, Muro E, Kobayashi I, Ichimaru T, Tasaki H, Miyazaki S: Inhibition of leukotriene synthesis by azelastine. Ann Allergy Asthma Immunol. 1996 May;76(5):469-75. doi: 10.1016/S1081-1206(10)63465-5." Approved Phthalazinones Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Cytochrome P-450 CYP2B6 Inhibitors; Anti-Allergic Agents; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Pyridazines; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Respiratory System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Antiallergic Agents, Excl. Corticosteroids; Cytochrome P-450 CYP2C9 Substrates; Decongestants and Antiallergics; Ophthalmologicals; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates; Sensory Organs" CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O Azelastine H1-Antihistamine Action drug_action 22525 46507582 D07483 PA448517 DNC000270 Azelastine CHEMBL639 18603 DB00973 Ezetimibe BE0000105 SOAT1 P35610 SOAT1_HUMAN inhibitor 19669185; 20227438; 18442485 "Singh A, Basit A, Banerjee UC: Burkholderia cenocepacia: a new biocatalyst for efficient bioreduction of ezetimibe intermediate. J Ind Microbiol Biotechnol. 2009 Nov;36(11):1369-74. doi: 10.1007/s10295-009-0622-z. Epub 2009 Aug 8.@@Costet P: Molecular pathways and agents for lowering LDL-cholesterol in addition to statins. Pharmacol Ther. 2010 Jun;126(3):263-78. doi: 10.1016/j.pharmthera.2010.02.006. Epub 2010 Mar 19.@@Wang HH, Portincasa P, Mendez-Sanchez N, Uribe M, Wang DQ: Effect of ezetimibe on the prevention and dissolution of cholesterol gallstones. Gastroenterology. 2008 Jun;134(7):2101-10. doi: 10.1053/j.gastro.2008.03.011. Epub 2008 Mar 10." Approved Monobactams Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams "UGT2B7 substrates; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Decreased Cholesterol Absorption; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Lipid Regulating Agents; BCRP/ABCG2 Substrates; Lipid Modifying Agents, Plain; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Anticholesteremic Agents; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; UGT1A1 Substrates; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Dietary Cholesterol Absorption Inhibitor; Azetines" [H][C@]1(CC[C@H](O)C2=CC=C(F)C=C2)C(=O)N(C2=CC=C(F)C=C2)[C@]1([H])C1=CC=C(O)C=C1 12754 46507625 D01966 PA10816 DAP000717 Ezetimibe CHEMBL1138 341248 DB00975 Dipyridamole BE0000631 PDE10A Q9Y233 PDE10_HUMAN inhibitor 17139284; 17016423; 10373451 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Fujishige K, Kotera J, Michibata H, Yuasa K, Takebayashi S, Okumura K, Omori K: Cloning and characterization of a novel human phosphodiesterase that hydrolyzes both cAMP and cGMP (PDE10A). J Biol Chem. 1999 Jun 25;274(26):18438-45." Approved Dialkylarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Anticoagulants; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; P-glycoprotein substrates; Antiplatelet agents; P-glycoprotein inhibitors; OATP1B3 inhibitors; Blood and Blood Forming Organs; Vasodilating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Phosphodiesterase Inhibitors; Miscellaneous Vasodilatating Agents; BSEP/ABCB11 Substrates; Decreased Platelet Aggregation; Hematologic Agents; Pyrimidines; Phosphodiesterase 5 Inhibitors OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1 Dipyridamole (Antiplatelet) Action Pathway drug_action 7219 46506292 D00302 PA449367 DNC001625 Dipyridamole CHEMBL932 3521 DB00975 Dipyridamole BE0000182 PDE5A O76074 PDE5A_HUMAN inhibitor 15672122; 16080974; 16886928; 17308037; 11752352 "Kulkarni SK, Patil CS: Phosphodiesterase 5 enzyme and its inhibitors: update on pharmacological and therapeutical aspects. Methods Find Exp Clin Pharmacol. 2004 Dec;26(10):789-99.@@Santini F, Casali G, Franchi G, Auriemma S, Lusini M, Barozzi L, Favaro A, Messina A, Mazzucco A: Hemodynamic effects of inhaled nitric oxide and phosphodiesterase inhibitor (dipyridamole) on secondary pulmonary hypertension following heart valve surgery in adults. Int J Cardiol. 2005 Aug 18;103(2):156-63.@@Kruuse C, Lassen LH, Iversen HK, Oestergaard S, Olesen J: Dipyridamole may induce migraine in patients with migraine without aura. Cephalalgia. 2006 Aug;26(8):925-33.@@Jackson EK, Ren J, Zacharia LC, Mi Z: Characterization of renal ecto-phosphodiesterase. J Pharmacol Exp Ther. 2007 May;321(2):810-5. Epub 2007 Feb 16.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Dialkylarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Anticoagulants; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; P-glycoprotein substrates; Antiplatelet agents; P-glycoprotein inhibitors; OATP1B3 inhibitors; Blood and Blood Forming Organs; Vasodilating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Phosphodiesterase Inhibitors; Miscellaneous Vasodilatating Agents; BSEP/ABCB11 Substrates; Decreased Platelet Aggregation; Hematologic Agents; Pyrimidines; Phosphodiesterase 5 Inhibitors OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1 Dipyridamole (Antiplatelet) Action Pathway drug_action 7219 46506292 D00302 PA449367 DNC001625 Dipyridamole CHEMBL932 3521 DB00975 Dipyridamole BE0001133 PDE4A P27815 PDE4A_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Dialkylarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Anticoagulants; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; P-glycoprotein substrates; Antiplatelet agents; P-glycoprotein inhibitors; OATP1B3 inhibitors; Blood and Blood Forming Organs; Vasodilating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Phosphodiesterase Inhibitors; Miscellaneous Vasodilatating Agents; BSEP/ABCB11 Substrates; Decreased Platelet Aggregation; Hematologic Agents; Pyrimidines; Phosphodiesterase 5 Inhibitors OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1 Dipyridamole (Antiplatelet) Action Pathway drug_action 7219 46506292 D00302 PA449367 DNC001625 Dipyridamole CHEMBL932 3521 DB00975 Dipyridamole BE0002214 ADA P00813 ADA_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Dialkylarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Anticoagulants; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; P-glycoprotein substrates; Antiplatelet agents; P-glycoprotein inhibitors; OATP1B3 inhibitors; Blood and Blood Forming Organs; Vasodilating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Phosphodiesterase Inhibitors; Miscellaneous Vasodilatating Agents; BSEP/ABCB11 Substrates; Decreased Platelet Aggregation; Hematologic Agents; Pyrimidines; Phosphodiesterase 5 Inhibitors OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1 Dipyridamole (Antiplatelet) Action Pathway drug_action 7219 46506292 D00302 PA449367 DNC001625 Dipyridamole CHEMBL932 3521 DB00977 Ethinylestradiol BE0000123 ESR1 P03372 ESR1_HUMAN agonist 17095591; 17124377; 17125913; 17138652; 17142999; 19237207; 19434891; 11752352 "Micevych PE, Chaban V, Ogi J, Dewing P, Lu JK, Sinchak K: Estradiol stimulates progesterone synthesis in hypothalamic astrocyte cultures. Endocrinology. 2007 Feb;148(2):782-9. Epub 2006 Nov 9.@@Garcia-Segura LM, Sanz A, Mendez P: Cross-talk between IGF-I and estradiol in the brain: focus on neuroprotection. Neuroendocrinology. 2006;84(4):275-9. Epub 2006 Nov 23.@@Brama M, Gnessi L, Basciani S, Cerulli N, Politi L, Spera G, Mariani S, Cherubini S, Scotto d'Abusco A, Scandurra R, Migliaccio S: Cadmium induces mitogenic signaling in breast cancer cell by an ERalpha-dependent mechanism. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):102-8. Epub 2006 Nov 27.@@Lehnes K, Winder AD, Alfonso C, Kasid N, Simoneaux M, Summe H, Morgan E, Iann MC, Duncan J, Eagan M, Tavaluc R, Evans CH Jr, Russell R, Wang A, Hu F, Stoica A: The effect of estradiol on in vivo tumorigenesis is modulated by the human epidermal growth factor receptor 2/phosphatidylinositol 3-kinase/Akt1 pathway. Endocrinology. 2007 Mar;148(3):1171-80. Epub 2006 Nov 30.@@Mukai H, Tsurugizawa T, Ogiue-Ikeda M, Murakami G, Hojo Y, Ishii H, Kimoto T, Kawato S: Local neurosteroid production in the hippocampus: influence on synaptic plasticity of memory. Neuroendocrinology. 2006;84(4):255-63. Epub 2006 Dec 1.@@Notch EG, Mayer GD: 17alpha-Ethinylestradiol hinders nucleotide excision repair in zebrafish liver cells. Aquat Toxicol. 2009 Dec 13;95(4):273-8. doi: 10.1016/j.aquatox.2009.01.001. Epub 2009 Jan 23.@@Bennink HJ: Reprint of Are all estrogens the same? Maturitas. 2008 Sep-Oct;61(1-2):195-201.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; UGT1A1 Inducers; BSEP/ABCB11 inducers; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estradiol Congeners; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Hormones; Norpregnanes; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Norpregnatrienes; Contraceptives, Postcoital; COMT Substrates; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Estrogenic Steroids, Alkylated; Contraceptives, Oral, Hormonal; Antineoplastic and Immunomodulating Agents; Contraceptives, Oral; Gonadal Steroid Hormones; Endocrine Therapy; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A4 substrates; BSEP/ABCB11 Inhibitors; Estrogens; Hormones and Related Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP1A2 Substrates; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 7426 46508618 D00554 PA449527 DAP001018 Ethinylestradiol CHEMBL691 4124 DB00978 Lomefloxacin BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Quinoline carboxylic acids Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids "QTc Prolonging Agents; Enzyme Inhibitors; Topoisomerase Inhibitors; Anti-Bacterial Agents; Quinolones; Antiinfectives for Systemic Use; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Sensory Organs; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; Fluoroquinolone Antibacterial; Anti-Infective Agents, Urinary; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Antibacterials for Systemic Use; Anti-Infective Agents; Topoisomerase II Inhibitors; Fluoroquinolones; Ophthalmologicals; Moderate Risk QTc-Prolonging Agents; Quinolines; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N3CCNC(C)C3)C(F)=C12 46508499 D02318 PA164749165 DAP000653 Lomefloxacin CHEMBL561 28872 DB00981 Physostigmine BE0000849 CHRNA4 P43681 ACHA4_HUMAN 14645658 "Eaton JB, Peng JH, Schroeder KM, George AA, Fryer JD, Krishnan C, Buhlman L, Kuo YP, Steinlein O, Lukas RJ: Characterization of human alpha 4 beta 2-nicotinic acetylcholine receptors stably and heterologously expressed in native nicotinic receptor-null SH-EP1 human epithelial cells. Mol Pharmacol. 2003 Dec;64(6):1283-94." Approved; Investigational Pyrroloindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles "Enzyme Inhibitors; Indolizidines; Miotics; Cholinergic Agents; Indoles; Autonomic Agents; Carbamates; Alkaloids; Phenylcarbamates; Antiglaucoma Preparations and Miotics; Parasympathomimetics; Heterocyclic Compounds, Fused-Ring; Antidotes; Indole Alkaloids; Acids, Acyclic; Peripheral Nervous System Agents; Ophthalmologicals; Cholinesterase Inhibitors; Neurotransmitter Agents; Indolizines; Sensory Organs" [H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC)=C1)N2C 10016 46506998 D00196 PA450957 DAP000561 Physostigmine CHEMBL94 8299 DB00982 Isotretinoin BE0000144 RARG P13631 RARG_HUMAN 20436884 Layton A: The use of isotretinoin in acne. Dermatoendocrinol. 2009 May;1(3):162-9. doi: 10.4161/derm.1.3.9364. Approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Anti-Acne Preparations for Topical Use; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Noxae; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cyclohexenes; Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Photosensitizing Agents; Misc. Skin and Mucous Membrane Agents; Drugs that are Mainly Renally Excreted; Cyclohexanes; Pigments, Biological; Terpenes; Agents Causing Muscle Toxicity; Biological Factors; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Anti-Acne Preparations for Systemic Use; Retinoids; Polyenes; Retinoids for Treatment of Acne; Teratogens; Retinoids for Topical Use in Acne; Toxic Actions; Carotenoids" C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O 5044 46508729 D00348 PA450128 DAP000009 Isotretinoin CHEMBL547 6064 DB00982 Isotretinoin BE0000663 RARA P10276 RARA_HUMAN other/unknown 10955779; 16983322; 9691099; 7601910; 9204085 "Dahl AR, Grossi IM, Houchens DP, Scovell LJ, Placke ME, Imondi AR, Stoner GD, De Luca LM, Wang D, Mulshine JL: Inhaled isotretinoin (13-cis retinoic acid) is an effective lung cancer chemopreventive agent in A/J mice at low doses: a pilot study. Clin Cancer Res. 2000 Aug;6(8):3015-24.@@Zouboulis CC: Isotretinoin revisited: pluripotent effects on human sebaceous gland cells. J Invest Dermatol. 2006 Oct;126(10):2154-6.@@Vu-Dac N, Gervois P, Torra IP, Fruchart JC, Kosykh V, Kooistra T, Princen HM, Dallongeville J, Staels B: Retinoids increase human apo C-III expression at the transcriptional level via the retinoid X receptor. Contribution to the hypertriglyceridemic action of retinoids. J Clin Invest. 1998 Aug 1;102(3):625-32.@@Taylor LE, Bennett GD, Finnell RH: Altered gene expression in murine branchial arches following in utero exposure to retinoic acid. J Craniofac Genet Dev Biol. 1995 Jan-Mar;15(1):13-25.@@Shroot B, Michel S: Pharmacology and chemistry of adapalene. J Am Acad Dermatol. 1997 Jun;36(6 Pt 2):S96-103." Approved Retinoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids "Anti-Acne Preparations for Topical Use; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Noxae; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cyclohexenes; Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Photosensitizing Agents; Misc. Skin and Mucous Membrane Agents; Drugs that are Mainly Renally Excreted; Cyclohexanes; Pigments, Biological; Terpenes; Agents Causing Muscle Toxicity; Biological Factors; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Anti-Acne Preparations for Systemic Use; Retinoids; Polyenes; Retinoids for Treatment of Acne; Teratogens; Retinoids for Topical Use in Acne; Toxic Actions; Carotenoids" C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O 5044 46508729 D00348 PA450128 DAP000009 Isotretinoin CHEMBL547 6064 DB00983 Formoterol BE0001012 ADRB3 P13945 ADRB3_HUMAN agonist 14730417 "Hoffmann C, Leitz MR, Oberdorf-Maass S, Lohse MJ, Klotz KN: Comparative pharmacology of human beta-adrenergic receptor subtypes--characterization of stably transfected receptors in CHO cells. Naunyn Schmiedebergs Arch Pharmacol. 2004 Feb;369(2):151-9. Epub 2004 Jan 17." Approved; Investigational Amphetamines and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines "Adrenergic beta-Agonists; Selective Beta 2-adrenergic Agonists; QTc Prolonging Agents; Amines; UGT2B7 substrates; Adrenergics for Systemic Use; Anti-Asthmatic Agents; Agents producing tachycardia; Autonomic Agents; Amino Alcohols; OCT1 substrates; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Alcohols; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Long-acting beta-adrenoceptor agonists; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Adrenergics, Inhalants; Agents that produce hypertension; Respiratory System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; OCT1 inhibitors; Adrenergic beta-2 Receptor Agonists; Ethanolamines; Adrenergic Agents" COC1=CC=C(CC(C)NCC(O)C2=CC(NC=O)=C(O)C=C2)C=C1 12633 46507099 D07990 PA134687907 DAP000247 Formoterol CHEMBL1256786 25255 DB00984 Nandrolone phenpropionate BE0000132 AR P10275 ANDR_HUMAN agonist 14663936; 14619588; 17405825; 14761877; 12760377; 11752352 "Cen Y, Li K, Liu XX: [Effect of nandrolone phenylpropionate on expression of hepatic albumin-mRNA and androgen receptor in burned rats]. Zhongguo Xiu Fu Chong Jian Wai Ke Za Zhi. 2003 Nov;17(6):439-41.@@Li K, Cen Y, Liu X, Luo X: [The effects of nandrolone phenylpropionate on androgen receptor of liver and sexual glands in burned rats]. Sichuan Da Xue Xue Bao Yi Xue Ban. 2003 Oct;34(4):708-10.@@Burger LL, Haisenleder DJ, Wotton GM, Aylor KW, Dalkin AC, Marshall JC: The regulation of FSHbeta transcription by gonadal steroids: testosterone and estradiol modulation of the activin intracellular signaling pathway. Am J Physiol Endocrinol Metab. 2007 Jul;293(1):E277-85. Epub 2007 Apr 3.@@Fujii Y, Kawakami S, Okada Y, Kageyama Y, Kihara K: Regulation of prostate-specific antigen by activin A in prostate cancer LNCaP cells. Am J Physiol Endocrinol Metab. 2004 Jun;286(6):E927-31. Epub 2004 Feb 3.@@Yan W, Burns KH, Matzuk MM: Genetic engineering to study testicular tumorigenesis. APMIS. 2003 Jan;111(1):174-81; discussion 182-3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Illicit; Investigational Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Fused-Ring Compounds; Androgens; Gonadal Steroid Hormones; Gonadal Hormones; Estranes; Nandrolone and esters; Hormones; Anabolic Agents; Steroids; Testosterone Congeners; Thyroxine-binding globulin inhibitors; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCC3=CC=CC=C3)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] 46506276 D00956 PA164746281 DAP000903 Nandrolone CHEMBL1200412 31495 DB00985 Dimenhydrinate BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11752352; 11835984 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Halpert AG, Olmstead MC, Beninger RJ: Mechanisms and abuse liability of the anti-histamine dimenhydrinate. Neurosci Biobehav Rev. 2002 Jan;26(1):61-7." Approved "Purines; QTc Prolonging Agents; Amines; Aminoalkyl Ethers; Histamine H1 Antagonists; Benzene Derivatives; Gastrointestinal Agents; Autonomic Agents; Central Nervous System Depressants; Histamine Antagonists; Alkaloids; Heterocyclic Compounds, Fused-Ring; Purinones; Peripheral Nervous System Agents; Pharmaceutical Preparations; Central Nervous System Agents; Neurotransmitter Agents; Ethanolamine Derivatives; Antiemetics; Antihistamines for Systemic Use; Benzhydryl Compounds; Ethylamines; Histamine Agents; Moderate Risk QTc-Prolonging Agents" CN1C2=C(N=C(Cl)N2)C(=O)N(C)C1=O.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 9782 46504881 D00520 PA449338 DAP000333 Dimenhydrinate CHEMBL1200406 3444 DB00986 Glycopyrronium BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 10385241 "Haddad EB, Patel H, Keeling JE, Yacoub MH, Barnes PJ, Belvisi MG: Pharmacological characterization of the muscarinic receptor antagonist, glycopyrrolate, in human and guinea-pig airways. Br J Pharmacol. 1999 May;127(2):413-20." Approved; Investigational; Vet_approved "MATE 1 Substrates; Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Agents producing tachycardia; Cholinergic Agents; OCT2 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Drugs for Obstructive Airway Diseases; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Cytochrome P-450 CYP2D6 Substrates; Pyrrolidines; Onium Compounds; Antihidrotics; Adrenergics, Inhalants; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Antimuscarinics Antispasmodics; Adjuvants, Anesthesia; Muscarinic Antagonists; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Ammonium Compounds; MATE substrates; Cytochrome P-450 CYP1A2 Substrates" C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1 21481 46509133 D00540 PA164754882 DAP001116 Glycopyrronium_bromide CHEMBL1201335 1546438 DB00986 Glycopyrronium BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 10385241 "Haddad EB, Patel H, Keeling JE, Yacoub MH, Barnes PJ, Belvisi MG: Pharmacological characterization of the muscarinic receptor antagonist, glycopyrrolate, in human and guinea-pig airways. Br J Pharmacol. 1999 May;127(2):413-20." Approved; Investigational; Vet_approved "MATE 1 Substrates; Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Agents producing tachycardia; Cholinergic Agents; OCT2 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Drugs for Obstructive Airway Diseases; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Cytochrome P-450 CYP2D6 Substrates; Pyrrolidines; Onium Compounds; Antihidrotics; Adrenergics, Inhalants; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Antimuscarinics Antispasmodics; Adjuvants, Anesthesia; Muscarinic Antagonists; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Ammonium Compounds; MATE substrates; Cytochrome P-450 CYP1A2 Substrates" C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1 21481 46509133 D00540 PA164754882 DAP001116 Glycopyrronium_bromide CHEMBL1201335 1546438 DB00986 Glycopyrronium BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist Approved; Investigational; Vet_approved "MATE 1 Substrates; Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Agents producing tachycardia; Cholinergic Agents; OCT2 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Drugs for Obstructive Airway Diseases; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Cytochrome P-450 CYP2D6 Substrates; Pyrrolidines; Onium Compounds; Antihidrotics; Adrenergics, Inhalants; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Antimuscarinics Antispasmodics; Adjuvants, Anesthesia; Muscarinic Antagonists; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Ammonium Compounds; MATE substrates; Cytochrome P-450 CYP1A2 Substrates" C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1 21481 46509133 D00540 PA164754882 DAP001116 Glycopyrronium_bromide CHEMBL1201335 1546438 DB00987 Cytarabine BE0000113 POLB P06746 DPOLB_HUMAN inhibitor 16866189; 15011952; 19372559 "Angeli JP, Ribeiro LR, Bellini MF, Mantovanil: Anti-clastogenic effect of beta-glucan extracted from barley towards chemically induced DNA damage in rodent cells. Hum Exp Toxicol. 2006 Jun;25(6):319-24.@@Miura S, Izuta S: DNA polymerases as targets of anticancer nucleosides. Curr Drug Targets. 2004 Feb;5(2):191-5.@@Krynetskaia NF, Phadke MS, Jadhav SH, Krynetskiy EY: Chromatin-associated proteins HMGB1/2 and PDIA3 trigger cellular response to chemotherapy-induced DNA damage. Mol Cancer Ther. 2009 Apr;8(4):864-72. doi: 10.1158/1535-7163.MCT-08-0695." Approved; Investigational Pyrimidine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides" "Myelosuppressive Agents; Nucleosides; Antimetabolites; Cytochrome P-450 CYP3A Substrates; Noxae; OCT1 substrates; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Immunologic Factors; Arabinonucleosides; Antineoplastic Agents; Pyrimidine Analogues; Agents Causing Muscle Toxicity; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Cytidine Deaminase Substrates; Nucleic Acids, Nucleotides, and Nucleosides; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Narrow Therapeutic Index Drugs; Toxic Actions; Pyrimidine Nucleosides" NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 2953 46505879 D00168 PA449177 DNC001551 Cytarabine CHEMBL803 3041 DB00988 Dopamine BE0000581 DRD3 P35462 DRD3_HUMAN agonist 17301410 "Ostadali MR, Ahangari G, Eslami MB, Razavi A, Zarrindast MR, Ahmadkhaniha HR, Boulhari J: The Detection of Dopamine Gene Receptors (DRD1-DRD5) Expression on Human Peripheral Blood Lymphocytes by Real Time PCR. Iran J Allergy Asthma Immunol. 2004 Dec;3(4):169-74." Approved Catecholamines and derivatives Organic compounds; Benzenoids; Phenols; Benzenediols "Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Biogenic Amines; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; OCT2 Substrates; OCT1 substrates; Cardiovascular Agents; Dopamine, metabolism; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Cardiotonic Agents; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Selective Beta 1-adrenergic Agonists; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Monoamine Oxidase A Substrates; Biogenic Monoamines; Neurotransmitter Agents; Sympathomimetics; Dopamine Agents" NCCC1=CC(O)=C(O)C=C1 "Remifentanil Action Pathway; Hydrocodone Action Pathway; Sufentanil Action Pathway; Morphine Action Pathway; Fluoxetine Action Pathway; 3-Methylthiofentanyl Action Pathway; Benzocaine Action Pathway; Oxybuprocaine Action Pathway; Codeine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency; Ketobemidone Action Pathway; Propoxyphene Action Pathway; Dihydromorphine Action Pathway; Nicotine Action Pathway; Proparacaine Action Pathway; Methadyl Acetate Action Pathway; Hawkinsinuria; Oxymorphone Action Pathway; Fentanyl Action Pathway; Dimethylthiambutene Action Pathway; Dopamine beta-Hydroxylase Deficiency; Lidocaine (Local Anaesthetic) Action Pathway; Monoamine Oxidase-A Deficiency (MAO-A); Aromatic L-Aminoacid Decarboxylase Deficiency; Hydromorphone Action Pathway; Tyrosinemia, Transient, of the Newborn; Anileridine Action Pathway; Bupivacaine Action Pathway; Dopamine Activation of Neurological Reward System" signaling; disease; drug_action 2322 46506043 D07870 PA449396 DAP000212 Dopamine CHEMBL59 3628 DB00988 Dopamine BE0000650 HTR7 P34969 5HT7R_HUMAN binder 8398139; 8394362 "Lovenberg TW, Baron BM, de Lecea L, Miller JD, Prosser RA, Rea MA, Foye PE, Racke M, Slone AL, Siegel BW, et al.: A novel adenylyl cyclase-activating serotonin receptor (5-HT7) implicated in the regulation of mammalian circadian rhythms. Neuron. 1993 Sep;11(3):449-58.@@Shen Y, Monsma FJ Jr, Metcalf MA, Jose PA, Hamblin MW, Sibley DR: Molecular cloning and expression of a 5-hydroxytryptamine7 serotonin receptor subtype. J Biol Chem. 1993 Aug 25;268(24):18200-4." Approved Catecholamines and derivatives Organic compounds; Benzenoids; Phenols; Benzenediols "Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Biogenic Amines; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; OCT2 Substrates; OCT1 substrates; Cardiovascular Agents; Dopamine, metabolism; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Cardiotonic Agents; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Selective Beta 1-adrenergic Agonists; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Monoamine Oxidase A Substrates; Biogenic Monoamines; Neurotransmitter Agents; Sympathomimetics; Dopamine Agents" NCCC1=CC(O)=C(O)C=C1 "Remifentanil Action Pathway; Hydrocodone Action Pathway; Sufentanil Action Pathway; Morphine Action Pathway; Fluoxetine Action Pathway; 3-Methylthiofentanyl Action Pathway; Benzocaine Action Pathway; Oxybuprocaine Action Pathway; Codeine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency; Ketobemidone Action Pathway; Propoxyphene Action Pathway; Dihydromorphine Action Pathway; Nicotine Action Pathway; Proparacaine Action Pathway; Methadyl Acetate Action Pathway; Hawkinsinuria; Oxymorphone Action Pathway; Fentanyl Action Pathway; Dimethylthiambutene Action Pathway; Dopamine beta-Hydroxylase Deficiency; Lidocaine (Local Anaesthetic) Action Pathway; Monoamine Oxidase-A Deficiency (MAO-A); Aromatic L-Aminoacid Decarboxylase Deficiency; Hydromorphone Action Pathway; Tyrosinemia, Transient, of the Newborn; Anileridine Action Pathway; Bupivacaine Action Pathway; Dopamine Activation of Neurological Reward System" signaling; disease; drug_action 2322 46506043 D07870 PA449396 DAP000212 Dopamine CHEMBL59 3628 DB00988 Dopamine BE0002390 SOD1 P00441 SODC_HUMAN 23612299 "Wright GS, Antonyuk SV, Kershaw NM, Strange RW, Samar Hasnain S: Ligand binding and aggregation of pathogenic SOD1. Nat Commun. 2013;4:1758. doi: 10.1038/ncomms2750." Approved Catecholamines and derivatives Organic compounds; Benzenoids; Phenols; Benzenediols "Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Biogenic Amines; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; OCT2 Substrates; OCT1 substrates; Cardiovascular Agents; Dopamine, metabolism; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Cardiotonic Agents; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Selective Beta 1-adrenergic Agonists; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Monoamine Oxidase A Substrates; Biogenic Monoamines; Neurotransmitter Agents; Sympathomimetics; Dopamine Agents" NCCC1=CC(O)=C(O)C=C1 "Remifentanil Action Pathway; Hydrocodone Action Pathway; Sufentanil Action Pathway; Morphine Action Pathway; Fluoxetine Action Pathway; 3-Methylthiofentanyl Action Pathway; Benzocaine Action Pathway; Oxybuprocaine Action Pathway; Codeine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency; Ketobemidone Action Pathway; Propoxyphene Action Pathway; Dihydromorphine Action Pathway; Nicotine Action Pathway; Proparacaine Action Pathway; Methadyl Acetate Action Pathway; Hawkinsinuria; Oxymorphone Action Pathway; Fentanyl Action Pathway; Dimethylthiambutene Action Pathway; Dopamine beta-Hydroxylase Deficiency; Lidocaine (Local Anaesthetic) Action Pathway; Monoamine Oxidase-A Deficiency (MAO-A); Aromatic L-Aminoacid Decarboxylase Deficiency; Hydromorphone Action Pathway; Tyrosinemia, Transient, of the Newborn; Anileridine Action Pathway; Bupivacaine Action Pathway; Dopamine Activation of Neurological Reward System" signaling; disease; drug_action 2322 46506043 D07870 PA449396 DAP000212 Dopamine CHEMBL59 3628 DB00989 Rivastigmine BE0002180 BCHE P06276 CHLE_HUMAN inhibitor 11752352; 11078030; 11139819; 19370562; 16437532; 19470293; 19420308; 19374459; 18671661; 18044073; 14587496; 12636181; 34269114 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Stahl SM: The new cholinesterase inhibitors for Alzheimer's disease, Part 1: their similarities are different. J Clin Psychiatry. 2000 Oct;61(10):710-1.@@Gottwald MD, Rozanski RI: Rivastigmine, a brain-region selective acetylcholinesterase inhibitor for treating Alzheimer's disease: review and current status. Expert Opin Investig Drugs. 1999 Oct;8(10):1673-1682.@@Birks J, Grimley Evans J, Iakovidou V, Tsolaki M, Holt FE: Rivastigmine for Alzheimer's disease. Cochrane Database Syst Rev. 2009 Apr 15;(2):CD001191. doi: 10.1002/14651858.CD001191.pub2.@@Birks J: Cholinesterase inhibitors for Alzheimer's disease. Cochrane Database Syst Rev. 2006 Jan 25;(1):CD005593.@@Naik RS, Hartmann J, Kiewert C, Duysen EG, Lockridge O, Klein J: Effects of rivastigmine and donepezil on brain acetylcholine levels in acetylcholinesterase-deficient mice. J Pharm Pharm Sci. 2009;12(1):79-85.@@Smith DA: Treatment of Alzheimer's disease in the long-term-care setting. Am J Health Syst Pharm. 2009 May 15;66(10):899-907. doi: 10.2146/ajhp070622.@@Bassil N, Grossberg GT: Novel regimens and delivery systems in the pharmacological treatment of Alzheimer's disease. CNS Drugs. 2009;23(4):293-307.@@Lalli S, Albanese A: Rivastigmine in Parkinson's disease dementia. Expert Rev Neurother. 2008 Aug;8(8):1181-8. doi: 10.1586/14737175.8.8.1181.@@Onor ML, Trevisiol M, Aguglia E: Rivastigmine in the treatment of Alzheimer's disease: an update. Clin Interv Aging. 2007;2(1):17-32.@@Farlow MR: Update on rivastigmine. Neurologist. 2003 Sep;9(5):230-4.@@Greig NH, Lahiri DK, Sambamurti K: Butyrylcholinesterase: an important new target in Alzheimer's disease therapy. Int Psychogeriatr. 2002;14 Suppl 1:77-91.@@Li S, Li AJ, Travers J, Xu T, Sakamuru S, Klumpp-Thomas C, Huang R, Xia M: Identification of Compounds for Butyrylcholinesterase Inhibition. SLAS Discov. 2021 Dec;26(10):1355-1364. doi: 10.1177/24725552211030897. Epub 2021 Jul 16." Approved; Investigational Phenoxy compounds Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxy compounds "Parasympathomemetic (Cholinergic) Agents; Central Nervous System Agents; Enzyme Inhibitors; Carbamates; Cholinesterase Inhibitors; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System; Acids, Acyclic; Phenylcarbamates; Cholinergic Agents; Protective Agents; Psychoanaleptics; Anti-Dementia Drugs; Neuroprotective Agents; Compounds used in a research, industrial, or household setting" CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C 11987 46507452 D03822 PA451262 DAP000149 Rivastigmine CHEMBL636 183379 DB00990 Exemestane BE0002090 CYP19A1 P11511 CP19A_HUMAN inhibitor 11752352; 19930708; 19436613; 19337436; 19156139; 20360896; 18728707; 17020418; 15814851 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Koutras A, Giannopoulou E, Kritikou I, Antonacopoulou A, Evans TR, Papavassiliou AG, Kalofonos H: Antiproliferative effect of exemestane in lung cancer cells. Mol Cancer. 2009 Nov 24;8:109. doi: 10.1186/1476-4598-8-109.@@Robinson A: A review of the use of exemestane in early breast cancer. Ther Clin Risk Manag. 2009 Feb;5(1):91-8. Epub 2009 Mar 26.@@Untch M, Jackisch C: Exemestane in early breast cancer: a review. Ther Clin Risk Manag. 2008 Dec;4(6):1295-304.@@Barnadas A, Gil M, Gonzalez S, Tusquets I, Munoz M, Arcusa A, Prieto L, Margeli-Vila M, Moreno A: Exemestane as primary treatment of oestrogen receptor-positive breast cancer in postmenopausal women: a phase II trial. Br J Cancer. 2009 Feb 10;100(3):442-9. doi: 10.1038/sj.bjc.6604868. Epub 2009 Jan 20.@@Abrial C, Durando X, Mouret-Reynier MA, Thivat E, Bayet-Robert M, Nayl B, Dubray P, Pomel C, Chollet P, Penault-Llorca F: Role of neo-adjuvant hormonal therapy in the treatment of breast cancer: a review of clinical trials. Int J Gen Med. 2009 Jul 30;2:129-40.@@Nabholtz JM: Long-term safety of aromatase inhibitors in the treatment of breast cancer. Ther Clin Risk Manag. 2008 Feb;4(1):189-204.@@Brueggemeier RW: Update on the use of aromatase inhibitors in breast cancer. Expert Opin Pharmacother. 2006 Oct;7(14):1919-30.@@Brueggemeier RW, Hackett JC, Diaz-Cruz ES: Aromatase inhibitors in the treatment of breast cancer. Endocr Rev. 2005 May;26(3):331-45. Epub 2005 Apr 6." Approved; Investigational Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Fused-Ring Compounds; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Estrogen Antagonists; Aromatase Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Androstanes; Steroid Synthesis Inhibitors; Hormone Antagonists; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP3A4 Substrates; Steroids; Androstenes; Antineoplastic Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)C=C[C@]12C 12019 46508243 D00963 PA449563 DAP000625 Exemestane CHEMBL1200374 258494 DB00993 Azathioprine BE0001109 RAC1 P63000 RAC1_HUMAN modulator 12697733 "Tiede I, Fritz G, Strand S, Poppe D, Dvorsky R, Strand D, Lehr HA, Wirtz S, Becker C, Atreya R, Mudter J, Hildner K, Bartsch B, Holtmann M, Blumberg R, Walczak H, Iven H, Galle PR, Ahmadian MR, Neurath MF: CD28-dependent Rac1 activation is the molecular target of azathioprine in primary human CD4+ T lymphocytes. J Clin Invest. 2003 Apr;111(8):1133-45." Approved Diarylthioethers Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers "Purines; Glycosides; Nucleosides; Carbohydrates; Antimetabolites; Noxae; Immunotherapy; Cytochrome P-450 Substrates; Immunologic Factors; Purine Antimetabolite; Thiopurine Analogs; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Thionucleosides; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Sulfur Compounds; Toxic Actions; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Sulfhydryl Compounds" CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O Azathioprine Action Pathway; Azathioprine Metabolism Pathway drug_metabolism; drug_action 10128 46508252 D00238 PA448515 DAP000782 Azathioprine CHEMBL1542 1256 DB00995 Auranofin BE0001154 IKBKB O14920 IKKB_HUMAN inhibitor 12754408; 17034761 "Jeon KI, Byun MS, Jue DM: Gold compound auranofin inhibits IkappaB kinase (IKK) by modifying Cys-179 of IKKbeta subunit. Exp Mol Med. 2003 Apr 30;35(2):61-6.@@Youn HS, Lee JY, Saitoh SI, Miyake K, Hwang DH: Auranofin, as an anti-rheumatic gold compound, suppresses LPS-induced homodimerization of TLR4. Biochem Biophys Res Commun. 2006 Dec 1;350(4):866-71. Epub 2006 Sep 28." Approved; Investigational Tetracarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tetracarboxylic acids and derivatives Organogold Compounds; Organometallic Compounds; Musculo-Skeletal System; Gold Compounds; Gold Preparations; Specific Antirheumatic Agents; Antiinflammatory and Antirheumatic Products; Drugs that are Mainly Renally Excreted; Antirheumatic Agents CCP(CC)(CC)=[Au]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1898 46507010 D00237 PA448510 DAP000757 Auranofin CHEMBL1366 1227 DB00996 Gabapentin BE0000691 CACNA2D1 P54289 CA2D1_HUMAN inhibitor 17067834; 18299583; 23435945 "Maneuf YP, Luo ZD, Lee K: alpha2delta and the mechanism of action of gabapentin in the treatment of pain. Semin Cell Dev Biol. 2006 Oct;17(5):565-70. Epub 2006 Sep 24.@@Hendrich J, Van Minh AT, Heblich F, Nieto-Rostro M, Watschinger K, Striessnig J, Wratten J, Davies A, Dolphin AC: Pharmacological disruption of calcium channel trafficking by the alpha2delta ligand gabapentin. Proc Natl Acad Sci U S A. 2008 Mar 4;105(9):3628-33. doi: 10.1073/pnas.0708930105. Epub 2008 Feb 25.@@Kukkar A, Bali A, Singh N, Jaggi AS: Implications and mechanism of action of gabapentin in neuropathic pain. Arch Pharm Res. 2013 Mar;36(3):237-51. doi: 10.1007/s12272-013-0057-y. Epub 2013 Feb 24." Approved; Investigational Gamma amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Sensory System Agents; Amines; Amino Acids, Peptides, and Proteins; Butyrates; Miscellaneous Anticonvulsants; Cycloparaffins; Central Nervous System Depressants; Photosensitizing Agents; Cyclohexanes; Amino Acids; Acids, Carbocyclic; Drugs causing inadvertant photosensitivity; Decreased Central Nervous System Disorganized Electrical Activity; Acids, Acyclic; Peripheral Nervous System Agents; Analgesics; Gabapentin and Prodrugs; Aminobutyrates; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anti-epileptic Agent; Cyclohexanecarboxylic Acids; Anticonvulsants; Gabapentinoids" NCC1(CC(O)=O)CCCCC1 470 46506529 D00332 PA449720 DNC000670 Gabapentin CHEMBL940 25480 DB00996 Gabapentin BE0009351 CACNA1B Q00975 CAC1B_HUMAN inhibitor 16368827 "Cheng JK, Chen CC, Yang JR, Chiou LC: The antiallodynic action target of intrathecal gabapentin: Ca2+ channels, KATP channels or N-methyl-d-aspartic acid receptors? Anesth Analg. 2006 Jan;102(1):182-7." Approved; Investigational Gamma amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Sensory System Agents; Amines; Amino Acids, Peptides, and Proteins; Butyrates; Miscellaneous Anticonvulsants; Cycloparaffins; Central Nervous System Depressants; Photosensitizing Agents; Cyclohexanes; Amino Acids; Acids, Carbocyclic; Drugs causing inadvertant photosensitivity; Decreased Central Nervous System Disorganized Electrical Activity; Acids, Acyclic; Peripheral Nervous System Agents; Analgesics; Gabapentin and Prodrugs; Aminobutyrates; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anti-epileptic Agent; Cyclohexanecarboxylic Acids; Anticonvulsants; Gabapentinoids" NCC1(CC(O)=O)CCCCC1 470 46506529 D00332 PA449720 DNC000670 Gabapentin CHEMBL940 25480 DB00996 Gabapentin BE0002398 KCNQ3 O43525 KCNQ3_HUMAN activator 30021858 "Manville RW, Abbott GW: Gabapentin Is a Potent Activator of KCNQ3 and KCNQ5 Potassium Channels. Mol Pharmacol. 2018 Oct;94(4):1155-1163. doi: 10.1124/mol.118.112953. Epub 2018 Jul 18." Approved; Investigational Gamma amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Sensory System Agents; Amines; Amino Acids, Peptides, and Proteins; Butyrates; Miscellaneous Anticonvulsants; Cycloparaffins; Central Nervous System Depressants; Photosensitizing Agents; Cyclohexanes; Amino Acids; Acids, Carbocyclic; Drugs causing inadvertant photosensitivity; Decreased Central Nervous System Disorganized Electrical Activity; Acids, Acyclic; Peripheral Nervous System Agents; Analgesics; Gabapentin and Prodrugs; Aminobutyrates; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anti-epileptic Agent; Cyclohexanecarboxylic Acids; Anticonvulsants; Gabapentinoids" NCC1(CC(O)=O)CCCCC1 470 46506529 D00332 PA449720 DNC000670 Gabapentin CHEMBL940 25480 DB00996 Gabapentin BE0002400 KCNQ5 Q9NR82 KCNQ5_HUMAN activator 30021858 "Manville RW, Abbott GW: Gabapentin Is a Potent Activator of KCNQ3 and KCNQ5 Potassium Channels. Mol Pharmacol. 2018 Oct;94(4):1155-1163. doi: 10.1124/mol.118.112953. Epub 2018 Jul 18." Approved; Investigational Gamma amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Sensory System Agents; Amines; Amino Acids, Peptides, and Proteins; Butyrates; Miscellaneous Anticonvulsants; Cycloparaffins; Central Nervous System Depressants; Photosensitizing Agents; Cyclohexanes; Amino Acids; Acids, Carbocyclic; Drugs causing inadvertant photosensitivity; Decreased Central Nervous System Disorganized Electrical Activity; Acids, Acyclic; Peripheral Nervous System Agents; Analgesics; Gabapentin and Prodrugs; Aminobutyrates; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anti-epileptic Agent; Cyclohexanecarboxylic Acids; Anticonvulsants; Gabapentinoids" NCC1(CC(O)=O)CCCCC1 470 46506529 D00332 PA449720 DNC000670 Gabapentin CHEMBL940 25480 DB00997 Doxorubicin BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 11752352; 17010609; 17351394; 17016621; 17578914; 17089011; 30391699 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Rody A, Karn T, Gatje R, Ahr A, Solbach C, Kourtis K, Munnes M, Loibl S, Kissler S, Ruckhaberle E, Holtrich U, von Minckwitz G, Kaufmann M: Gene expression profiling of breast cancer patients treated with docetaxel, doxorubicin, and cyclophosphamide within the GEPARTRIO trial: HER-2, but not topoisomerase II alpha and microtubule-associated protein tau, is highly predictive of tumor response. Breast. 2007 Feb;16(1):86-93. Epub 2006 Sep 28.@@Koehn H, Magan N, Isaacs RJ, Stowell KM: Differential regulation of DNA repair protein Rad51 in human tumour cell lines exposed to doxorubicin. Anticancer Drugs. 2007 Apr;18(4):419-25.@@Hayashi S, Hatashita M, Matsumoto H, Shioura H, Kitai R, Kano E: Enhancement of radiosensitivity by topoisomerase II inhibitor, amrubicin and amrubicinol, in human lung adenocarcinoma A549 cells and kinetics of apoptosis and necrosis induction. Int J Mol Med. 2006 Nov;18(5):909-15.@@Azarova AM, Lyu YL, Lin CP, Tsai YC, Lau JY, Wang JC, Liu LF: Roles of DNA topoisomerase II isozymes in chemotherapy and secondary malignancies. Proc Natl Acad Sci U S A. 2007 Jun 26;104(26):11014-9. Epub 2007 Jun 19.@@Menendez JA, Vellon L, Lupu R: DNA topoisomerase IIalpha (TOP2A) inhibitors up-regulate fatty acid synthase gene expression in SK-Br3 breast cancer cells: in vitro evidence for a 'functional amplicon' involving FAS, Her-2/neu and TOP2A genes. Int J Mol Med. 2006 Dec;18(6):1081-7.@@Khalil OM, Gedawy EM, El-Malah AA, Adly ME: Novel nalidixic acid derivatives targeting topoisomerase II enzyme; Design, synthesis, anticancer activity and effect on cell cycle profile. Bioorg Chem. 2019 Mar;83:262-276. doi: 10.1016/j.bioorg.2018.10.058. Epub 2018 Oct 30." Approved; Investigational Anthracyclines Organic compounds; Phenylpropanoids and polyketides; Anthracyclines "Cytotoxic Antibiotics and Related Substances; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Glycosides; Enzyme Inhibitors; Carbohydrates; Topoisomerase Inhibitors; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Anthracyclines and Related Substances; BSEP/ABCB11 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Topoisomerase II Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Anthracyclines; Anthracycline Topoisomerase Inhibitor; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs" COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O Doxorubicin Metabolism Pathway drug_metabolism 2298 46507641 D03899 PA449412 DNC000163 Doxorubicin CHEMBL53463 3639 DB00997 Doxorubicin BE0005819 NOLC1 Q14978 NOLC1_HUMAN 17129415 "Kim YK, Lee WK, Jin Y, Lee KJ, Jeon H, Yu YG: Doxorubicin binds to un-phosphorylated form of hNopp140 and reduces protein kinase CK2-dependent phosphorylation of hNopp140. J Biochem Mol Biol. 2006 Nov 30;39(6):774-81." Approved; Investigational Anthracyclines Organic compounds; Phenylpropanoids and polyketides; Anthracyclines "Cytotoxic Antibiotics and Related Substances; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Glycosides; Enzyme Inhibitors; Carbohydrates; Topoisomerase Inhibitors; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Anthracyclines and Related Substances; BSEP/ABCB11 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Topoisomerase II Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Anthracyclines; Anthracycline Topoisomerase Inhibitor; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs" COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O Doxorubicin Metabolism Pathway drug_metabolism 2298 46507641 D03899 PA449412 DNC000163 Doxorubicin CHEMBL53463 3639 DB00997 Doxorubicin BE0000971 TOP1 P11387 TOP1_HUMAN inhibitor 30391699 "Khalil OM, Gedawy EM, El-Malah AA, Adly ME: Novel nalidixic acid derivatives targeting topoisomerase II enzyme; Design, synthesis, anticancer activity and effect on cell cycle profile. Bioorg Chem. 2019 Mar;83:262-276. doi: 10.1016/j.bioorg.2018.10.058. Epub 2018 Oct 30." Approved; Investigational Anthracyclines Organic compounds; Phenylpropanoids and polyketides; Anthracyclines "Cytotoxic Antibiotics and Related Substances; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Glycosides; Enzyme Inhibitors; Carbohydrates; Topoisomerase Inhibitors; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Anthracyclines and Related Substances; BSEP/ABCB11 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Topoisomerase II Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Anthracyclines; Anthracycline Topoisomerase Inhibitor; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs" COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O Doxorubicin Metabolism Pathway drug_metabolism 2298 46507641 D03899 PA449412 DNC000163 Doxorubicin CHEMBL53463 3639 DB00997 Doxorubicin BE0002425 TOP2B Q02880 TOP2B_HUMAN inhibitor 30391699 "Khalil OM, Gedawy EM, El-Malah AA, Adly ME: Novel nalidixic acid derivatives targeting topoisomerase II enzyme; Design, synthesis, anticancer activity and effect on cell cycle profile. Bioorg Chem. 2019 Mar;83:262-276. doi: 10.1016/j.bioorg.2018.10.058. Epub 2018 Oct 30." Approved; Investigational Anthracyclines Organic compounds; Phenylpropanoids and polyketides; Anthracyclines "Cytotoxic Antibiotics and Related Substances; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Glycosides; Enzyme Inhibitors; Carbohydrates; Topoisomerase Inhibitors; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Anthracyclines and Related Substances; BSEP/ABCB11 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Topoisomerase II Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Anthracyclines; Anthracycline Topoisomerase Inhibitor; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs" COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O Doxorubicin Metabolism Pathway drug_metabolism 2298 46507641 D03899 PA449412 DNC000163 Doxorubicin CHEMBL53463 3639 DB00999 Hydrochlorothiazide BE0000419 SLC12A3 P55017 S12A3_HUMAN inhibitor 11752352; 16078592; 16172412; 9596079; 9038817; 12772080; 10894798 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ran XW, Wang C, Dai F, Jiang JJ, Tong NW, Li XJ, Liang JZ: [A case of Gitelman's syndrome presenting with severe hypocalcaemia and hypokalemic periodic paralysis]. Sichuan Da Xue Xue Bao Yi Xue Ban. 2005 Jul;36(4):583-7.@@Turner ST, Schwartz GL, Chapman AB, Boerwinkle E: WNK1 kinase polymorphism and blood pressure response to a thiazide diuretic. Hypertension. 2005 Oct;46(4):758-65. Epub 2005 Sep 19.@@Abuladze N, Yanagawa N, Lee I, Jo OD, Newman D, Hwang J, Uyemura K, Pushkin A, Modlin RL, Kurtz I: Peripheral blood mononuclear cells express mutated NCCT mRNA in Gitelman's syndrome: evidence for abnormal thiazide-sensitive NaCl cotransport. J Am Soc Nephrol. 1998 May;9(5):819-26.@@Barry EL, Gesek FA, Kaplan MR, Hebert SC, Friedman PA: Expression of the sodium-chloride cotransporter in osteoblast-like cells: effect of thiazide diuretics. Am J Physiol. 1997 Jan;272(1 Pt 1):C109-16.@@Kurschat C, Heering P, Grabensee B: [Gitelman's syndrome: an important differential diagnosis of hypokalemia]. Dtsch Med Wochenschr. 2003 May 30;128(22):1225-8.@@Monroy A, Plata C, Hebert SC, Gamba G: Characterization of the thiazide-sensitive Na(+)-Cl(-) cotransporter: a new model for ions and diuretics interaction. Am J Physiol Renal Physiol. 2000 Jul;279(1):F161-9." Approved; Vet_approved "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "QTc Prolonging Agents; Low-Ceiling Diuretics and Potassium-Sparing Agents; OAT3/SLC22A8 Substrates; Antihypertensive Agents; Hyperglycemia-Associated Agents; Nephrotoxic agents; Amides; OAT1/SLC22A6 inhibitors; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Non Potassium Sparing Diuretics; Natriuretic Agents; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides" NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1 Hydrochlorothiazide Action Pathway drug_action 10234 46504440 D00340 PA449899 DAP000750 Hydrochlorothiazide CHEMBL435 5487 DB00999 Hydrochlorothiazide BE0000553 KCNMA1 Q12791 KCMA1_HUMAN inhibitor 9856976 "Pickkers P, Hughes AD, Russel FG, Thien T, Smits P: Thiazide-induced vasodilation in humans is mediated by potassium channel activation. Hypertension. 1998 Dec;32(6):1071-6. doi: 10.1161/01.hyp.32.6.1071." Approved; Vet_approved "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "QTc Prolonging Agents; Low-Ceiling Diuretics and Potassium-Sparing Agents; OAT3/SLC22A8 Substrates; Antihypertensive Agents; Hyperglycemia-Associated Agents; Nephrotoxic agents; Amides; OAT1/SLC22A6 inhibitors; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Non Potassium Sparing Diuretics; Natriuretic Agents; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides" NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1 Hydrochlorothiazide Action Pathway drug_action 10234 46504440 D00340 PA449899 DAP000750 Hydrochlorothiazide CHEMBL435 5487 DB01001 Salbutamol BE0001012 ADRB3 P13945 ADRB3_HUMAN 14730417 "Hoffmann C, Leitz MR, Oberdorf-Maass S, Lohse MJ, Klotz KN: Comparative pharmacology of human beta-adrenergic receptor subtypes--characterization of stably transfected receptors in CHO cells. Naunyn Schmiedebergs Arch Pharmacol. 2004 Feb;369(2):151-9. Epub 2004 Jan 17." Approved; Vet_approved Benzyl alcohols Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzyl alcohols "Adrenergic beta-Agonists; Selective Beta 2-adrenergic Agonists; QTc Prolonging Agents; Amines; Anti-Asthmatic Agents; Agents producing tachycardia; Tocolytic Agents; Autonomic Agents; Amino Alcohols; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Alcohols; Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Adrenergic Agonists; Sympathomimetic (Adrenergic) Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Phenethylamines; Adrenergics, Inhalants; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Adrenergic beta-2 Receptor Agonists; Ethanolamines; Adrenergic Agents; Reproductive Control Agents" CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1 2583 46505312 D02147 PA448068 DNC000873 Salbutamol CHEMBL714 435 DB01005 Hydroxyurea BE0000325 RRM1 P23921 RIR1_HUMAN inhibitor 15075397; 14583450; 20462199; 20005847 "Culligan K, Tissier A, Britt A: ATR regulates a G2-phase cell-cycle checkpoint in Arabidopsis thaliana. Plant Cell. 2004 May;16(5):1091-104. Epub 2004 Apr 9.@@Zhou B, Liu X, Mo X, Xue L, Darwish D, Qiu W, Shih J, Hwu EB, Luh F, Yen Y: The human ribonucleotide reductase subunit hRRM2 complements p53R2 in response to UV-induced DNA repair in cells with mutant p53. Cancer Res. 2003 Oct 15;63(20):6583-94.@@Jiang W, Xie J, Varano PT, Krebs C, Bollinger JM Jr: Two distinct mechanisms of inactivation of the class Ic ribonucleotide reductase from Chlamydia trachomatis by hydroxyurea: implications for the protein gating of intersubunit electron transfer. Biochemistry. 2010 Jun 29;49(25):5340-9. doi: 10.1021/bi100037b.@@Davies BW, Kohanski MA, Simmons LA, Winkler JA, Collins JJ, Walker GC: Hydroxyurea induces hydroxyl radical-mediated cell death in Escherichia coli. Mol Cell. 2009 Dec 11;36(5):845-60. doi: 10.1016/j.molcel.2009.11.024." Approved Carboximidic acids and derivatives Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives Cytochrome P-450 CYP2D6 Inhibitors; Antisickling Agents; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Myelosuppressive Agents; Nucleic Acid Synthesis Inhibitors; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Hematologic Agents; OATP1B1/SLCO1B1 Substrates; Amides; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Antineoplastic Agents NC(=O)NO 10140 46506927 D00341 PA449942 DAP000739 Hydroxycarbamide CHEMBL467 5552 DB01006 Letrozole BE0002090 CYP19A1 P11511 CP19A_HUMAN antagonist 11752352; 14505258; 15026471; 10388095 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ebert AD, Bartley J, David M, Schweppe KW: [Aromatase inhibitors--theoretical concept and present experiences in the treatment of endometriosis]. Zentralbl Gynakol. 2003 Jul-Aug;125(7-8):247-51.@@Long BJ, Jelovac D, Handratta V, Thiantanawat A, MacPherson N, Ragaz J, Goloubeva OG, Brodie AM: Therapeutic strategies using the aromatase inhibitor letrozole and tamoxifen in a breast cancer model. J Natl Cancer Inst. 2004 Mar 17;96(6):456-65.@@Murphy MJ Jr: Molecular Action and Clinical Relevance of Aromatase Inhibitors. Oncologist. 1998;3(2):129-130." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hormone Antagonists; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Estrogen Antagonists; Antineoplastic Agents; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2A6 Substrates; Aromatase Inhibitors; Nitriles; Cytochrome P-450 CYP3A4 Substrates; Steroid Synthesis Inhibitors; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Cytochrome P-450 CYP2C19 Inhibitors; Triazoles; Hormone Antagonists and Related Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N 11446 46504610 D00964 PA450196 DAP000626 Letrozole CHEMBL1444 72965 DB01007 Tioconazole BE0000875 CYP51A1 Q16850 CP51A_HUMAN inhibitor 17139284; 17016423; 15625110; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Fliri AF, Loging WT, Thadeio PF, Volkmann RA: Biological spectra analysis: Linking biological activity profiles to molecular structure. Proc Natl Acad Sci U S A. 2005 Jan 11;102(2):261-6. Epub 2004 Dec 29.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Benzylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers "Imidazole Derivatives; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Dermatologicals; Hormone Antagonists; Antifungal Agents; 14-alpha Demethylase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Antifungals for Dermatological Use; Genito Urinary System and Sex Hormones; Azole Antifungals; Imidazole and Triazole Derivatives; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Antifungal Agents (Vaginal); Steroid Synthesis Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Anti-Infective Agents; Antifungals for Topical Use; Cytochrome P-450 CYP2C19 Inhibitors; Gynecological Antiinfectives and Antiseptics; Hormones, Hormone Substitutes, and Hormone Antagonists" ClC1=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=CS1 1808 46508604 D00890 PA164746156 DAP001268 Tioconazole CHEMBL1200438 38298 DB01010 Edrophonium BE0002180 BCHE P06276 CHLE_HUMAN inhibitor 1438284; 9398183 "Harel M, Sussman JL, Krejci E, Bon S, Chanal P, Massoulie J, Silman I: Conversion of acetylcholinesterase to butyrylcholinesterase: modeling and mutagenesis. Proc Natl Acad Sci U S A. 1992 Nov 15;89(22):10827-31.@@Saxena A, Redman AM, Jiang X, Lockridge O, Doctor BP: Differences in active site gorge dimensions of cholinesterases revealed by binding of inhibitors to human butyrylcholinesterase. Biochemistry. 1997 Dec 2;36(48):14642-51." Approved Aniline and substituted anilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines "Phenylammonium Compounds; Quaternary Ammonium Compounds; Diagnostic Agents; Antidotes; Amines; Enzyme Inhibitors; Onium Compounds; Cholinesterase Inhibitors; Neurotransmitter Agents; Protective Agents; Cholinergic Agents; Drugs that are Mainly Renally Excreted; Compounds used in a research, industrial, or household setting" CC[N+](C)(C)C1=CC(O)=CC=C1 6289 46507530 PA449437 DAP000562 Edrophonium CHEMBL1104 3752 DB01013 Clobetasol propionate BE0000794 NR3C1 P04150 GCR_HUMAN agonist 16255837; 9891987; 15634032 "Fitzgerald P, O'Brien SM, Scully P, Rijkers K, Scott LV, Dinan TG: Cutaneous glucocorticoid receptor sensitivity and pro-inflammatory cytokine levels in antidepressant-resistant depression. Psychol Med. 2006 Jan;36(1):37-43. Epub 2005 Oct 28.@@Hofmann TG, Hehner SP, Bacher S, Droge W, Schmitz ML: Various glucocorticoids differ in their ability to induce gene expression, apoptosis and to repress NF-kappaB-dependent transcription. FEBS Lett. 1998 Dec 28;441(3):441-6.@@Czock D, Keller F, Rasche FM, Haussler U: Pharmacokinetics and pharmacodynamics of systemically administered glucocorticoids. Clin Pharmacokinet. 2005;44(1):61-98. doi: 10.2165/00003088-200544010-00003." Approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Pregnadienetriols; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7558 46505670 D01272 PA164744375 DAP001183 Clobetasol_propionate CHEMBL1159650 21245 DB01013 Clobetasol propionate BE0000422 ANXA1 P04083 ANXA1_HUMAN inducer 8060156 "Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72." Approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Pregnadienetriols; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7558 46505670 D01272 PA164744375 DAP001183 Clobetasol_propionate CHEMBL1159650 21245 DB01013 Clobetasol propionate BE0000668 NR3C2 P08235 MCR_HUMAN agonist Approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Pregnadienetriols; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7558 46505670 D01272 PA164744375 DAP001183 Clobetasol_propionate CHEMBL1159650 21245 DB01014 Balsalazide BE0000215 PPARG P37231 PPARG_HUMAN agonist 19708827; 20151072; 16939423; 18077625 "Tursi A: Balsalazide in treating colonic diseases. Expert Opin Drug Metab Toxicol. 2009 Dec;5(12):1555-63. doi: 10.1517/17425250903228842.@@Iacucci M, de Silva S, Ghosh S: Mesalazine in inflammatory bowel disease: a trendy topic once again? Can J Gastroenterol. 2010 Feb;24(2):127-33.@@Desreumaux P, Ghosh S: Review article: mode of action and delivery of 5-aminosalicylic acid - new evidence. Aliment Pharmacol Ther. 2006 Sep;24 Suppl 1:2-9.@@Linard C, Gremy O, Benderitter M: Reduction of peroxisome proliferation-activated receptor gamma expression by gamma-irradiation as a mechanism contributing to inflammatory response in rat colon: modulation by the 5-aminosalicylic acid agonist. J Pharmacol Exp Ther. 2008 Mar;324(3):911-20. Epub 2007 Dec 12." Approved; Investigational Azobenzenes Organic compounds; Organoheterocyclic compounds; Azobenzenes "Non COX-2 selective NSAIDS; Sensory System Agents; Anti-Inflammatory Agents; Nephrotoxic agents; Hydroxybenzoates; Benzene Derivatives; Gastrointestinal Agents; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Benzoates; Hydroxy Acids; Phenols; Inflammatory Bowel Diseases; Prodrugs; Hydrazines; Salicylates; Alimentary Tract and Metabolism; Aminobenzoates; Aminosalicylate; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Aminosalicylic Acids; Acids, Carbocyclic; Colitis, Ulcerative; Analgesics, Non-Narcotic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Intestinal Antiinflammatory Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); meta-Aminobenzoates" OC(=O)CCNC(=O)C1=CC=C(C=C1)\N=N\C1=CC=C(O)C(=C1)C(O)=O 46505592 D07488 PA448536 DAP000733 Balsalazide CHEMBL1201346 18747 DB01016 Glyburide BE0000469 ABCC9 O60706 ABCC9_HUMAN modulator 12145099; 14672537; 15023854; 16845255; 17294036 "Hambrock A, Loffler-Walz C, Quast U: Glibenclamide binding to sulphonylurea receptor subtypes: dependence on adenine nucleotides. Br J Pharmacol. 2002 Aug;136(7):995-1004.@@Rainbow RD, James M, Hudman D, Al Johi M, Singh H, Watson PJ, Ashmole I, Davies NW, Lodwick D, Norman RI: Proximal C-terminal domain of sulphonylurea receptor 2A interacts with pore-forming Kir6 subunits in KATP channels. Biochem J. 2004 Apr 1;379(Pt 1):173-81.@@Felsch H, Lange U, Hambrock A, Loffler-Walz C, Russ U, Carroll WA, Gopalakrishnan M, Quast U: Interaction of a novel dihydropyridine K+ channel opener, A-312110, with recombinant sulphonylurea receptors and KATP channels: comparison with the cyanoguanidine P1075. Br J Pharmacol. 2004 Apr;141(7):1098-105. Epub 2004 Mar 15.@@Zhao JL, Yang YJ, You SJ, Jing ZC, Wu YJ, Cheng JL, Gao RL: Pretreatment with fosinopril or valsartan reduces myocardial no-reflow after acute myocardial infarction and reperfusion. Coron Artery Dis. 2006 Aug;17(5):463-9.@@Wang YH, Zheng HY, Qin NL, Yu SB, Liu SY: Involvement of ATP-sensitive potassium channels in proliferation and differentiation of rat preadipocytes. Sheng Li Xue Bao. 2007 Feb 25;59(1):8-12." Approved Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides Insulin Secretagogues; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Blood Glucose Lowering Agents; Oral Hypoglycemics; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Sulfonylureas; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; OATP2B1/SLCO2B1 substrates; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; BSEP/ABCB11 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1 Glibenclamide Action Pathway drug_action 4007 46509154 D00336 PA449782 DAP000037 Glibenclamide CHEMBL472 4815 DB01016 Glyburide BE0000703 ABCB11 O95342 ABCBB_HUMAN inhibitor 12404239; 15465654; 15618715 "Byrne JA, Strautnieks SS, Mieli-Vergani G, Higgins CF, Linton KJ, Thompson RJ: The human bile salt export pump: characterization of substrate specificity and identification of inhibitors. Gastroenterology. 2002 Nov;123(5):1649-58.@@Kemp DC, Brouwer KL: Viability assessment in sandwich-cultured rat hepatocytes after xenobiotic exposure. Toxicol In Vitro. 2004 Dec;18(6):869-77.@@Horikawa M, Kato Y, Tyson CA, Sugiyama Y: Potential cholestatic activity of various therapeutic agents assessed by bile canalicular membrane vesicles isolated from rats and humans. Drug Metab Pharmacokinet. 2003;18(1):16-22." Approved Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides Insulin Secretagogues; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Blood Glucose Lowering Agents; Oral Hypoglycemics; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Sulfonylureas; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; OATP2B1/SLCO2B1 substrates; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; BSEP/ABCB11 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1 Glibenclamide Action Pathway drug_action 4007 46509154 D00336 PA449782 DAP000037 Glibenclamide CHEMBL472 4815 DB01016 Glyburide BE0000406 CPT1A P50416 CPT1A_HUMAN inhibitor 3090894; 3104327 Patel TB: Effect of sulfonylureas on hepatic fatty acid oxidation. Am J Physiol. 1986 Aug;251(2 Pt 1):E241-6.@@Cook GA: The hypoglycemic sulfonylureas glyburide and tolbutamide inhibit fatty acid oxidation by inhibiting carnitine palmitoyltransferase. J Biol Chem. 1987 Apr 15;262(11):4968-72. Approved Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides Insulin Secretagogues; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Blood Glucose Lowering Agents; Oral Hypoglycemics; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Sulfonylureas; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; OATP2B1/SLCO2B1 substrates; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; BSEP/ABCB11 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1 Glibenclamide Action Pathway drug_action 4007 46509154 D00336 PA449782 DAP000037 Glibenclamide CHEMBL472 4815 DB01016 Glyburide BE0001195 CFTR P13569 CFTR_HUMAN antagonist 12202948; 12391048; 12407077; 14729151; 15365090 "Reddy MM, Quinton PM: Effect of anion transport blockers on CFTR in the human sweat duct. J Membr Biol. 2002 Sep 1;189(1):15-25.@@Jiang J, Song Y, Bai C, Koller BH, Matthay MA, Verkman AS: Pleural surface fluorescence measurement of Na+ and Cl- transport across the air space-capillary barrier. J Appl Physiol (1985). 2003 Jan;94(1):343-52. Epub 2002 Aug 30.@@Zhou Z, Hu S, Hwang TC: Probing an open CFTR pore with organic anion blockers. J Gen Physiol. 2002 Nov;120(5):647-62.@@Larsen EH, Amstrup J, Willumsen NJ: Beta-adrenergic receptors couple to CFTR chloride channels of intercalated mitochondria-rich cells in the heterocellular toad skin epithelium. Biochim Biophys Acta. 2003 Dec 30;1618(2):140-52.@@Lee SY, Lee CO: Inhibition of Na+-K+ pump and L-type Ca2+ channel by glibenclamide in Guinea pig ventricular myocytes. J Pharmacol Exp Ther. 2005 Jan;312(1):61-8. Epub 2004 Sep 13." Approved Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides Insulin Secretagogues; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Blood Glucose Lowering Agents; Oral Hypoglycemics; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Sulfonylureas; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; OATP2B1/SLCO2B1 substrates; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; BSEP/ABCB11 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1 Glibenclamide Action Pathway drug_action 4007 46509154 D00336 PA449782 DAP000037 Glibenclamide CHEMBL472 4815 DB01017 Minocycline BE0001162 CASP3 P42574 CASP3_HUMAN negative modulator 10888929; 12112047; 14568022; 14588118; 15304547; 18977395 "Chen M, Ona VO, Li M, Ferrante RJ, Fink KB, Zhu S, Bian J, Guo L, Farrell LA, Hersch SM, Hobbs W, Vonsattel JP, Cha JH, Friedlander RM: Minocycline inhibits caspase-1 and caspase-3 expression and delays mortality in a transgenic mouse model of Huntington disease. Nat Med. 2000 Jul;6(7):797-801.@@Arvin KL, Han BH, Du Y, Lin SZ, Paul SM, Holtzman DM: Minocycline markedly protects the neonatal brain against hypoxic-ischemic injury. Ann Neurol. 2002 Jul;52(1):54-61.@@Dommergues MA, Plaisant F, Verney C, Gressens P: Early microglial activation following neonatal excitotoxic brain damage in mice: a potential target for neuroprotection. Neuroscience. 2003;121(3):619-28.@@Lee SM, Yune TY, Kim SJ, Park DW, Lee YK, Kim YC, Oh YJ, Markelonis GJ, Oh TH: Minocycline reduces cell death and improves functional recovery after traumatic spinal cord injury in the rat. J Neurotrauma. 2003 Oct;20(10):1017-27.@@Baptiste DC, Hartwick AT, Jollimore CA, Baldridge WH, Seigel GM, Kelly ME: An investigation of the neuroprotective effects of tetracycline derivatives in experimental models of retinal cell death. Mol Pharmacol. 2004 Nov;66(5):1113-22. Epub 2004 Aug 10.@@Kim HS, Suh YH: Minocycline and neurodegenerative diseases. Behav Brain Res. 2009 Jan 23;196(2):168-79. doi: 10.1016/j.bbr.2008.09.040. Epub 2008 Oct 11." Approved; Investigational Tetracyclines Organic compounds; Phenylpropanoids and polyketides; Tetracyclines Anti-Acne Preparations for Topical Use; Agents that produce neuromuscular block (indirect); Naphthacenes; Anti-Bacterial Agents; Dermatologicals; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; Anti-Acne Preparations; Antiinfectives and Antiseptics for Local Oral Treatment; Antiinfectives for Treatment of Acne; Photosensitizing Agents; Stomatological Preparations; Alimentary Tract and Metabolism; Agents Causing Muscle Toxicity; Drugs causing inadvertant photosensitivity; Antibacterials for Systemic Use; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Tetracyclines [H][C@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2 Minocycline Action Pathway drug_action 8646 46504772 D05045 PA450519 DAP000405 Minocycline CHEMBL1434 6980 DB01017 Minocycline BE0009853 MAPK1 P45984 MK09_HUMAN inhibitor 11986668 "Zhu S, Stavrovskaya IG, Drozda M, Kim BY, Ona V, Li M, Sarang S, Liu AS, Hartley DM, Wu DC, Gullans S, Ferrante RJ, Przedborski S, Kristal BS, Friedlander RM: Minocycline inhibits cytochrome c release and delays progression of amyotrophic lateral sclerosis in mice. Nature. 2002 May 2;417(6884):74-8." Approved; Investigational Tetracyclines Organic compounds; Phenylpropanoids and polyketides; Tetracyclines Anti-Acne Preparations for Topical Use; Agents that produce neuromuscular block (indirect); Naphthacenes; Anti-Bacterial Agents; Dermatologicals; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; Anti-Acne Preparations; Antiinfectives and Antiseptics for Local Oral Treatment; Antiinfectives for Treatment of Acne; Photosensitizing Agents; Stomatological Preparations; Alimentary Tract and Metabolism; Agents Causing Muscle Toxicity; Drugs causing inadvertant photosensitivity; Antibacterials for Systemic Use; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Tetracyclines [H][C@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2 Minocycline Action Pathway drug_action 8646 46504772 D05045 PA450519 DAP000405 Minocycline CHEMBL1434 6980 DB01017 Minocycline BE0000005 NOS2 P35228 NOS2_HUMAN inhibitor 11986668 "Zhu S, Stavrovskaya IG, Drozda M, Kim BY, Ona V, Li M, Sarang S, Liu AS, Hartley DM, Wu DC, Gullans S, Ferrante RJ, Przedborski S, Kristal BS, Friedlander RM: Minocycline inhibits cytochrome c release and delays progression of amyotrophic lateral sclerosis in mice. Nature. 2002 May 2;417(6884):74-8." Approved; Investigational Tetracyclines Organic compounds; Phenylpropanoids and polyketides; Tetracyclines Anti-Acne Preparations for Topical Use; Agents that produce neuromuscular block (indirect); Naphthacenes; Anti-Bacterial Agents; Dermatologicals; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; Anti-Acne Preparations; Antiinfectives and Antiseptics for Local Oral Treatment; Antiinfectives for Treatment of Acne; Photosensitizing Agents; Stomatological Preparations; Alimentary Tract and Metabolism; Agents Causing Muscle Toxicity; Drugs causing inadvertant photosensitivity; Antibacterials for Systemic Use; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Tetracyclines [H][C@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2 Minocycline Action Pathway drug_action 8646 46504772 D05045 PA450519 DAP000405 Minocycline CHEMBL1434 6980 DB01019 Bethanechol BE0000045 CHRM3 P20309 ACM3_HUMAN agonist 9224827; 32809422; 31985923 "Jakubik J, Bacakova L, El-Fakahany EE, Tucek S: Positive cooperativity of acetylcholine and other agonists with allosteric ligands on muscarinic acetylcholine receptors. Mol Pharmacol. 1997 Jul;52(1):172-9.@@Padda IS, Derian A: Bethanechol .@@Bui T, Duong H: Muscarinic Agonists ." Approved Tetraalkylammonium salts Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts "Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Trimethyl Ammonium Compounds; Cholinergic Agents; Autonomic Agents; Carbamates; Choline Esters; Parasympathomimetics; Muscarinic Agonists; Onium Compounds; Acids, Acyclic; Peripheral Nervous System Agents; Cholinergic Agonists; Parasympathomemetic (Cholinergic) Agents; Neurotransmitter Agents; Ammonium Compounds; Nervous System; Bethanechol Compounds" CC(C[N+](C)(C)C)OC(N)=O 5440 46507707 PA448613 DAP000263 Bethanechol CHEMBL1482 19257 DB01019 Bethanechol BE0000560 CHRM2 P08172 ACM2_HUMAN agonist 17139284; 17016423; 17413603; 11798291; 16953191; 32809422 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Agrawal A, Hila A, Tutuian R, Mainie I, Castell DO: Bethanechol improves smooth muscle function in patients with severe ineffective esophageal motility. J Clin Gastroenterol. 2007 Apr;41(4):366-70.@@Buranakarl C, Kijtawornrat A, Angkanaporn K, Komolvanich S, Bovee KC: Effects of bethanechol on canine urinary bladder smooth muscle function. Res Vet Sci. 2001 Dec;71(3):175-81.@@Cruzblanca H: An M2-like muscarinic receptor enhances a delayed rectifier K+ current in rat sympathetic neurones. Br J Pharmacol. 2006 Oct;149(4):441-9. Epub 2006 Sep 4.@@Padda IS, Derian A: Bethanechol ." Approved Tetraalkylammonium salts Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts "Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Trimethyl Ammonium Compounds; Cholinergic Agents; Autonomic Agents; Carbamates; Choline Esters; Parasympathomimetics; Muscarinic Agonists; Onium Compounds; Acids, Acyclic; Peripheral Nervous System Agents; Cholinergic Agonists; Parasympathomemetic (Cholinergic) Agents; Neurotransmitter Agents; Ammonium Compounds; Nervous System; Bethanechol Compounds" CC(C[N+](C)(C)C)OC(N)=O 5440 46507707 PA448613 DAP000263 Bethanechol CHEMBL1482 19257 DB01019 Bethanechol BE0000247 CHRM5 P08912 ACM5_HUMAN agonist 32809422 "Padda IS, Derian A: Bethanechol ." Approved Tetraalkylammonium salts Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts "Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Trimethyl Ammonium Compounds; Cholinergic Agents; Autonomic Agents; Carbamates; Choline Esters; Parasympathomimetics; Muscarinic Agonists; Onium Compounds; Acids, Acyclic; Peripheral Nervous System Agents; Cholinergic Agonists; Parasympathomemetic (Cholinergic) Agents; Neurotransmitter Agents; Ammonium Compounds; Nervous System; Bethanechol Compounds" CC(C[N+](C)(C)C)OC(N)=O 5440 46507707 PA448613 DAP000263 Bethanechol CHEMBL1482 19257 DB01020 Isosorbide mononitrate BE0003578 GUCY1A2 P33402 GCYA2_HUMAN activator 1852778; 20089135; 25446162 "Moncada S, Palmer RM, Higgs EA: Nitric oxide: physiology, pathophysiology, and pharmacology. Pharmacol Rev. 1991 Jun;43(2):109-42.@@Mancuso C, Navarra P, Preziosi P: Roles of nitric oxide, carbon monoxide, and hydrogen sulfide in the regulation of the hypothalamic-pituitary-adrenal axis. J Neurochem. 2010 May;113(3):563-75. doi: 10.1111/j.1471-4159.2010.06606.x. Epub 2010 Jan 20.@@Munzel T, Steven S, Daiber A: Organic nitrates: update on mechanisms underlying vasodilation, tolerance and endothelial dysfunction. Vascul Pharmacol. 2014 Dec;63(3):105-13. doi: 10.1016/j.vph.2014.09.002. Epub 2014 Oct 14." Approved Isosorbides Organic compounds; Organoheterocyclic compounds; Furofurans; Isosorbides Hypotensive Agents; Cardiovascular Agents; Nitric Oxide Donors; Sugar Alcohols; Vasodilators Used in Cardiac Diseases; Organic Nitrates; Cardiac Therapy; Vasodilation; Carbohydrates; Vasodilating Agents; Alcohols; Antianginal Agents; Delayed-Action Preparations; Nitrate Vasodilator; Drugs that are Mainly Renally Excreted; Methemoglobinemia Associated Agents; Nitrates and Nitrites [H][C@]12OC[C@@H](O[N+]([O-])=O)[C@@]1([H])OC[C@@H]2O 1298 46506594 D00630 PA450126 DAP001058 Isosorbide_mononitrate CHEMBL1311 28004 DB01021 Trichlormethiazide BE0000419 SLC12A3 P55017 S12A3_HUMAN inhibitor 17414671; 14610216; 20187262; 11752352 "Li J, Wang DH: Function and regulation of epithelial sodium transporters in the kidney of a salt-sensitive hypertensive rat model. J Hypertens. 2007 May;25(5):1065-72.@@Hasannejad H, Takeda M, Taki K, Shin HJ, Babu E, Jutabha P, Khamdang S, Aleboyeh M, Onozato ML, Tojo A, Enomoto A, Anzai N, Narikawa S, Huang XL, Niwa T, Endou H: Interactions of human organic anion transporters with diuretics. J Pharmacol Exp Ther. 2004 Mar;308(3):1021-9. Epub 2003 Nov 10.@@Smith SM: Thiazide diuretics. N Engl J Med. 2010 Feb 18;362(7):659-60; author reply 660.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Vet_approved "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "Natriuretic Agents; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Low-Ceiling Diuretics and Potassium-Sparing Agents; Sulfones; Sulfonamides; Diuretics; Antihypertensive Agents; Hyperglycemia-Associated Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators; Thiazides" NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl Trichlormethiazide Action Pathway drug_action 9580 46508880 D00658 PA164752426 DAP000035 Trichlormethiazide CHEMBL1054 10772 DB01021 Trichlormethiazide BE0000732 ATP1A1 P05023 AT1A1_HUMAN inhibitor 7752578 "Takahashi N, Kondo Y, Fujiwara I, Ito O, Igarashi Y, Abe K: Characterization of Na+ transport across the cell membranes of the ascending thin limb of Henle's loop. Kidney Int. 1995 Mar;47(3):789-94." Approved; Vet_approved "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "Natriuretic Agents; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Low-Ceiling Diuretics and Potassium-Sparing Agents; Sulfones; Sulfonamides; Diuretics; Antihypertensive Agents; Hyperglycemia-Associated Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators; Thiazides" NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl Trichlormethiazide Action Pathway drug_action 9580 46508880 D00658 PA164752426 DAP000035 Trichlormethiazide CHEMBL1054 10772 DB01021 Trichlormethiazide BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 17139284; 17016423; 19119014 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Temperini C, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Comparison of chlorthalidone, indapamide, trichloromethiazide, and furosemide X-ray crystal structures in adducts with isozyme II, when several water molecules make the difference. Bioorg Med Chem. 2009 Feb 1;17(3):1214-21. doi: 10.1016/j.bmc.2008.12.023. Epub 2008 Dec 24." Approved; Vet_approved "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "Natriuretic Agents; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Low-Ceiling Diuretics and Potassium-Sparing Agents; Sulfones; Sulfonamides; Diuretics; Antihypertensive Agents; Hyperglycemia-Associated Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators; Thiazides" NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl Trichlormethiazide Action Pathway drug_action 9580 46508880 D00658 PA164752426 DAP000035 Trichlormethiazide CHEMBL1054 10772 DB01023 Felodipine BE0000430 CACNA1C Q13936 CAC1C_HUMAN inhibitor 11752352; 10525060; 17475903 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Furukawa T, Yamakawa T, Midera T, Sagawa T, Mori Y, Nukada T: Selectivities of dihydropyridine derivatives in blocking Ca(2+) channel subtypes expressed in Xenopus oocytes. J Pharmacol Exp Ther. 1999 Nov;291(2):464-73.@@Zahradnikova A, Minarovic I, Zahradnik I: Competitive and cooperative effects of Bay K8644 on the L-type calcium channel current inhibition by calcium channel antagonists. J Pharmacol Exp Ther. 2007 Aug;322(2):638-45. Epub 2007 May 2." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong) CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC Felodipine Metabolism Pathway; Felodipine Action Pathway drug_metabolism; drug_action 1249 46506968 D00319 PA449591 DAP000487 Felodipine CHEMBL1480 4316 DB01023 Felodipine BE0000691 CACNA2D1 P54289 CA2D1_HUMAN inhibitor 11752352; 10525060; 17475903 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Furukawa T, Yamakawa T, Midera T, Sagawa T, Mori Y, Nukada T: Selectivities of dihydropyridine derivatives in blocking Ca(2+) channel subtypes expressed in Xenopus oocytes. J Pharmacol Exp Ther. 1999 Nov;291(2):464-73.@@Zahradnikova A, Minarovic I, Zahradnik I: Competitive and cooperative effects of Bay K8644 on the L-type calcium channel current inhibition by calcium channel antagonists. J Pharmacol Exp Ther. 2007 Aug;322(2):638-45. Epub 2007 May 2." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong) CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC Felodipine Metabolism Pathway; Felodipine Action Pathway drug_metabolism; drug_action 1249 46506968 D00319 PA449591 DAP000487 Felodipine CHEMBL1480 4316 DB01023 Felodipine BE0002354 CACNB2 Q08289 CACB2_HUMAN inhibitor 11752352; 10525060; 17475903 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Furukawa T, Yamakawa T, Midera T, Sagawa T, Mori Y, Nukada T: Selectivities of dihydropyridine derivatives in blocking Ca(2+) channel subtypes expressed in Xenopus oocytes. J Pharmacol Exp Ther. 1999 Nov;291(2):464-73.@@Zahradnikova A, Minarovic I, Zahradnik I: Competitive and cooperative effects of Bay K8644 on the L-type calcium channel current inhibition by calcium channel antagonists. J Pharmacol Exp Ther. 2007 Aug;322(2):638-45. Epub 2007 May 2." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong) CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC Felodipine Metabolism Pathway; Felodipine Action Pathway drug_metabolism; drug_action 1249 46506968 D00319 PA449591 DAP000487 Felodipine CHEMBL1480 4316 DB01023 Felodipine BE0002359 CACNA1D Q01668 CAC1D_HUMAN inhibitor 19029287 "Sinnegger-Brauns MJ, Huber IG, Koschak A, Wild C, Obermair GJ, Einzinger U, Hoda JC, Sartori SB, Striessnig J: Expression and 1,4-dihydropyridine-binding properties of brain L-type calcium channel isoforms. Mol Pharmacol. 2009 Feb;75(2):407-14. doi: 10.1124/mol.108.049981. Epub 2008 Nov 24." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong) CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC Felodipine Metabolism Pathway; Felodipine Action Pathway drug_metabolism; drug_action 1249 46506968 D00319 PA449591 DAP000487 Felodipine CHEMBL1480 4316 DB01023 Felodipine BE0002355 CACNA1S Q13698 CAC1S_HUMAN inhibitor 16675661 "Peterson BZ, Catterall WA: Allosteric interactions required for high-affinity binding of dihydropyridine antagonists to Ca(V)1.1 Channels are modulated by calcium in the pore. Mol Pharmacol. 2006 Aug;70(2):667-75. Epub 2006 May 4." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong) CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC Felodipine Metabolism Pathway; Felodipine Action Pathway drug_metabolism; drug_action 1249 46506968 D00319 PA449591 DAP000487 Felodipine CHEMBL1480 4316 DB01023 Felodipine BE0000864 CACNA1H O95180 CAC1H_HUMAN inhibitor 1281221; 18974361 "Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28.@@Perez-Reyes E, Van Deusen AL, Vitko I: Molecular pharmacology of human Cav3.2 T-type Ca2+ channels: block by antihypertensives, antiarrhythmics, and their analogs. J Pharmacol Exp Ther. 2009 Feb;328(2):621-7. doi: 10.1124/jpet.108.145672. Epub 2008 Oct 30." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong) CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC Felodipine Metabolism Pathway; Felodipine Action Pathway drug_metabolism; drug_action 1249 46506968 D00319 PA449591 DAP000487 Felodipine CHEMBL1480 4316 DB01023 Felodipine BE0003565 PDE1A P54750 PDE1A_HUMAN inhibitor 2933041; 9231746 "Lamers JM, Cysouw KJ, Verdouw PD: Slow calcium channel blockers and calmodulin. Effect of felodipine, nifedipine, prenylamine and bepridil on cardiac sarcolemmal calcium pumping ATPase. Biochem Pharmacol. 1985 Nov 1;34(21):3837-43.@@Sharma RK, Wang JH, Wu Z: Mechanisms of inhibition of calmodulin-stimulated cyclic nucleotide phosphodiesterase by dihydropyridine calcium antagonists. J Neurochem. 1997 Aug;69(2):845-50." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong) CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC Felodipine Metabolism Pathway; Felodipine Action Pathway drug_metabolism; drug_action 1249 46506968 D00319 PA449591 DAP000487 Felodipine CHEMBL1480 4316 DB01023 Felodipine BE0000668 NR3C2 P08235 MCR_HUMAN antagonist 18250364 "Dietz JD, Du S, Bolten CW, Payne MA, Xia C, Blinn JR, Funder JW, Hu X: A number of marketed dihydropyridine calcium channel blockers have mineralocorticoid receptor antagonist activity. Hypertension. 2008 Mar;51(3):742-8. doi: 10.1161/HYPERTENSIONAHA.107.103580. Epub 2008 Feb 4." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong) CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC Felodipine Metabolism Pathway; Felodipine Action Pathway drug_metabolism; drug_action 1249 46506968 D00319 PA449591 DAP000487 Felodipine CHEMBL1480 4316 DB01025 Amlexanox BE0000885 S100A13 Q99584 S10AD_HUMAN antagonist 10051426; 10921913; 11944917; 16519964; 9712836 "Shishibori T, Oyama Y, Matsushita O, Yamashita K, Furuichi H, Okabe A, Maeta H, Hata Y, Kobayashi R: Three distinct anti-allergic drugs, amlexanox, cromolyn and tranilast, bind to S100A12 and S100A13 of the S100 protein family. Biochem J. 1999 Mar 15;338 ( Pt 3):583-9.@@Landriscina M, Prudovsky I, Mouta Carreira C, Soldi R, Tarantini F, Maciag T: Amlexanox reversibly inhibits cell migration and proliferation and induces the Src-dependent disassembly of actin stress fibers in vitro. J Biol Chem. 2000 Oct 20;275(42):32753-62.@@Okada M, Tokumitsu H, Kubota Y, Kobayashi R: Interaction of S100 proteins with the antiallergic drugs, olopatadine, amlexanox, and cromolyn: identification of putative drug binding sites on S100A1 protein. Biochem Biophys Res Commun. 2002 Apr 12;292(4):1023-30.@@Matsunaga H, Ueda H: Evidence for serum-deprivation-induced co-release of FGF-1 and S100A13 from astrocytes. Neurochem Int. 2006 Aug;49(3):294-303. Epub 2006 Mar 7.@@Mouta Carreira C, LaVallee TM, Tarantini F, Jackson A, Lathrop JT, Hampton B, Burgess WH, Maciag T: S100A13 is involved in the regulation of fibroblast growth factor-1 and p40 synaptotagmin-1 release in vitro. J Biol Chem. 1998 Aug 28;273(35):22224-31." Approved; Investigational; Withdrawn "Chromeno[2,3-b]pyridine-5-ones" Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans Anti-Allergic Agents; Amines; Decreased Histamine Release; Drugs for Obstructive Airway Diseases; Stomatological Preparations; Ophthalmic Solutions; Alimentary Tract and Metabolism; Pyridines CC(C)C1=CC2=C(OC3=NC(N)=C(C=C3C2=O)C(O)=O)C=C1 12047 46504508 D01828 PA164745310 DAP000321 Amlexanox CHEMBL1096 46307 DB01025 Amlexanox BE0000689 FGF1 P05230 FGF1_HUMAN inhibitor 16300395 "Rajalingam D, Kumar TK, Soldi R, Graziani I, Prudovsky I, Yu C: Molecular mechanism of inhibition of nonclassical FGF-1 export. Biochemistry. 2005 Nov 29;44(47):15472-9." Approved; Investigational; Withdrawn "Chromeno[2,3-b]pyridine-5-ones" Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans Anti-Allergic Agents; Amines; Decreased Histamine Release; Drugs for Obstructive Airway Diseases; Stomatological Preparations; Ophthalmic Solutions; Alimentary Tract and Metabolism; Pyridines CC(C)C1=CC2=C(OC3=NC(N)=C(C=C3C2=O)C(O)=O)C=C1 12047 46504508 D01828 PA164745310 DAP000321 Amlexanox CHEMBL1096 46307 DB01026 Ketoconazole BE0000132 AR P10275 ANDR_HUMAN binder 1526623 Eil C: Ketoconazole binds to the human androgen receptor. Horm Metab Res. 1992 Aug;24(8):367-70. Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2A6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Imidazole Derivatives; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Piperazines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strong); Dermatologicals; UGT1A1 Inhibitors; Antiinfectives for Systemic Use; Cytochrome P-450 CYP3A5 Inhibitors; Antiadrenal Preparations; Cytochrome P-450 CYP3A7 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Agents causing hyperkalemia; 14-alpha Demethylase Inhibitors; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Antifungals for Dermatological Use; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Imidazole and Triazole Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Hepatotoxic Agents; UGT2B7 Inhibitors; Anticorticosteroids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Steroid Synthesis Inhibitors; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Anti-Infective Agents; Antifungals for Topical Use; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Gynecological Antiinfectives and Antiseptics; Antimycotics for Systemic Use; Cytochrome P-450 CYP2C8 Inhibitors (strong)" CC(=O)N1CCN(CC1)C1=CC=C(OCC2COC(CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 1855 46506746 D00351 PA450146 DAP000630 Ketoconazole CHEMBL157101 6135 DB01028 Methoxyflurane BE0000795 GABRA1 P14867 GBRA1_HUMAN agonist 17139284; 17016423; 2459308; 2845216; 10683198; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Moody EJ, Suzdak PD, Paul SM, Skolnick P: Modulation of the benzodiazepine/gamma-aminobutyric acid receptor chloride channel complex by inhalation anesthetics. J Neurochem. 1988 Nov;51(5):1386-93.@@Moody EJ, Skolnick P: The imidazobenzodiazepine Ro 15-4513 antagonizes methoxyflurane anesthesia. Life Sci. 1988;43(16):1269-76.@@Krasowski MD, Harrison NL: The actions of ether, alcohol and alkane general anaesthetics on GABAA and glycine receptors and the effects of TM2 and TM3 mutations. Br J Pharmacol. 2000 Feb;129(4):731-43.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Vet_approved; Withdrawn Dialkyl ethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Ethers; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethyl Ethers; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Methyl Ethers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Miscellaneous Analgesics and Antipyretics; Nervous System; Anesthetics, Inhalation; Cytochrome P-450 CYP1A2 Substrates" COC(F)(F)C(Cl)Cl 10032 46508879 D00544 PA450434 DAP000682 Methoxyflurane CHEMBL1341 6857 DB01028 Methoxyflurane BE0000640 GRIA1 P42261 GRIA1_HUMAN antagonist 17139284; 17016423; 7702639 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Martin DC, Plagenhoef M, Abraham J, Dennison RL, Aronstam RS: Volatile anesthetics and glutamate activation of N-methyl-D-aspartate receptors. Biochem Pharmacol. 1995 Mar 15;49(6):809-17." Approved; Investigational; Vet_approved; Withdrawn Dialkyl ethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Ethers; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethyl Ethers; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Methyl Ethers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Miscellaneous Analgesics and Antipyretics; Nervous System; Anesthetics, Inhalation; Cytochrome P-450 CYP1A2 Substrates" COC(F)(F)C(Cl)Cl 10032 46508879 D00544 PA450434 DAP000682 Methoxyflurane CHEMBL1341 6857 DB01028 Methoxyflurane BE0000433 GLRA1 P23415 GLRA1_HUMAN agonist 17139284; 17016423; 10683198 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Krasowski MD, Harrison NL: The actions of ether, alcohol and alkane general anaesthetics on GABAA and glycine receptors and the effects of TM2 and TM3 mutations. Br J Pharmacol. 2000 Feb;129(4):731-43." Approved; Investigational; Vet_approved; Withdrawn Dialkyl ethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Ethers; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethyl Ethers; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Methyl Ethers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Miscellaneous Analgesics and Antipyretics; Nervous System; Anesthetics, Inhalation; Cytochrome P-450 CYP1A2 Substrates" COC(F)(F)C(Cl)Cl 10032 46508879 D00544 PA450434 DAP000682 Methoxyflurane CHEMBL1341 6857 DB01028 Methoxyflurane BE0000218 ATP2C1 P98194 AT2C1_HUMAN inhibitor 17139284; 17016423; 7499320 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lopez MM, Kosk-Kosicka D: How do volatile anesthetics inhibit Ca(2+)-ATPases? J Biol Chem. 1995 Nov 24;270(47):28239-45." Approved; Investigational; Vet_approved; Withdrawn Dialkyl ethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Ethers; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethyl Ethers; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Methyl Ethers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Miscellaneous Analgesics and Antipyretics; Nervous System; Anesthetics, Inhalation; Cytochrome P-450 CYP1A2 Substrates" COC(F)(F)C(Cl)Cl 10032 46508879 D00544 PA450434 DAP000682 Methoxyflurane CHEMBL1341 6857 DB01030 Topotecan BE0000971 TOP1 P11387 TOP1_HUMAN inhibitor 11166732; 11443926; 12437383; 12520736; 12855624; 11752352; 9885371; 8853931; 9122737 "Schmidt F, Rieger J, Wischhusen J, Naumann U, Weller M: Glioma cell sensitivity to topotecan: the role of p53 and topotecan-induced DNA damage. Eur J Pharmacol. 2001 Jan 19;412(1):21-5.@@strel'tsov SA, Mikheikin AL, Nechipurenko IuD: [Interaction of topotecan--a DNA topoisomerase I inhibitor--with dual-stranded polydeoxyribonucleotides. II. Formation of a complex containing several DNA molecules in the presence of topotecan]. Mol Biol (Mosk). 2001 May-Jun;35(3):442-50.@@Streltsov SA: Action models for the antitumor drug camptothecin: formation of alkali-labile complex with DNA and inhibition of human DNA topoisomerase I. J Biomol Struct Dyn. 2002 Dec;20(3):447-54.@@Zhang J, Pu SP, Zhou YJ: [Preliminary study of apoptosis of human hepatocarcinoma cell line HepG2 induced by topotecan]. Ai Zheng. 2002 Dec;21(12):1305-9.@@Aisner J, Musanti R, Beers S, Smith S, Locsin S, Rubin EH: Sequencing topotecan and etoposide plus cisplatin to overcome topoisomerase I and II resistance: a pharmacodynamically based Phase I trial. Clin Cancer Res. 2003 Jul;9(7):2504-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kollmannsberger C, Mross K, Jakob A, Kanz L, Bokemeyer C: Topotecan - A novel topoisomerase I inhibitor: pharmacology and clinical experience. Oncology. 1999;56(1):1-12.@@Herben VM, ten Bokkel Huinink WW, Beijnen JH: Clinical pharmacokinetics of topotecan. Clin Pharmacokinet. 1996 Aug;31(2):85-102.@@Dennis MJ, Beijnen JH, Grochow LB, van Warmerdam LJ: An overview of the clinical pharmacology of topotecan. Semin Oncol. 1997 Feb;24(1 Suppl 5):S5-12-S5-18." Approved; Investigational Camptothecins Organic compounds; Alkaloids and derivatives; Camptothecins MATE 1 Substrates; Myelosuppressive Agents; MATE 2 Substrates; Enzyme Inhibitors; Topoisomerase Inhibitors; Topoisomerase I Inhibitors; MATE 1 Inhibitors; MATE 1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Topoisomerase 1 (TOP1) inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; MATE 2 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs; MATE substrates CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(O)=C4CN(C)C)N=C13)C2=O 11431 46505204 D08618 PA451729 DAP000648 Topotecan CHEMBL84 57308 DB01030 Topotecan BE0000091 TOP1MT Q969P6 TOP1M_HUMAN inhibitor 8390858 "Kosovsky MJ, Soslau G: Immunological identification of human platelet mitochondrial DNA topoisomerase I. Biochim Biophys Acta. 1993 Jun 24;1164(1):101-7." Approved; Investigational Camptothecins Organic compounds; Alkaloids and derivatives; Camptothecins MATE 1 Substrates; Myelosuppressive Agents; MATE 2 Substrates; Enzyme Inhibitors; Topoisomerase Inhibitors; Topoisomerase I Inhibitors; MATE 1 Inhibitors; MATE 1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Topoisomerase 1 (TOP1) inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; MATE 2 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs; MATE substrates CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(O)=C4CN(C)C)N=C13)C2=O 11431 46505204 D08618 PA451729 DAP000648 Topotecan CHEMBL84 57308 DB01031 Ethinamate BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 1460006; 11752352 "Parr JS, Khalifah RG: Inhibition of carbonic anhydrases I and II by N-unsubstituted carbamate esters. J Biol Chem. 1992 Dec 15;267(35):25044-50.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Illicit; Withdrawn Ynones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Acids, Acyclic" NC(=O)OC1(CCCCC1)C#C 46507468 D00703 PA164745394 DAP000606 Ethinamate CHEMBL1576 24474 DB01033 Mercaptopurine BE0000077 HPRT1 P00492 HPRT_HUMAN inhibitor 15354273 "Dubinsky MC: Azathioprine, 6-mercaptopurine in inflammatory bowel disease: pharmacology, efficacy, and safety. Clin Gastroenterol Hepatol. 2004 Sep;2(9):731-43." Approved Purinethiones Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Myelosuppressive Agents; Purines; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Antimetabolites; Noxae; Thiopurine Analogs; Immunologic Factors; Drugs for Obstructive Airway Diseases; Antineoplastic Agents; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Xanthine derivatives; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Sulfur Compounds; Narrow Therapeutic Index Drugs; Toxic Actions; Sulfhydryl Compounds; Purine Analogues" S=C1N=CNC2=C1NC=N2 Mercaptopurine Metabolism Pathway; Mercaptopurine Action Pathway; Thioguanine Action Pathway; Azathioprine Action Pathway; Azathioprine Metabolism Pathway drug_metabolism; drug_action 11804 46506988 D04931 PA450379 DAP000147 Mercaptopurine CHEMBL1425 103 DB01033 Mercaptopurine BE0000374 PPAT Q06203 PUR1_HUMAN inhibitor 18506437; 21948594 "Sahasranaman S, Howard D, Roy S: Clinical pharmacology and pharmacogenetics of thiopurines. Eur J Clin Pharmacol. 2008 Aug;64(8):753-67. doi: 10.1007/s00228-008-0478-6. Epub 2008 May 28.@@Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP: ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1100-7. doi: 10.1093/nar/gkr777. Epub 2011 Sep 23." Approved Purinethiones Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Myelosuppressive Agents; Purines; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Antimetabolites; Noxae; Thiopurine Analogs; Immunologic Factors; Drugs for Obstructive Airway Diseases; Antineoplastic Agents; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Xanthine derivatives; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Sulfur Compounds; Narrow Therapeutic Index Drugs; Toxic Actions; Sulfhydryl Compounds; Purine Analogues" S=C1N=CNC2=C1NC=N2 Mercaptopurine Metabolism Pathway; Mercaptopurine Action Pathway; Thioguanine Action Pathway; Azathioprine Action Pathway; Azathioprine Metabolism Pathway drug_metabolism; drug_action 11804 46506988 D04931 PA450379 DAP000147 Mercaptopurine CHEMBL1425 103 DB01034 Cerulenin BE0000959 FASN P49327 FAS_HUMAN inhibitor 10102370; 11245456; 12181752; 11752352; 20373869; 17168665; 15878185 "Oskouian B, Saba JD: YAP1 confers resistance to the fatty acid synthase inhibitor cerulenin through the transporter Flr1p in Saccharomyces cerevisiae. Mol Gen Genet. 1999 Mar;261(2):346-53.@@Li JN, Gorospe M, Chrest FJ, Kumaravel TS, Evans MK, Han WF, Pizer ES: Pharmacological inhibition of fatty acid synthase activity produces both cytostatic and cytotoxic effects modulated by p53. Cancer Res. 2001 Feb 15;61(4):1493-9.@@Heiligtag SJ, Bredehorst R, David KA: Key role of mitochondria in cerulenin-mediated apoptosis. Cell Death Differ. 2002 Sep;9(9):1017-25.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Flavin R, Peluso S, Nguyen PL, Loda M: Fatty acid synthase as a potential therapeutic target in cancer. Future Oncol. 2010 Apr;6(4):551-62. doi: 10.2217/fon.10.11.@@Lupu R, Menendez JA: Pharmacological inhibitors of Fatty Acid Synthase (FASN)--catalyzed endogenous fatty acid biogenesis: a new family of anti-cancer agents? Curr Pharm Biotechnol. 2006 Dec;7(6):483-93.@@Ronnett GV, Kim EK, Landree LE, Tu Y: Fatty acid metabolism as a target for obesity treatment. Physiol Behav. 2005 May 19;85(1):25-35." Experimental Anti-Infective Agents; Antifungal Agents; Amides; Fatty Acid Synthesis Inhibitors; Hypolipidemic Agents; Lipid Regulating Agents [H][C@]1(O[C@]1([H])C(=O)CC\C=C\C\C=C\C)C(N)=O 46508217 PA164764551 DAP000659 Cerulenin CHEMBL45627 DB01035 Procainamide BE0000892 DNMT1 P26358 DNMT1_HUMAN other 15188362; 15795105; 16230360; 2066944 "Oelke K, Lu Q, Richardson D, Wu A, Deng C, Hanash S, Richardson B: Overexpression of CD70 and overstimulation of IgG synthesis by lupus T cells and T cells treated with DNA methylation inhibitors. Arthritis Rheum. 2004 Jun;50(6):1850-60.@@Januchowski R, Jagodzinski PP: Effect of 5-azacytidine and procainamide on CD3-zeta chain expression in Jurkat T cells. Biomed Pharmacother. 2005 Apr;59(3):122-6.@@Lee BH, Yegnasubramanian S, Lin X, Nelson WG: Procainamide is a specific inhibitor of DNA methyltransferase 1. J Biol Chem. 2005 Dec 9;280(49):40749-56. Epub 2005 Oct 17.@@Scheinbart LS, Johnson MA, Gross LA, Edelstein SR, Richardson BC: Procainamide inhibits DNA methyltransferase in a human T cell line. J Rheumatol. 1991 Apr;18(4):530-4." Approved Aminobenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "MATE 1 Substrates; Sodium Channel Blockers; MATE 2 Substrates; Agents that produce neuromuscular block (indirect); OCT2 Inhibitors; QTc Prolonging Agents; Antiarrhythmics, Class Ia; Amides; Benzene Derivatives; MATE 1 Substrates with a Narrow Therapeutic Index; Cardiovascular Agents; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Benzamides and benzamide derivatives; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Negative Inotrope; Membrane Transport Modulators; Aminobenzoates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2D6 Substrates; OCT2 Substrates with a Narrow Therapeutic Index; Acids, Carbocyclic; para-Aminobenzoates; Antiarrhythmic agents; Voltage-Gated Sodium Channel Blockers; MATE 2 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; Cholinesterase Inhibitors; OCT1 inhibitors; Antiarrhythmics, Class I; Narrow Therapeutic Index Drugs; MATE substrates" CCN(CC)CCNC(=O)C1=CC=C(N)C=C1 Procainamide (Antiarrhythmic) Action Pathway drug_action 9702 46507313 PA451108 DAP000516 Procainamide CHEMBL640 8700 DB01036 Tolterodine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 11752352; 14769832; 19168050; 11193006 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Schneider T, Fetscher C, Krege S, Michel MC: Signal transduction underlying carbachol-induced contraction of human urinary bladder. J Pharmacol Exp Ther. 2004 Jun;309(3):1148-53. Epub 2004 Feb 9.@@McNamara A, Pulido-Rios MT, Sweazey S, Obedencio GP, Thibodeaux H, Renner T, Armstrong SR, Steinfeld T, Hughes AD, Wilson RD, Jasper JR, Mammen M, Hegde SS: Pharmacological properties of TD-6301, a novel bladder selective muscarinic receptor antagonist. Eur J Pharmacol. 2009 Mar 1;605(1-3):145-52. doi: 10.1016/j.ejphar.2008.12.043. Epub 2009 Jan 10.@@Sellers DJ, Yamanishi T, Chapple CR, Couldwell C, Yasuda K, Chess-Williams R: M3 muscarinic receptors but not M2 mediate contraction of the porcine detrusor muscle in vitro. J Auton Pharmacol. 2000 Jun;20(3):171-6." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes QTc Prolonging Agents; Amines; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Benzene Derivatives; Cholinergic Agents; Amino Alcohols; Urological Agents; Cytochrome P-450 Substrates; Phenols; Alcohols; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cresols; Urologicals; Propanols; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Genitourinary Smooth Muscle Relaxants; Propanolamines; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Benzhydryl Compounds CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C 20821 46508059 D00646 PA164746757 DAP000376 Tolterodine CHEMBL1382 119565 DB01036 Tolterodine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 16188951; 14769832; 19168050; 11193006 "Nelson CP, Nahorski SR, Challiss RA: Constitutive activity and inverse agonism at the M2 muscarinic acetylcholine receptor. J Pharmacol Exp Ther. 2006 Jan;316(1):279-88. Epub 2005 Sep 27.@@Schneider T, Fetscher C, Krege S, Michel MC: Signal transduction underlying carbachol-induced contraction of human urinary bladder. J Pharmacol Exp Ther. 2004 Jun;309(3):1148-53. Epub 2004 Feb 9.@@McNamara A, Pulido-Rios MT, Sweazey S, Obedencio GP, Thibodeaux H, Renner T, Armstrong SR, Steinfeld T, Hughes AD, Wilson RD, Jasper JR, Mammen M, Hegde SS: Pharmacological properties of TD-6301, a novel bladder selective muscarinic receptor antagonist. Eur J Pharmacol. 2009 Mar 1;605(1-3):145-52. doi: 10.1016/j.ejphar.2008.12.043. Epub 2009 Jan 10.@@Sellers DJ, Yamanishi T, Chapple CR, Couldwell C, Yasuda K, Chess-Williams R: M3 muscarinic receptors but not M2 mediate contraction of the porcine detrusor muscle in vitro. J Auton Pharmacol. 2000 Jun;20(3):171-6." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes QTc Prolonging Agents; Amines; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Benzene Derivatives; Cholinergic Agents; Amino Alcohols; Urological Agents; Cytochrome P-450 Substrates; Phenols; Alcohols; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cresols; Urologicals; Propanols; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Genitourinary Smooth Muscle Relaxants; Propanolamines; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Benzhydryl Compounds CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C 20821 46508059 D00646 PA164746757 DAP000376 Tolterodine CHEMBL1382 119565 DB01036 Tolterodine BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 16406943 "Maruyama S, Oki T, Otsuka A, Shinbo H, Ozono S, Kageyama S, Mikami Y, Araki I, Takeda M, Masuyama K, Yamada S: Human muscarinic receptor binding characteristics of antimuscarinic agents to treat overactive bladder. J Urol. 2006 Jan;175(1):365-9." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes QTc Prolonging Agents; Amines; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Benzene Derivatives; Cholinergic Agents; Amino Alcohols; Urological Agents; Cytochrome P-450 Substrates; Phenols; Alcohols; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cresols; Urologicals; Propanols; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Genitourinary Smooth Muscle Relaxants; Propanolamines; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Benzhydryl Compounds CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C 20821 46508059 D00646 PA164746757 DAP000376 Tolterodine CHEMBL1382 119565 DB01039 Fenofibrate BE0000071 PPARA Q07869 PPARA_HUMAN agonist 10494028; 10799317; 11018525; 11342537; 11474486; 11752352; 10828060 "Clavey V, Copin C, Mariotte MC, Bauge E, Chinetti G, Fruchart J, Fruchart JC, Dallongeville J, Staels B: Cell culture conditions determine apolipoprotein CIII secretion and regulation by fibrates in human hepatoma HepG2 cells. Cell Physiol Biochem. 1999;9(3):139-49.@@Chaput E, Saladin R, Silvestre M, Edgar AD: Fenofibrate and rosiglitazone lower serum triglycerides with opposing effects on body weight. Biochem Biophys Res Commun. 2000 May 10;271(2):445-50.@@Casas F, Pineau T, Rochard P, Rodier A, Daury L, Dauca M, Cabello G, Wrutniak-Cabello C: New molecular aspects of regulation of mitochondrial activity by fenofibrate and fasting. FEBS Lett. 2000 Sep 29;482(1-2):71-4.@@Bouly M, Masson D, Gross B, Jiang XC, Fievet C, Castro G, Tall AR, Fruchart JC, Staels B, Lagrost L, Luc G: Induction of the phospholipid transfer protein gene accounts for the high density lipoprotein enlargement in mice treated with fenofibrate. J Biol Chem. 2001 Jul 13;276(28):25841-7. Epub 2001 May 7.@@Dana SL, Hoener PA, Bilakovics JM, Crombie DL, Ogilvie KM, Kauffman RF, Mukherjee R, Paterniti JR Jr: Peroxisome proliferator-activated receptor subtype-specific regulation of hepatic and peripheral gene expression in the Zucker diabetic fatty rat. Metabolism. 2001 Aug;50(8):963-71.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Guerre-Millo M, Gervois P, Raspe E, Madsen L, Poulain P, Derudas B, Herbert JM, Winegar DA, Willson TM, Fruchart JC, Berge RK, Staels B: Peroxisome proliferator-activated receptor alpha activators improve insulin sensitivity and reduce adiposity. J Biol Chem. 2000 Jun 2;275(22):16638-42." Approved Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones "Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Benzene Derivatives; Lipid Modifying Agents; Noxae; Peroxisome Proliferator-activated Receptor alpha Agonists; Butyrates; Benzophenones; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Peroxisome Proliferator Receptor alpha Agonist; Phenols; Cytochrome P-450 CYP2C8 Inhibitors (weak); Fatty Acids; Drugs that are Mainly Renally Excreted; Isobutyrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Lipid Regulating Agents; Fatty Acids, Volatile; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Ketones; Lipid Modifying Agents, Plain; Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (weak); UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Toxic Actions; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 1381 46507371 D00565 PA449594 DAP000270 Fenofibrate CHEMBL672 8703 DB01039 Fenofibrate BE0009742 MMP25 Q9NPA2 MMP25_HUMAN inhibitor 17353509; 17606858 "Duhaney TA, Cui L, Rude MK, Lebrasseur NK, Ngoy S, De Silva DS, Siwik DA, Liao R, Sam F: Peroxisome proliferator-activated receptor alpha-independent actions of fenofibrate exacerbates left ventricular dilation and fibrosis in chronic pressure overload. Hypertension. 2007 May;49(5):1084-94. Epub 2007 Mar 12.@@Lebrasseur NK, Duhaney TA, De Silva DS, Cui L, Ip PC, Joseph L, Sam F: Effects of fenofibrate on cardiac remodeling in aldosterone-induced hypertension. Hypertension. 2007 Sep;50(3):489-96. Epub 2007 Jul 2." Approved Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones "Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Benzene Derivatives; Lipid Modifying Agents; Noxae; Peroxisome Proliferator-activated Receptor alpha Agonists; Butyrates; Benzophenones; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Peroxisome Proliferator Receptor alpha Agonist; Phenols; Cytochrome P-450 CYP2C8 Inhibitors (weak); Fatty Acids; Drugs that are Mainly Renally Excreted; Isobutyrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Lipid Regulating Agents; Fatty Acids, Volatile; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Ketones; Lipid Modifying Agents, Plain; Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (weak); UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Toxic Actions; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 1381 46507371 D00565 PA449594 DAP000270 Fenofibrate CHEMBL672 8703 DB01041 Thalidomide BE0004755 CRBN Q96SW2 CRBN_HUMAN inhibitor 22966948 "Zhu YX, Kortuem KM, Stewart AK: Molecular mechanism of action of immune-modulatory drugs thalidomide, lenalidomide and pomalidomide in multiple myeloma. Leuk Lymphoma. 2013 Apr;54(4):683-7. doi: 10.3109/10428194.2012.728597. Epub 2012 Sep 28." Approved; Investigational; Withdrawn Phthalimides Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindolines "Immunomodulatory Agents; Myelosuppressive Agents; Growth Substances; Angiogenesis Inhibitors; Cytochrome P-450 CYP3A Substrates; Noxae; Tumor Necrosis Factor Blockers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cardiotoxic antineoplastic agents; Angiogenesis Modulating Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Immunologic Factors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Phthalimides; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Growth Inhibitors; Leprostatic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A5 Inducers; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Isoindoles; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Teratogens; Toxic Actions; Cytochrome P-450 CYP3A5 Inducers (strength unknown)" O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12 6036 46505665 D00754 PA451644 DAP000865 Thalidomide CHEMBL468 10432 DB01043 Memantine BE0000365 GRIN1 Q05586 NMDZ1_HUMAN binder 19687120 "Kotermanski SE, Wood JT, Johnson JW: Memantine binding to a superficial site on NMDA receptors contributes to partial trapping. J Physiol. 2009 Oct 1;587(Pt 19):4589-604. doi: 10.1113/jphysiol.2009.176297. Epub 2009 Aug 17." Approved; Investigational Monoalkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines Cytochrome P-450 CYP2B6 Inhibitors; N-methyl-D-aspartate Receptor Antagonist; Anti-Dementia Drugs; OCT2 Substrates; Cytochrome P-450 CYP2B6 Inhibitors (strong); Cytochrome P-450 Enzyme Inhibitors; Excitatory Amino Acid Antagonists; Psychoanaleptics; Bridged-Ring Compounds; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 Inhibitors (weak); NMDA Receptor Antagonists; Cytochrome P-450 CYP2A6 Inhibitors; Anti-Parkinson Drugs; Anti-Dyskinesia Agents; Cytochrome P-450 CYP2A6 Inhibitors (weak); Central Nervous System Agents; Cholinesterase Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Nervous System; Dopamine Agents; Miscellaneous Central Nervous System Agents CC12CC3CC(C)(C1)CC(N)(C3)C2 13366 46506702 D08174 PA10364 DAP000493 Memantine CHEMBL807 6719 DB01047 Fluocinonide BE0000794 NR3C1 P04150 GCR_HUMAN agonist 11279785 "Jessop S, Whitelaw D, Jordaan F: Drugs for discoid lupus erythematosus. Cochrane Database Syst Rev. 2001;(1):CD002954." Approved; Investigational "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Allergic Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(C)=O 7579 46504523 D00325 PA449664 DAP000421 Fluocinonide CHEMBL1501 4462 DB01047 Fluocinonide BE0004659 SMO Q99835 SMO_HUMAN agonist 20439738 "Wang J, Lu J, Bond MC, Chen M, Ren XR, Lyerly HK, Barak LS, Chen W: Identification of select glucocorticoids as Smoothened agonists: potential utility for regenerative medicine. Proc Natl Acad Sci U S A. 2010 May 18;107(20):9323-8. doi: 10.1073/pnas.0910712107. Epub 2010 May 3." Approved; Investigational "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Allergic Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(C)=O 7579 46504523 D00325 PA449664 DAP000421 Fluocinonide CHEMBL1501 4462 DB01048 Abacavir BE0009142 HLA-B P01889 1B27_HUMAN 19629158 "Yang L, Chen J, He L: Harvesting candidate genes responsible for serious adverse drug reactions from a chemical-protein interactome. PLoS Comput Biol. 2009 Jul;5(7):e1000441. doi: 10.1371/journal.pcbi.1000441. Epub 2009 Jul 24." Approved; Investigational "1,3-substituted cyclopentyl purine nucleosides" "Organic compounds; Nucleosides, nucleotides, and analogues; Nucleoside and nucleotide analogues; Cyclopentyl nucleosides" "Antiviral Agents; Purines; Enzyme Inhibitors; Nucleosides; Reverse Transcriptase Inhibitors; Nucleoside Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Cycloparaffins; Drugs that are Mainly Renally Excreted; Dideoxynucleosides; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Nucleoside and Nucleotide Reverse Transcriptase Inhibitors; Nucleic Acid Synthesis Inhibitors; Deoxyribonucleosides; Antivirals for Systemic Use; Antivirals used in combination for the treatment of HIV infections; Anti-HIV Agents; Direct Acting Antivirals; Deoxyadenosines; Nucleic Acids, Nucleotides, and Nucleosides; Anti-Retroviral Agents; Anti-Infective Agents; UGT1A1 Substrates; Human Immunodeficiency Virus Nucleoside Analog Reverse Transcriptase Inhibitor" NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N1 Abacavir Action Pathway drug_action 11893 46505718 D07057 PA448004 DAP000704 Abacavir CHEMBL1380 190521 DB01049 Ergoloid mesylate BE0004872 ADRB1 P13945 ADRB3_HUMAN antagonist Approved "Peripheral Vasodilators; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Dihydroergotoxine; Ergot Alkaloids and Derivatives; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Vasodilating Agents; Agents that produce hypertension; Ergot-derivative Dopamine Receptor Agonists; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Nootropic Agents; Serotonin Agents; Central Nervous System Agents; Neurotransmitter Agents; Sympatholytic (Adrenergic Blocking) Agents; Adrenergic Agents; Dopamine Agents" 1411 46505963 D02268 PA164752439 DAP000901 Ergoloid 4024 DB01049 Ergoloid mesylate BE0004862 HTR1A P34969 5HT7R_HUMAN antagonist Approved "Peripheral Vasodilators; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Dihydroergotoxine; Ergot Alkaloids and Derivatives; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Vasodilating Agents; Agents that produce hypertension; Ergot-derivative Dopamine Receptor Agonists; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Nootropic Agents; Serotonin Agents; Central Nervous System Agents; Neurotransmitter Agents; Sympatholytic (Adrenergic Blocking) Agents; Adrenergic Agents; Dopamine Agents" 1411 46505963 D02268 PA164752439 DAP000901 Ergoloid 4024 DB01050 Ibuprofen BE0000246 BCL2 P10415 BCL2_HUMAN modulator 22668799 "Palayoor ST, J-Aryankalayil M, Makinde AY, Cerna D, Falduto MT, Magnuson SR, Coleman CN: Gene expression profile of coronary artery cells treated with nonsteroidal anti-inflammatory drugs reveals off-target effects. J Cardiovasc Pharmacol. 2012 Jun;59(6):487-99. doi: 10.1097/FJC.0b013e31824ba6b5." Approved Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids "Non COX-2 selective NSAIDS; Sensory System Agents; UGT2B7 substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Agents causing angioedema; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; UGT2B17 Inhibitors; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Experimental Unapproved Treatments for COVID-19; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Phenylpropionates; Throat Preparations; Acids, Carbocyclic; UGT1A3 substrates; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OATP2B1/SLCO2B1 substrates; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Propionates; UDP Glucuronosyltransferases Inhibitors; Cyclooxygenase Inhibitors; COX-1 Inhibitors; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Antiinflammatory Products for Vaginal Administration; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Nervous System; Antirheumatic Agents" CC(C)CC1=CC=C(C=C1)C(C)C(O)=O Ibuprofen Action Pathway; Ibuprofen Metabolism Pathway drug_metabolism; drug_action 2609 46507255 D00126 PA449957 DAP000780 Ibuprofen CHEMBL521 5640 DB01050 Ibuprofen BE0000215 PPARG P37231 PPARG_HUMAN activator 20089905 "Dill J, Patel AR, Yang XL, Bachoo R, Powell CM, Li S: A molecular mechanism for ibuprofen-mediated RhoA inhibition in neurons. J Neurosci. 2010 Jan 20;30(3):963-72. doi: 10.1523/JNEUROSCI.5045-09.2010." Approved Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids "Non COX-2 selective NSAIDS; Sensory System Agents; UGT2B7 substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Agents causing angioedema; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; UGT2B17 Inhibitors; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Experimental Unapproved Treatments for COVID-19; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Phenylpropionates; Throat Preparations; Acids, Carbocyclic; UGT1A3 substrates; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OATP2B1/SLCO2B1 substrates; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Propionates; UDP Glucuronosyltransferases Inhibitors; Cyclooxygenase Inhibitors; COX-1 Inhibitors; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Antiinflammatory Products for Vaginal Administration; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Nervous System; Antirheumatic Agents" CC(C)CC1=CC=C(C=C1)C(C)C(O)=O Ibuprofen Action Pathway; Ibuprofen Metabolism Pathway drug_metabolism; drug_action 2609 46507255 D00126 PA449957 DAP000780 Ibuprofen CHEMBL521 5640 DB01050 Ibuprofen BE0001195 CFTR P13569 CFTR_HUMAN inhibitor 9710435 "Devor DC, Schultz BD: Ibuprofen inhibits cystic fibrosis transmembrane conductance regulator-mediated Cl- secretion. J Clin Invest. 1998 Aug 15;102(4):679-87." Approved Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids "Non COX-2 selective NSAIDS; Sensory System Agents; UGT2B7 substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Agents causing angioedema; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; UGT2B17 Inhibitors; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Experimental Unapproved Treatments for COVID-19; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Phenylpropionates; Throat Preparations; Acids, Carbocyclic; UGT1A3 substrates; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OATP2B1/SLCO2B1 substrates; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Propionates; UDP Glucuronosyltransferases Inhibitors; Cyclooxygenase Inhibitors; COX-1 Inhibitors; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Antiinflammatory Products for Vaginal Administration; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Nervous System; Antirheumatic Agents" CC(C)CC1=CC=C(C=C1)C(C)C(O)=O Ibuprofen Action Pathway; Ibuprofen Metabolism Pathway drug_metabolism; drug_action 2609 46507255 D00126 PA449957 DAP000780 Ibuprofen CHEMBL521 5640 DB01050 Ibuprofen BE0000071 PPARA Q07869 PPARA_HUMAN activator 9013583 "Lehmann JM, Lenhard JM, Oliver BB, Ringold GM, Kliewer SA: Peroxisome proliferator-activated receptors alpha and gamma are activated by indomethacin and other non-steroidal anti-inflammatory drugs. J Biol Chem. 1997 Feb 7;272(6):3406-10." Approved Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids "Non COX-2 selective NSAIDS; Sensory System Agents; UGT2B7 substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Agents causing angioedema; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; UGT2B17 Inhibitors; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Experimental Unapproved Treatments for COVID-19; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Phenylpropionates; Throat Preparations; Acids, Carbocyclic; UGT1A3 substrates; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OATP2B1/SLCO2B1 substrates; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Propionates; UDP Glucuronosyltransferases Inhibitors; Cyclooxygenase Inhibitors; COX-1 Inhibitors; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Antiinflammatory Products for Vaginal Administration; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Nervous System; Antirheumatic Agents" CC(C)CC1=CC=C(C=C1)C(C)C(O)=O Ibuprofen Action Pathway; Ibuprofen Metabolism Pathway drug_metabolism; drug_action 2609 46507255 D00126 PA449957 DAP000780 Ibuprofen CHEMBL521 5640 DB01053 Benzylpenicillin BE0001018 SLC15A1 P46059 S15A1_HUMAN substrate 15567297 "Luckner P, Brandsch M: Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1. Eur J Pharm Biopharm. 2005 Jan;59(1):17-24." Approved; Vet_approved Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "beta-Lactams; OAT3/SLC22A8 Substrates; Anti-Bacterial Agents; OATP1B1/SLCO1B1 Substrates; Amides; OAT1/SLC22A6 inhibitors; Natural Penicillins; Antiinfectives for Systemic Use; Beta-Lactamase Sensitive Penicillins; Heterocyclic Compounds, Fused-Ring; OATP2B1/SLCO2B1 substrates; Antibacterials for Systemic Use; Beta-Lactam Antibacterials; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Lactams; Ophthalmologicals; Sulfur Compounds; Penicillins; Penicillin G; Sensory Organs" [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O 11521 46506778 D02336 PA450842 DNC001109 Benzylpenicillin CHEMBL29 7980 DB01053 Benzylpenicillin BE0001134 SLC15A2 Q16348 S15A2_HUMAN inhibitor 21741846 "Pedretti A, De Luca L, Marconi C, Regazzoni L, Aldini G, Vistoli G: Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping. Bioorg Med Chem. 2011 Aug 1;19(15):4544-51. doi: 10.1016/j.bmc.2011.06.027. Epub 2011 Jun 16." Approved; Vet_approved Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "beta-Lactams; OAT3/SLC22A8 Substrates; Anti-Bacterial Agents; OATP1B1/SLCO1B1 Substrates; Amides; OAT1/SLC22A6 inhibitors; Natural Penicillins; Antiinfectives for Systemic Use; Beta-Lactamase Sensitive Penicillins; Heterocyclic Compounds, Fused-Ring; OATP2B1/SLCO2B1 substrates; Antibacterials for Systemic Use; Beta-Lactam Antibacterials; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Lactams; Ophthalmologicals; Sulfur Compounds; Penicillins; Penicillin G; Sensory Organs" [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O 11521 46506778 D02336 PA450842 DNC001109 Benzylpenicillin CHEMBL29 7980 DB01054 Nitrendipine BE0000430 CACNA1C Q13936 CAC1C_HUMAN inhibitor 11752352; 1846597 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Regulla S, Schneider T, Nastainczyk W, Meyer HE, Hofmann F: Identification of the site of interaction of the dihydropyridine channel blockers nitrendipine and azidopine with the calcium-channel alpha 1 subunit. EMBO J. 1991 Jan;10(1):45-9." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC Nitrendipine Action Pathway drug_action 46508817 D00629 PA146096020 DAP001263 Nitrendipine CHEMBL475534 7441 DB01054 Nitrendipine BE0000691 CACNA2D1 P54289 CA2D1_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC Nitrendipine Action Pathway drug_action 46508817 D00629 PA146096020 DAP001263 Nitrendipine CHEMBL475534 7441 DB01054 Nitrendipine BE0002354 CACNB2 Q08289 CACB2_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC Nitrendipine Action Pathway drug_action 46508817 D00629 PA146096020 DAP001263 Nitrendipine CHEMBL475534 7441 DB01054 Nitrendipine BE0002359 CACNA1D Q01668 CAC1D_HUMAN inhibitor 19029287; 1846597 "Sinnegger-Brauns MJ, Huber IG, Koschak A, Wild C, Obermair GJ, Einzinger U, Hoda JC, Sartori SB, Striessnig J: Expression and 1,4-dihydropyridine-binding properties of brain L-type calcium channel isoforms. Mol Pharmacol. 2009 Feb;75(2):407-14. doi: 10.1124/mol.108.049981. Epub 2008 Nov 24.@@Regulla S, Schneider T, Nastainczyk W, Meyer HE, Hofmann F: Identification of the site of interaction of the dihydropyridine channel blockers nitrendipine and azidopine with the calcium-channel alpha 1 subunit. EMBO J. 1991 Jan;10(1):45-9." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC Nitrendipine Action Pathway drug_action 46508817 D00629 PA146096020 DAP001263 Nitrendipine CHEMBL475534 7441 DB01054 Nitrendipine BE0002355 CACNA1S Q13698 CAC1S_HUMAN inhibitor 16675661; 1846597 "Peterson BZ, Catterall WA: Allosteric interactions required for high-affinity binding of dihydropyridine antagonists to Ca(V)1.1 Channels are modulated by calcium in the pore. Mol Pharmacol. 2006 Aug;70(2):667-75. Epub 2006 May 4.@@Regulla S, Schneider T, Nastainczyk W, Meyer HE, Hofmann F: Identification of the site of interaction of the dihydropyridine channel blockers nitrendipine and azidopine with the calcium-channel alpha 1 subunit. EMBO J. 1991 Jan;10(1):45-9." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC Nitrendipine Action Pathway drug_action 46508817 D00629 PA146096020 DAP001263 Nitrendipine CHEMBL475534 7441 DB01054 Nitrendipine BE0000864 CACNA1H O95180 CAC1H_HUMAN inhibitor 18974361; 1846597 "Perez-Reyes E, Van Deusen AL, Vitko I: Molecular pharmacology of human Cav3.2 T-type Ca2+ channels: block by antihypertensives, antiarrhythmics, and their analogs. J Pharmacol Exp Ther. 2009 Feb;328(2):621-7. doi: 10.1124/jpet.108.145672. Epub 2008 Oct 30.@@Regulla S, Schneider T, Nastainczyk W, Meyer HE, Hofmann F: Identification of the site of interaction of the dihydropyridine channel blockers nitrendipine and azidopine with the calcium-channel alpha 1 subunit. EMBO J. 1991 Jan;10(1):45-9." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC Nitrendipine Action Pathway drug_action 46508817 D00629 PA146096020 DAP001263 Nitrendipine CHEMBL475534 7441 DB01054 Nitrendipine BE0008715 CACNA1C O00555 CAC1A_HUMAN inhibitor 11119684; 32766273 "Mize RR, Lo F: Nitric oxide, impulse activity, and neurotrophins in visual system development(1). Brain Res. 2000 Dec 15;886(1-2):15-32. doi: 10.1016/s0006-8993(00)02750-5.@@Goswami C, Dezaki K, Wang L, Inui A, Seino Y, Yada T: Ninjin'yoeito Targets Distinct Ca(2+) Channels to Activate Ghrelin-Responsive vs. Unresponsive NPY Neurons in the Arcuate Nucleus. Front Nutr. 2020 Jul 17;7:104. doi: 10.3389/fnut.2020.00104. eCollection 2020." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC Nitrendipine Action Pathway drug_action 46508817 D00629 PA146096020 DAP001263 Nitrendipine CHEMBL475534 7441 DB01054 Nitrendipine BE0004906 KCNMA1 Q9UGI6 KCNN3_HUMAN inhibitor 1733781 "Ellory JC, Kirk K, Culliford SJ, Nash GB, Stuart J: Nitrendipine is a potent inhibitor of the Ca(2+)-activated K+ channel of human erythrocytes. FEBS Lett. 1992 Jan 20;296(2):219-21. doi: 10.1016/0014-5793(92)80383-r." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC Nitrendipine Action Pathway drug_action 46508817 D00629 PA146096020 DAP001263 Nitrendipine CHEMBL475534 7441 DB01055 Mimosine BE0000331 SHMT1 P34896 GLYC_HUMAN inhibitor 10766749; 11936838; 15531579; 8576220 "Oppenheim EW, Nasrallah IM, Mastri MG, Stover PJ: Mimosine is a cell-specific antagonist of folate metabolism. J Biol Chem. 2000 Jun 23;275(25):19268-74.@@Conti P, Frydas S, Reale M, Barbacane RC, Di Gioacchino M, Felaco M, Trakatellis A: Inhibition of MCP-1 and MIP-2 transcription and translation by mimosine in muscle tissue infected with the parasite Trichinella spiralis. Mol Cell Biochem. 2002 Jan;229(1-2):129-37.@@Perry C, Sastry R, Nasrallah IM, Stover PJ: Mimosine attenuates serine hydroxymethyltransferase transcription by chelating zinc. Implications for inhibition of DNA replication. J Biol Chem. 2005 Jan 7;280(1):396-400. Epub 2004 Nov 4.@@Lin HB, Falchetto R, Mosca PJ, Shabanowitz J, Hunt DF, Hamlin JL: Mimosine targets serine hydroxymethyltransferase. J Biol Chem. 1996 Feb 2;271(5):2548-56." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Pyridones; Alanine; Amino Acids, Peptides, and Proteins; Pyridines" N[C@@H](CN1C=CC(=O)C(O)=C1)C(O)=O 46505895 PA164752445 DNC000947 Mimosine CHEMBL245416 DB01057 Echothiophate BE0002180 BCHE P06276 CHLE_HUMAN inhibitor 2481033; 11752352 "Henderson EG, Post-Munson DJ, Reynolds LS, Epstein PM: Echothiophate and cogeners decrease the voltage dependence of end-plate current decay in frog skeletal muscle. J Pharmacol Exp Ther. 1989 Dec;251(3):810-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Tetraalkylammonium salts Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts Organophosphates; QTc Prolonging Agents; Enzyme Inhibitors; Organophosphorus Compounds; Organothiophosphates; Miotics; Cholinergic Agents; Autonomic Agents; Antiglaucoma Preparations and Miotics; Parasympathomimetics; Potential QTc-Prolonging Agents; Organothiophosphorus Compounds; Peripheral Nervous System Agents; Ophthalmologicals; Cholinesterase Inhibitors; Neurotransmitter Agents; Sulfur Compounds; Sensory Organs CCOP(=O)(OCC)SCC[N+](C)(C)C 9719 46505944 D02193 PA164743139 DAP000962 Echothiophate CHEMBL1201341 89778 DB01059 Norfloxacin BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Quinoline carboxylic acids Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids "Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Topoisomerase Inhibitors; Anti-Bacterial Agents; Quinolones; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; Quinolone Antimicrobial; Cytochrome P-450 Enzyme Inhibitors; Sensory Organs; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Agents Causing Muscle Toxicity; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antibacterials for Systemic Use; Cytochrome P-450 CYP3A7 Inhibitors; Anti-Infective Agents; Topoisomerase II Inhibitors; Fluoroquinolones; Ophthalmologicals; Quinolines; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCNCC1 1838 46508634 D00210 PA450654 DAP000654 Norfloxacin CHEMBL9 7517 DB01059 Norfloxacin BE0004951 TOP2A Q02880 TOP2B_HUMAN inhibitor 9917336 "Alkorta I, Park C, Kong J, Garbisu C, Alberti M, Pon N, Hearst JE: Rhodobacter capsulatus DNA topoisomerase I purification and characterization. Arch Biochem Biophys. 1999 Feb 1;362(1):123-30. doi: 10.1006/abbi.1998.1023." Approved Quinoline carboxylic acids Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids "Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Topoisomerase Inhibitors; Anti-Bacterial Agents; Quinolones; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; Quinolone Antimicrobial; Cytochrome P-450 Enzyme Inhibitors; Sensory Organs; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Agents Causing Muscle Toxicity; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antibacterials for Systemic Use; Cytochrome P-450 CYP3A7 Inhibitors; Anti-Infective Agents; Topoisomerase II Inhibitors; Fluoroquinolones; Ophthalmologicals; Quinolines; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCNCC1 1838 46508634 D00210 PA450654 DAP000654 Norfloxacin CHEMBL9 7517 DB01062 Oxybutynin BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 19275276; 19446545; 20590605; 17222678; 16406943; 7620236 "Baldwin CM, Keating GM: Transdermal oxybutynin. Drugs. 2009;69(3):327-37. doi: 10.2165/00003495-200969030-00008.@@Ito Y, Oyunzul L, Yoshida A, Fujino T, Noguchi Y, Yuyama H, Ohtake A, Suzuki M, Sasamata M, Matsui M, Yamada S: Comparison of muscarinic receptor selectivity of solifenacin and oxybutynin in the bladder and submandibular gland of muscarinic receptor knockout mice. Eur J Pharmacol. 2009 Aug 1;615(1-3):201-6. doi: 10.1016/j.ejphar.2009.04.068. Epub 2009 May 13.@@Sinha S, Gupta S, Malhotra S, Krishna NS, Meru AV, Babu V, Bansal V, Garg M, Kumar N, Chugh A, Ray A: AE9C90CB: a novel, bladder-selective muscarinic receptor antagonist for the treatment of overactive bladder. Br J Pharmacol. 2010 Jul;160(5):1119-27. doi: 10.1111/j.1476-5381.2010.00752.x.@@Oki T, Kageyama A, Takagi Y, Uchida S, Yamada S: Comparative evaluation of central muscarinic receptor binding activity by oxybutynin, tolterodine and darifenacin used to treat overactive bladder. J Urol. 2007 Feb;177(2):766-70.@@Maruyama S, Oki T, Otsuka A, Shinbo H, Ozono S, Kageyama S, Mikami Y, Araki I, Takeda M, Masuyama K, Yamada S: Human muscarinic receptor binding characteristics of antimuscarinic agents to treat overactive bladder. J Urol. 2006 Jan;175(1):365-9.@@Yarker YE, Goa KL, Fitton A: Oxybutynin. A review of its pharmacodynamic and pharmacokinetic properties, and its therapeutic use in detrusor instability. Drugs Aging. 1995 Mar;6(3):243-62. doi: 10.2165/00002512-199506030-00007." Approved; Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Autonomic Agents; Cytochrome P-450 CYP2C8 Inhibitors; Urological Agents; Cytochrome P-450 Substrates; Hydroxy Acids; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Acids, Carbocyclic; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Parasympatholytics; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Neurotransmitter Agents" CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1 13333 46508005 D00465 PA164746030 DAP001128 Oxybutynin CHEMBL1231 32675 DB01062 Oxybutynin BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 15963006; 16188951; 19446545; 20590605; 17222678; 7620236 "Dmochowski R: Improving the tolerability of anticholinergic agents in the treatment of overactive bladder. Drug Saf. 2005;28(7):583-600.@@Nelson CP, Nahorski SR, Challiss RA: Constitutive activity and inverse agonism at the M2 muscarinic acetylcholine receptor. J Pharmacol Exp Ther. 2006 Jan;316(1):279-88. Epub 2005 Sep 27.@@Ito Y, Oyunzul L, Yoshida A, Fujino T, Noguchi Y, Yuyama H, Ohtake A, Suzuki M, Sasamata M, Matsui M, Yamada S: Comparison of muscarinic receptor selectivity of solifenacin and oxybutynin in the bladder and submandibular gland of muscarinic receptor knockout mice. Eur J Pharmacol. 2009 Aug 1;615(1-3):201-6. doi: 10.1016/j.ejphar.2009.04.068. Epub 2009 May 13.@@Sinha S, Gupta S, Malhotra S, Krishna NS, Meru AV, Babu V, Bansal V, Garg M, Kumar N, Chugh A, Ray A: AE9C90CB: a novel, bladder-selective muscarinic receptor antagonist for the treatment of overactive bladder. Br J Pharmacol. 2010 Jul;160(5):1119-27. doi: 10.1111/j.1476-5381.2010.00752.x.@@Oki T, Kageyama A, Takagi Y, Uchida S, Yamada S: Comparative evaluation of central muscarinic receptor binding activity by oxybutynin, tolterodine and darifenacin used to treat overactive bladder. J Urol. 2007 Feb;177(2):766-70.@@Yarker YE, Goa KL, Fitton A: Oxybutynin. A review of its pharmacodynamic and pharmacokinetic properties, and its therapeutic use in detrusor instability. Drugs Aging. 1995 Mar;6(3):243-62. doi: 10.2165/00002512-199506030-00007." Approved; Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Autonomic Agents; Cytochrome P-450 CYP2C8 Inhibitors; Urological Agents; Cytochrome P-450 Substrates; Hydroxy Acids; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Acids, Carbocyclic; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Parasympatholytics; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Neurotransmitter Agents" CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1 13333 46508005 D00465 PA164746030 DAP001128 Oxybutynin CHEMBL1231 32675 DB01063 Acetophenazine BE0000132 AR P10275 ANDR_HUMAN 17606915 "Bisson WH, Cheltsov AV, Bruey-Sedano N, Lin B, Chen J, Goldberger N, May LT, Christopoulos A, Dalton JT, Sexton PM, Zhang XK, Abagyan R: Discovery of antiandrogen activity of nonsteroidal scaffolds of marketed drugs. Proc Natl Acad Sci U S A. 2007 Jul 17;104(29):11927-32. Epub 2007 Jul 2." Approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Antipsychotic Agents; Phenothiazines; Heterocyclic Compounds, Fused-Ring; Central Nervous System Depressants; Nervous System; Phenothiazines With Piperazine Structure; Sulfur Compounds; Dopamine Antagonists; Psycholeptics; Neurotoxic agents; Dopamine D2 Receptor Antagonists" CC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1 46507036 PA164781360 DAP000844 Acetophenazine CHEMBL1085 16735 DB01064 Isoprenaline BE0001012 ADRB3 P13945 ADRB3_HUMAN agonist 10722; 10824635 "Ahlquist RP: Present state of alpha- and beta-adrenergic drugs I. The adrenergic receptor. Am Heart J. 1976 Nov;92(5):661-4.@@Schiffelers SL, Blaak EE, Saris WH, van Baak MA: In vivo beta3-adrenergic stimulation of human thermogenesis and lipid use. Clin Pharmacol Ther. 2000 May;67(5):558-66." Approved; Investigational Catechols Organic compounds; Benzenoids; Phenols; Benzenediols "Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; Amines; Adrenergics for Systemic Use; Anti-Asthmatic Agents; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Non-selective Beta-adrenergic Agonists; Phenols; Alcohols; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Cardiotonic Agents; Adrenergic Agonists; Adrenergics, Inhalants; Sympathomimetics; Agents that produce hypertension; COMT Substrates; Respiratory System Agents; Peripheral Nervous System Agents; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Cholinesterase Inhibitors; Adrenergic beta-2 Receptor Agonists; Neurotransmitter Agents; Ethanolamines; Adrenergic Agents" CC(C)NCC(O)C1=CC(O)=C(O)C=C1 Isoprenaline Action Pathway drug_action 10114 46507323 PA450121 DNC000819 Isoprenaline CHEMBL434 6054 DB01064 Isoprenaline BE0002390 SOD1 P00441 SODC_HUMAN stabilization 23612299 "Wright GS, Antonyuk SV, Kershaw NM, Strange RW, Samar Hasnain S: Ligand binding and aggregation of pathogenic SOD1. Nat Commun. 2013;4:1758. doi: 10.1038/ncomms2750." Approved; Investigational Catechols Organic compounds; Benzenoids; Phenols; Benzenediols "Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; Amines; Adrenergics for Systemic Use; Anti-Asthmatic Agents; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Non-selective Beta-adrenergic Agonists; Phenols; Alcohols; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Cardiotonic Agents; Adrenergic Agonists; Adrenergics, Inhalants; Sympathomimetics; Agents that produce hypertension; COMT Substrates; Respiratory System Agents; Peripheral Nervous System Agents; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Cholinesterase Inhibitors; Adrenergic beta-2 Receptor Agonists; Neurotransmitter Agents; Ethanolamines; Adrenergic Agents" CC(C)NCC(O)C1=CC(O)=C(O)C=C1 Isoprenaline Action Pathway drug_action 10114 46507323 PA450121 DNC000819 Isoprenaline CHEMBL434 6054 DB01065 Melatonin BE0000123 ESR1 P03372 ESR1_HUMAN antagonist 15229223; 19796047 "del Rio B, Garcia Pedrero JM, Martinez-Campa C, Zuazua P, Lazo PS, Ramos S: Melatonin, an endogenous-specific inhibitor of estrogen receptor alpha via calmodulin. J Biol Chem. 2004 Sep 10;279(37):38294-302. Epub 2004 Jun 30.@@Yoo YM, Jeung EB: Melatonin-induced estrogen receptor alpha-mediated calbindin-D9k expression plays a role in H2O2-mediated cell death in rat pituitary GH3 cells. J Pineal Res. 2009 Nov;47(4):301-7. doi: 10.1111/j.1600-079X.2009.00714.x. Epub 2009 Oct 1." Approved; Nutraceutical; Vet_approved 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles "Melatonin, agonists; Antioxidants; Melatonin Receptor Agonists; Amines; Biogenic Amines; Protective Agents; Indoles; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Hormones; Cytochrome P-450 CYP2C19 Substrates; Biological Factors; Heterocyclic Compounds, Fused-Ring; Compounds used in a research, industrial, or household setting; OAT3/SLC22A8 Inhibitors; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Biogenic Monoamines; Tryptamines; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" COC1=CC2=C(NC=C2CCNC(C)=O)C=C1 Tryptophan Metabolism metabolic 7341 46509101 D08170 PA164752558 DAP000429 Melatonin CHEMBL45 6711 DB01065 Melatonin BE0003555 EPX P11678 PERE_HUMAN inhibitor 18516076 "Lu T, Galijasevic S, Abdulhamid I, Abu-Soud HM: Analysis of the mechanism by which melatonin inhibits human eosinophil peroxidase. Br J Pharmacol. 2008 Jul;154(6):1308-17. doi: 10.1038/bjp.2008.173. Epub 2008 Jun 2." Approved; Nutraceutical; Vet_approved 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles "Melatonin, agonists; Antioxidants; Melatonin Receptor Agonists; Amines; Biogenic Amines; Protective Agents; Indoles; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Hormones; Cytochrome P-450 CYP2C19 Substrates; Biological Factors; Heterocyclic Compounds, Fused-Ring; Compounds used in a research, industrial, or household setting; OAT3/SLC22A8 Inhibitors; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Biogenic Monoamines; Tryptamines; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" COC1=CC2=C(NC=C2CCNC(C)=O)C=C1 Tryptophan Metabolism metabolic 7341 46509101 D08170 PA164752558 DAP000429 Melatonin CHEMBL45 6711 DB01065 Melatonin BE0002109 CALR P27797 CALR_HUMAN 19449447; 12603316 "Hardeland R: Melatonin: signaling mechanisms of a pleiotropic agent. Biofactors. 2009 Mar-Apr;35(2):183-92. doi: 10.1002/biof.23.@@Macias M, Escames G, Leon J, Coto A, Sbihi Y, Osuna A, Acuna-Castroviejo D: Calreticulin-melatonin. An unexpected relationship. Eur J Biochem. 2003 Mar;270(5):832-40." Approved; Nutraceutical; Vet_approved 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles "Melatonin, agonists; Antioxidants; Melatonin Receptor Agonists; Amines; Biogenic Amines; Protective Agents; Indoles; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Hormones; Cytochrome P-450 CYP2C19 Substrates; Biological Factors; Heterocyclic Compounds, Fused-Ring; Compounds used in a research, industrial, or household setting; OAT3/SLC22A8 Inhibitors; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Biogenic Monoamines; Tryptamines; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" COC1=CC2=C(NC=C2CCNC(C)=O)C=C1 Tryptophan Metabolism metabolic 7341 46509101 D08170 PA164752558 DAP000429 Melatonin CHEMBL45 6711 DB01067 Glipizide BE0000215 PPARG P37231 PPARG_HUMAN agonist 17082235 "Scarsi M, Podvinec M, Roth A, Hug H, Kersten S, Albrecht H, Schwede T, Meyer UA, Rucker C: Sulfonylureas and glinides exhibit peroxisome proliferator-activated receptor gamma activity: a combined virtual screening and biological assay approach. Mol Pharmacol. 2007 Feb;71(2):398-406. Epub 2006 Nov 2." Approved; Investigational Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides Drugs Used in Diabetes; Insulin Secretagogues; Oral Hypoglycemics; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Hypoglycemia-Associated Agents; Sulfones; Sulfonylureas; UGT1A1 Substrates; Sulfur Compounds; Drugs that are Mainly Renally Excreted; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; BSEP/ABCB11 Substrates CC1=NC=C(N=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1 46505865 D00335 PA449762 DAP000920 Glipizide CHEMBL1073 4821 DB01068 Clonazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved; Illicit "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Cytochrome P-450 CYP3A Substrates; Muscle Relaxants, Centrally Acting Agents; GABA Agents; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Heterocyclic Compounds, Fused-Ring; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Nervous System; Anticonvulsants" [O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1 2192 46507677 D00280 PA449050 DAP000259 Clonazepam CHEMBL452 2598 DB01069 Promethazine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11752352; 12657913; 8098142; 2576052; 3011460; 9442829; 2866055 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Suzuki A, Yasui-Furukori N, Mihara K, Kondo T, Furukori H, Inoue Y, Kaneko S, Otani K: Histamine H1-receptor antagonists, promethazine and homochlorcyclizine, increase the steady-state plasma concentrations of haloperidol and reduced haloperidol. Ther Drug Monit. 2003 Apr;25(2):192-6.@@Smith BN, Armstrong WE: Histamine enhances the depolarizing afterpotential of immunohistochemically identified vasopressin neurons in the rat supraoptic nucleus via H1-receptor activation. Neuroscience. 1993 Apr;53(3):855-64.@@Miller RA, Tu AT: Factors in snake venoms that increase capillary permeability. J Pharm Pharmacol. 1989 Nov;41(11):792-4.@@Claro E, Arbones L, Garcia A, Picatoste F: Phosphoinositide hydrolysis mediated by histamine H1-receptors in rat brain cortex. Eur J Pharmacol. 1986 Apr 16;123(2):187-96.@@Ikeda H, Kubo N, Nakamura A, Harada N, Minamino M, Yamashita T: Histamine-induced calcium released from cultured human mucosal microvascular endothelial cells from nasal inferior turbinate. Acta Otolaryngol. 1997 Nov;117(6):864-70.@@Paton DM, Webster DR: Clinical pharmacokinetics of H1-receptor antagonists (the antihistamines). Clin Pharmacokinet. 1985 Nov-Dec;10(6):477-97." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Phenothiazines; Phenothiazine Derivatives; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Agents that reduce seizure threshold; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Propylamines" CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C Promethazine H1-Antihistamine Action drug_action 7952 46507798 D00494 PA451128 DAP000334 Promethazine CHEMBL643 8745 DB01069 Promethazine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 12476402 "Golembiewski JA, O'Brien D: A systematic approach to the management of postoperative nausea and vomiting. J Perianesth Nurs. 2002 Dec;17(6):364-76." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Phenothiazines; Phenothiazine Derivatives; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Agents that reduce seizure threshold; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Propylamines" CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C Promethazine H1-Antihistamine Action drug_action 7952 46507798 D00494 PA451128 DAP000334 Promethazine CHEMBL643 8745 DB01069 Promethazine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 12476402 "Golembiewski JA, O'Brien D: A systematic approach to the management of postoperative nausea and vomiting. J Perianesth Nurs. 2002 Dec;17(6):364-76." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Phenothiazines; Phenothiazine Derivatives; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Agents that reduce seizure threshold; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Propylamines" CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C Promethazine H1-Antihistamine Action drug_action 7952 46507798 D00494 PA451128 DAP000334 Promethazine CHEMBL643 8745 DB01069 Promethazine BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 12476402 "Golembiewski JA, O'Brien D: A systematic approach to the management of postoperative nausea and vomiting. J Perianesth Nurs. 2002 Dec;17(6):364-76." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Phenothiazines; Phenothiazine Derivatives; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Agents that reduce seizure threshold; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Propylamines" CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C Promethazine H1-Antihistamine Action drug_action 7952 46507798 D00494 PA451128 DAP000334 Promethazine CHEMBL643 8745 DB01069 Promethazine BE0000112 HRH2 P25021 HRH2_HUMAN antagonist 1377455 "Dick W, Lorenz W, Heintz D, Sitter H, Doenicke A: [Histamine release during induction of combination anesthesia using nalbuphine or fentanyl. Modulation of the reaction by premedication with promethazine/pethidine]. Anaesthesist. 1992;41(5):239-47." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Phenothiazines; Phenothiazine Derivatives; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Agents that reduce seizure threshold; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Propylamines" CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C Promethazine H1-Antihistamine Action drug_action 7952 46507798 D00494 PA451128 DAP000334 Promethazine CHEMBL643 8745 DB01069 Promethazine BE0009827 LPAR4 O00398 P2Y10_HUMAN inhibitor 24350243; 16714778 "Cantisani C, Ricci S, Grieco T, Paolino G, Faina V, Silvestri E, Calvieri S: Topical promethazine side effects: our experience and review of the literature. Biomed Res Int. 2013;2013:151509. doi: 10.1155/2013/151509. Epub 2013 Nov 19.@@Horvat A, Orlic T, Banjac A, Momic T, Petrovic S, Demajo M: Inhibition of rat brain ecto-atpase activity by various drugs. Gen Physiol Biophys. 2006 Mar;25(1):91-105." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Phenothiazines; Phenothiazine Derivatives; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Agents that reduce seizure threshold; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Propylamines" CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C Promethazine H1-Antihistamine Action drug_action 7952 46507798 D00494 PA451128 DAP000334 Promethazine CHEMBL643 8745 DB01069 Promethazine BE0009738 SCN1A Q15858 SCN9A_HUMAN inhibitor 24350243; 1327391 "Cantisani C, Ricci S, Grieco T, Paolino G, Faina V, Silvestri E, Calvieri S: Topical promethazine side effects: our experience and review of the literature. Biomed Res Int. 2013;2013:151509. doi: 10.1155/2013/151509. Epub 2013 Nov 19.@@Tanaka H, Habuchi Y, Nishimura M, Sato N, Watanabe Y: Blockade of Na+ current by promethazine in guinea-pig ventricular myocytes. Br J Pharmacol. 1992 Aug;106(4):900-5. doi: 10.1111/j.1476-5381.1992.tb14432.x." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Phenothiazines; Phenothiazine Derivatives; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Agents that reduce seizure threshold; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Propylamines" CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C Promethazine H1-Antihistamine Action drug_action 7952 46507798 D00494 PA451128 DAP000334 Promethazine CHEMBL643 8745 DB01069 Promethazine BE0009847 KCNA1 Q13303 KCAB2_HUMAN inducer 24350243; 10608284 "Cantisani C, Ricci S, Grieco T, Paolino G, Faina V, Silvestri E, Calvieri S: Topical promethazine side effects: our experience and review of the literature. Biomed Res Int. 2013;2013:151509. doi: 10.1155/2013/151509. Epub 2013 Nov 19.@@Galeotti N, Ghelardini C, Bartolini A: The role of potassium channels in antihistamine analgesia. Neuropharmacology. 1999 Dec;38(12):1893-901. doi: 10.1016/s0028-3908(99)00068-4." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Phenothiazines; Phenothiazine Derivatives; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Agents that reduce seizure threshold; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Propylamines" CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C Promethazine H1-Antihistamine Action drug_action 7952 46507798 D00494 PA451128 DAP000334 Promethazine CHEMBL643 8745 DB01070 Dihydrotachysterol BE0000779 VDR P11473 VDR_HUMAN agonist 17139284; 17016423; 8380156; 1336906; 20525913; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Qaw F, Calverley MJ, Schroeder NJ, Trafford DJ, Makin HL, Jones G: In vivo metabolism of the vitamin D analog, dihydrotachysterol. Evidence for formation of 1 alpha,25- and 1 beta,25-dihydroxy-dihydrotachysterol metabolites and studies of their biological activity. J Biol Chem. 1993 Jan 5;268(1):282-92.@@Qaw FS, Makin HL, Jones G: Metabolism of 25-hydroxydihydrotachysterol3 in bone cells in vitro. Steroids. 1992 May;57(5):236-43.@@Gallagher JC, Sai AJ: Vitamin D insufficiency, deficiency, and bone health. J Clin Endocrinol Metab. 2010 Jun;95(6):2630-3. doi: 10.1210/jc.2010-0918.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives "Cholestanes; Fused-Ring Compounds; Sterols; Physiological Phenomena; Secosteroids; Vitamins; Vitamins (Fat Soluble); Diet, Food, and Nutrition; Vitamin D and Analogues; Bone Density Conservation Agents; Lipids; Food; Cholestenes; Steroids; Alimentary Tract and Metabolism; Membrane Lipids; Micronutrients" CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CC[C@@H]1C 4921 46507699 D00299 PA164744345 DAP000365 Dihydrotachysterol CHEMBL2356023 3429 DB01071 Mequitazine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 9454781; 7650688; 8808167; 7511558; 12244568; 6418550; 11752352 "Nakamura K, Yokoi T, Kodama T, Inoue K, Nagashima K, Shimada N, Shimizu T, Kamataki T: Oxidation of histamine H1 antagonist mequitazine is catalyzed by cytochrome P450 2D6 in human liver microsomes. J Pharmacol Exp Ther. 1998 Feb;284(2):437-42.@@ter Laak AM, Venhorst J, Donne-Op den Kelder GM, Timmerman H: The histamine H1-receptor antagonist binding site. A stereoselective pharmacophoric model based upon (semi-)rigid H1-antagonists and including a known interaction site on the receptor. J Med Chem. 1995 Aug 18;38(17):3351-60.@@Wiseman LR, Faulds D: Ebastine. a review of its pharmacological properties and clinical efficacy in the treatment of allergic disorders. Drugs. 1996 Feb;51(2):260-77.@@Yakuo I, Ishii K, Seto Y, Imano K, Takeyama K, Nakamura H, Karasawa T: [Pharmacological study of ebastine, a novel histamine H1-receptor antagonist]. Nihon Yakurigaku Zasshi. 1994 Mar;103(3):121-35.@@Wang YJ, Yu CF, Chen LC, Chen CH, Lin JK, Liang YC, Lin CH, Lin SY, Chen CF, Ho YS: Ketoconazole potentiates terfenadine-induced apoptosis in human Hep G2 cells through inhibition of cytochrome p450 3A4 activity. J Cell Biochem. 2002;87(2):147-59.@@Nicholson AN, Stone BM: The H1-antagonist mequitazine: studies on performance and visual function. Eur J Clin Pharmacol. 1983;25(4):563-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Anti-Allergic Agents; Phenothiazine Derivatives; QTc Prolonging Agents; Histamine H1 Antagonists; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents" C(C1CN2CCC1CC2)N1C2=CC=CC=C2SC2=CC=CC=C12 Mequitazine H1-Antihistamine Action drug_action 46505779 D01324 PA164748010 DAP001078 Mequitazine CHEMBL73451 29528 DB01073 Fludarabine BE0000546 POLA1 P09884 DPOLA_HUMAN inhibitor 17139284; 17016423; 19519505; 19325518; 17168705 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lech-Maranda E, Korycka A, Robak T: Clofarabine as a novel nucleoside analogue approved to treat patients with haematological malignancies: mechanism of action and clinical activity. Mini Rev Med Chem. 2009 Jun;9(7):805-12.@@Robak T, Korycka A, Lech-Maranda E, Robak P: Current status of older and new purine nucleoside analogues in the treatment of lymphoproliferative diseases. Molecules. 2009 Mar 23;14(3):1183-226. doi: 10.3390/molecules14031183.@@Robak T, Lech-Maranda E, Korycka A, Robak E: Purine nucleoside analogs as immunosuppressive and antineoplastic agents: mechanism of action and clinical activity. Curr Med Chem. 2006;13(26):3165-89." Approved Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" "Myelosuppressive Agents; Purines; Nucleosides; Antimetabolites; Noxae; Myeloablative Agonists; Adenine Nucleotides; Cardiotoxic antineoplastic agents; Immunologic Factors; Nucleotides; Arabinonucleosides; Antineoplastic Agents; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; DNA (Cytosine-5-)-Methyltransferases, antagonists & inhibitors; Antineoplastic and Immunomodulating Agents; Purine Nucleotides; Arabinonucleotides; Narrow Therapeutic Index Drugs; Toxic Actions; Purine Analogues" NC1=NC(F)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 11349 46507525 D01907 PA449655 DAP000567 Fludarabine CHEMBL1568 24698 DB01073 Fludarabine BE0000325 RRM1 P23921 RIR1_HUMAN inhibitor 17139284; 17016423; 19519505; 19325518 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lech-Maranda E, Korycka A, Robak T: Clofarabine as a novel nucleoside analogue approved to treat patients with haematological malignancies: mechanism of action and clinical activity. Mini Rev Med Chem. 2009 Jun;9(7):805-12.@@Robak T, Korycka A, Lech-Maranda E, Robak P: Current status of older and new purine nucleoside analogues in the treatment of lymphoproliferative diseases. Molecules. 2009 Mar 23;14(3):1183-226. doi: 10.3390/molecules14031183." Approved Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" "Myelosuppressive Agents; Purines; Nucleosides; Antimetabolites; Noxae; Myeloablative Agonists; Adenine Nucleotides; Cardiotoxic antineoplastic agents; Immunologic Factors; Nucleotides; Arabinonucleosides; Antineoplastic Agents; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; DNA (Cytosine-5-)-Methyltransferases, antagonists & inhibitors; Antineoplastic and Immunomodulating Agents; Purine Nucleotides; Arabinonucleotides; Narrow Therapeutic Index Drugs; Toxic Actions; Purine Analogues" NC1=NC(F)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 11349 46507525 D01907 PA449655 DAP000567 Fludarabine CHEMBL1568 24698 DB01074 Perhexiline BE0000406 CPT1A P50416 CPT1A_HUMAN inhibitor 17139284; 17016423; 11117381; 16306812; 8694852; 17445089; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kennedy JA, Kiosoglous AJ, Murphy GA, Pelle MA, Horowitz JD: Effect of perhexiline and oxfenicine on myocardial function and metabolism during low-flow ischemia/reperfusion in the isolated rat heart. J Cardiovasc Pharmacol. 2000 Dec;36(6):794-801.@@Unger SA, Kennedy JA, McFadden-Lewis K, Minerds K, Murphy GA, Horowitz JD: Dissociation between metabolic and efficiency effects of perhexiline in normoxic rat myocardium. J Cardiovasc Pharmacol. 2005 Dec;46(6):849-55.@@Kennedy JA, Unger SA, Horowitz JD: Inhibition of carnitine palmitoyltransferase-1 in rat heart and liver by perhexiline and amiodarone. Biochem Pharmacol. 1996 Jul 26;52(2):273-80.@@Ashrafian H, Horowitz JD, Frenneaux MP: Perhexiline. Cardiovasc Drug Rev. 2007 Spring;25(1):76-97.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Piperidines Organic compounds; Organoheterocyclic compounds; Piperidines Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Non-Selective Calcium Channel Blockers; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Negative Inotrope; Membrane Transport Modulators; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Piperidines; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1 46504471 PA130150436 DAP000957 Perhexiline CHEMBL75880 8050 DB01075 Diphenhydramine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11752352; 17169617; 16702624; 17390763; 17196194; 17329841; 2878016; 3691636; 1360248 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Piao H, Nagai S, Tsurumaki T, Niki T, Higuchi H: Potentiation by neuropeptide Y of histamine H1 receptor-mediated contraction in rat blood vessels. Vascul Pharmacol. 2007 Apr;46(4):260-70. Epub 2006 Oct 27.@@Kesiova M, Alexandrova A, Yordanova N, Kirkova M, Todorov S: Effects of diphenhydramine and famotidine on lipid peroxidation and activities of antioxidant enzymes in different rat tissues. Pharmacol Rep. 2006 Mar-Apr;58(2):221-8.@@Hasala H, Moilanen E, Janka-Junttila M, Giembycz MA, Kankaanranta H: First-generation antihistamines diphenhydramine and chlorpheniramine reverse cytokine-afforded eosinophil survival by enhancing apoptosis. Allergy Asthma Proc. 2007 Jan-Feb;28(1):79-86.@@Wang Z, Woolverton WL: Self-administration of cocaine-antihistamine combinations: super-additive reinforcing effects. Eur J Pharmacol. 2007 Feb 28;557(2-3):159-60. Epub 2006 Dec 1.@@Ishikawa T, Takechi K, Rahman A, Ago J, Matsumoto N, Murakami A, Kamei C: Influences of histamine H1 receptor antagonists on maximal electroshock seizure in infant rats. Biol Pharm Bull. 2007 Mar;30(3):477-80.@@Havas TE, Cole P, Parker L, Oprysk D, Ayiomamitis A: The effects of combined H1 and H2 histamine antagonists on alterations in nasal airflow resistance induced by topical histamine provocation. J Allergy Clin Immunol. 1986 Nov;78(5 Pt 1):856-60.@@Rubinstein R, Nissenkorn I, Cohen S: Acetylcholine mediation of the contractile response to histamine in human bladder detrusor muscle. Eur J Pharmacol. 1987 Oct 6;142(1):45-50. doi: 10.1016/0014-2999(87)90652-2.@@Casy AF, Drake AF, Ganellin CR, Mercer AD, Upton C: Stereochemical studies of chiral H-1 antagonists of histamine: the resolution, chiral analysis, and biological evaluation of four antipodal pairs. Chirality. 1992;4(6):356-66. doi: 10.1002/chir.530040606." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; OCT2 Inhibitors; Amines; QTc Prolonging Agents; Aminoalkyl Ethers; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Benzene Derivatives; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Gastrointestinal Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Anesthetics; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Anticholinergic Agents; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Anesthetics, Local; Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; First Generation Antihistamines; Ethanolamine Derivatives; Antiemetics; Antihistamines for Systemic Use; Benzhydryl Compounds; Ethylamines; Antihistamines for Topical Use; Histamine Agents" CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 Diphenhydramine H1-Antihistamine Action drug_action 2429 46505484 D00300 PA449349 DAP000490 Diphenhydramine CHEMBL657 3498 DB01075 Diphenhydramine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 16453179 "Liu H, Zheng Q, Farley JM: Antimuscarinic actions of antihistamines on the heart. J Biomed Sci. 2006 May;13(3):395-401." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; OCT2 Inhibitors; Amines; QTc Prolonging Agents; Aminoalkyl Ethers; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Benzene Derivatives; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Gastrointestinal Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Anesthetics; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Anticholinergic Agents; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Anesthetics, Local; Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; First Generation Antihistamines; Ethanolamine Derivatives; Antiemetics; Antihistamines for Systemic Use; Benzhydryl Compounds; Ethylamines; Antihistamines for Topical Use; Histamine Agents" CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 Diphenhydramine H1-Antihistamine Action drug_action 2429 46505484 D00300 PA449349 DAP000490 Diphenhydramine CHEMBL657 3498 DB01076 Atorvastatin BE0000574 HMGCR P04035 HMDH_HUMAN inhibitor 12769127; 12808485; 15109613; 15474503; 15748157; 11752352 "Davidson MH: Rosuvastatin: a highly efficacious statin for the treatment of dyslipidaemia. Expert Opin Investig Drugs. 2002 Mar;11(3):125-41.@@Jafari M, Ebrahimi R, Ahmadi-Kashani M, Balian H, Bashir M: Efficacy of alternate-day dosing versus daily dosing of atorvastatin. J Cardiovasc Pharmacol Ther. 2003 Jun;8(2):123-6.@@Baxter JD, Webb P, Grover G, Scanlan TS: Selective activation of thyroid hormone signaling pathways by GC-1: a new approach to controlling cholesterol and body weight. Trends Endocrinol Metab. 2004 May-Jun;15(4):154-7.@@Maejima T, Yamazaki H, Aoki T, Tamaki T, Sato F, Kitahara M, Saito Y: Effect of pitavastatin on apolipoprotein A-I production in HepG2 cell. Biochem Biophys Res Commun. 2004 Nov 12;324(2):835-9.@@Bosel J, Gandor F, Harms C, Synowitz M, Harms U, Djoufack PC, Megow D, Dirnagl U, Hortnagl H, Fink KB, Endres M: Neuroprotective effects of atorvastatin against glutamate-induced excitotoxicity in primary cortical neurones. J Neurochem. 2005 Mar;92(6):1386-98.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Diphenylpyrroles Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Fatty Acids; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Lipid Modifying Agents, Plain; UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Lipids; OATP2B1/SLCO2B1 substrates; Heptanoic Acids; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); OATP1B3 substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Toxic Actions; Cytochrome P-450 CYP3A7 Substrates" CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 11366 46506188 D07474 PA448500 DAP000553 Atorvastatin CHEMBL1487 1483793 DB01076 Atorvastatin BE0003721 AHR P35869 AHR_HUMAN agonist 17327465; 23703578; 26366873 "Hu W, Sorrentino C, Denison MS, Kolaja K, Fielden MR: Induction of cyp1a1 is a nonspecific biomarker of aryl hydrocarbon receptor activation: results of large scale screening of pharmaceuticals and toxicants in vivo and in vitro. Mol Pharmacol. 2007 Jun;71(6):1475-86. Epub 2007 Feb 27.@@Chauvin B, Drouot S, Barrail-Tran A, Taburet AM: Drug-drug interactions between HMG-CoA reductase inhibitors (statins) and antiviral protease inhibitors. Clin Pharmacokinet. 2013 Oct;52(10):815-31. doi: 10.1007/s40262-013-0075-4.@@Korhonova M, Doricakova A, Dvorak Z: Optical Isomers of Atorvastatin, Rosuvastatin and Fluvastatin Enantiospecifically Activate Pregnane X Receptor PXR and Induce CYP2A6, CYP2B6 and CYP3A4 in Human Hepatocytes. PLoS One. 2015 Sep 14;10(9):e0137720. doi: 10.1371/journal.pone.0137720. eCollection 2015." Approved Diphenylpyrroles Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Fatty Acids; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Lipid Modifying Agents, Plain; UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Lipids; OATP2B1/SLCO2B1 substrates; Heptanoic Acids; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); OATP1B3 substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Toxic Actions; Cytochrome P-450 CYP3A7 Substrates" CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 11366 46506188 D07474 PA448500 DAP000553 Atorvastatin CHEMBL1487 1483793 DB01076 Atorvastatin BE0002366 HDAC2 Q92769 HDAC2_HUMAN inhibitor 18381445 "Lin YC, Lin JH, Chou CW, Chang YF, Yeh SH, Chen CC: Statins increase p21 through inhibition of histone deacetylase activity and release of promoter-associated HDAC1/2. Cancer Res. 2008 Apr 1;68(7):2375-83. doi: 10.1158/0008-5472.CAN-07-5807." Approved Diphenylpyrroles Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Fatty Acids; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Lipid Modifying Agents, Plain; UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Lipids; OATP2B1/SLCO2B1 substrates; Heptanoic Acids; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); OATP1B3 substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Toxic Actions; Cytochrome P-450 CYP3A7 Substrates" CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 11366 46506188 D07474 PA448500 DAP000553 Atorvastatin CHEMBL1487 1483793 DB01077 Etidronic acid BE0003567 PTPRS Q13332 PTPRS_HUMAN inhibitor 8610169; 11752352; 21555003 "Schmidt A, Rutledge SJ, Endo N, Opas EE, Tanaka H, Wesolowski G, Leu CT, Huang Z, Ramachandaran C, Rodan SB, Rodan GA: Protein-tyrosine phosphatase activity regulates osteoclast formation and function: inhibition by alendronate. Proc Natl Acad Sci U S A. 1996 Apr 2;93(7):3068-73.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Russell RG: Bisphosphonates: the first 40 years. Bone. 2011 Jul;49(1):2-19. doi: 10.1016/j.bone.2011.04.022. Epub 2011 May 1." Approved Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates Organophosphonates; Drugs Affecting Bone Structure and Mineralization; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs for Treatment of Bone Diseases CC(O)(P(O)(O)=O)P(O)(O)=O 12611 46507694 D02373 PA449548 DNC000629 Etidronic_acid CHEMBL871 1356715 DB01077 Etidronic acid BE0003569 ATP6V1A P38606 VATA_HUMAN inhibitor 8889850; 21555003 "David P, Nguyen H, Barbier A, Baron R: The bisphosphonate tiludronate is a potent inhibitor of the osteoclast vacuolar H(+)-ATPase. J Bone Miner Res. 1996 Oct;11(10):1498-507.@@Russell RG: Bisphosphonates: the first 40 years. Bone. 2011 Jul;49(1):2-19. doi: 10.1016/j.bone.2011.04.022. Epub 2011 May 1." Approved Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates Organophosphonates; Drugs Affecting Bone Structure and Mineralization; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs for Treatment of Bone Diseases CC(O)(P(O)(O)=O)P(O)(O)=O 12611 46507694 D02373 PA449548 DNC000629 Etidronic_acid CHEMBL871 1356715 DB01078 Deslanoside BE0000732 ATP1A1 P05023 AT1A1_HUMAN inhibitor 16319518; 11752352 "Zhao YN, Pan Y, Tao JL, Xing DM, Du LJ: Study on cardioactive effects of brazilein. Pharmacology. 2006;76(2):76-83. Epub 2005 Nov 24.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Cardenolide glycosides and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones "Antiarrhythmic agents; Fused-Ring Compounds; Cardiovascular Agents; Lanatosides; Cardanolides; Steroids; Glycosides; Cardiac Therapy; Enzyme Inhibitors; Carbohydrates; Digitalis Glycosides; Protective Agents; Compounds used in a research, industrial, or household setting; Cardiac Glycosides; Cardenolides; Cardiotonic Agents" C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1 46507176 D01240 PA164747478 DAP000464 Deslanoside CHEMBL1614 3248 DB01079 Tegaserod BE0000084 HTR4 Q13639 5HT4R_HUMAN antagonist 11207504; 11876686; 12150698; 15466450; 15645012; 11752352 "Camilleri M: Review article: tegaserod. Aliment Pharmacol Ther. 2001 Mar;15(3):277-89.@@Kamm MA: Review article: the complexity of drug development for irritable bowel syndrome. Aliment Pharmacol Ther. 2002 Mar;16(3):343-51.@@Corsetti M, Tack J: Tegaserod: a new 5-HT(4) agonist in the treatment of irritable bowel syndrome. Expert Opin Pharmacother. 2002 Aug;3(8):1211-8.@@Beattie DT, Smith JA, Marquess D, Vickery RG, Armstrong SR, Pulido-Rios T, McCullough JL, Sandlund C, Richardson C, Mai N, Humphrey PP: The 5-HT4 receptor agonist, tegaserod, is a potent 5-HT2B receptor antagonist in vitro and in vivo. Br J Pharmacol. 2004 Nov;143(5):549-60. Epub 2004 Oct 4.@@Cole P, Rabasseda X: Tegaserod: a serotonin 5-HT4 receptor agonist for treatment of constipation-predominant irritable bowel syndrome. Drugs Today (Barc). 2004 Dec;40(12):1013-30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Withdrawn Indoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Alimentary Tract and Metabolism; BCRP/ABCG2 Substrates; Serotonin-4 Receptor Agonist; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inhibitors; Serotonin 4 Receptor Agonists; Serotonin Agents; Laxatives; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Drugs for Constipation" CCCCCNC(=N)N\N=C\C1=CNC2=C1C=C(OC)C=C2 46506519 D06056 PA130413154 DAP001526 Tegaserod CHEMBL76370 139778 DB01079 Tegaserod BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 15466450 "Beattie DT, Smith JA, Marquess D, Vickery RG, Armstrong SR, Pulido-Rios T, McCullough JL, Sandlund C, Richardson C, Mai N, Humphrey PP: The 5-HT4 receptor agonist, tegaserod, is a potent 5-HT2B receptor antagonist in vitro and in vivo. Br J Pharmacol. 2004 Nov;143(5):549-60. Epub 2004 Oct 4." Approved; Investigational; Withdrawn Indoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Alimentary Tract and Metabolism; BCRP/ABCG2 Substrates; Serotonin-4 Receptor Agonist; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inhibitors; Serotonin 4 Receptor Agonists; Serotonin Agents; Laxatives; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Drugs for Constipation" CCCCCNC(=N)N\N=C\C1=CNC2=C1C=C(OC)C=C2 46506519 D06056 PA130413154 DAP001526 Tegaserod CHEMBL76370 139778 DB01079 Tegaserod BE0000393 HTR2B P41595 5HT2B_HUMAN antagonist 15466450; 16495076; 16629860 "Beattie DT, Smith JA, Marquess D, Vickery RG, Armstrong SR, Pulido-Rios T, McCullough JL, Sandlund C, Richardson C, Mai N, Humphrey PP: The 5-HT4 receptor agonist, tegaserod, is a potent 5-HT2B receptor antagonist in vitro and in vivo. Br J Pharmacol. 2004 Nov;143(5):549-60. Epub 2004 Oct 4.@@McCullough JL, Armstrong SR, Hegde SS, Beattie DT: The 5-HT2B antagonist and 5-HT4 agonist activities of tegaserod in the anaesthetized rat. Pharmacol Res. 2006 Apr;53(4):353-8. Epub 2006 Feb 21.@@Greenwood-Van Meerveld B, Campbell-Dittmeyer K, Johnson AC, Hicks GA: 5-HT2B receptors do not modulate sensitivity to colonic distension in rats with acute colorectal hypersensitivity. Neurogastroenterol Motil. 2006 May;18(5):343-5." Approved; Investigational; Withdrawn Indoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Alimentary Tract and Metabolism; BCRP/ABCG2 Substrates; Serotonin-4 Receptor Agonist; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inhibitors; Serotonin 4 Receptor Agonists; Serotonin Agents; Laxatives; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Drugs for Constipation" CCCCCNC(=N)N\N=C\C1=CNC2=C1C=C(OC)C=C2 46506519 D06056 PA130413154 DAP001526 Tegaserod CHEMBL76370 139778 DB01081 Diphenoxylate BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 11752352; 18192961; 10202212; 8583364; 8386327 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Baker DE: Loperamide: a pharmacological review. Rev Gastroenterol Disord. 2007;7 Suppl 3:S11-8.@@Corazziari E: Role of opioid ligands in the irritable bowel syndrome. Can J Gastroenterol. 1999 Mar;13 Suppl A:71A-75A.@@Coupar IM: The peristaltic reflex in the rat ileum: evidence for functional mu- and delta-opiate receptors. J Pharm Pharmacol. 1995 Aug;47(8):643-6.@@De Luca A, Coupar IM: Difenoxin and loperamide: studies on possible mechanisms of intestinal antisecretory action. Naunyn Schmiedebergs Arch Pharmacol. 1993 Feb;347(2):231-7." Approved; Illicit Diphenylacetonitriles Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylacetonitriles "Sensory System Agents; Piperidines; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Central Nervous System Agents; Central Nervous System Depressants; Antidiarrheals; Isonipecotic Acids; Opioids; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Gastrointestinal Agents; Peripheral Nervous System Agents; Analgesics; Antipropulsives; Alimentary Tract and Metabolism" CCOC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1 Diphenoxylate Action Pathway drug_action 20254 46507130 D00301 PA164746539 DAP001136 Diphenoxylate CHEMBL1201294 3500 DB01081 Diphenoxylate BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 8583364 Coupar IM: The peristaltic reflex in the rat ileum: evidence for functional mu- and delta-opiate receptors. J Pharm Pharmacol. 1995 Aug;47(8):643-6. Approved; Illicit Diphenylacetonitriles Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylacetonitriles "Sensory System Agents; Piperidines; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Central Nervous System Agents; Central Nervous System Depressants; Antidiarrheals; Isonipecotic Acids; Opioids; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Gastrointestinal Agents; Peripheral Nervous System Agents; Analgesics; Antipropulsives; Alimentary Tract and Metabolism" CCOC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1 Diphenoxylate Action Pathway drug_action 20254 46507130 D00301 PA164746539 DAP001136 Diphenoxylate CHEMBL1201294 3500 DB01083 Orlistat BE0000959 FASN P49327 FAS_HUMAN inhibitor 15026345; 19381703; 17618296 "Kridel SJ, Axelrod F, Rozenkrantz N, Smith JW: Orlistat is a novel inhibitor of fatty acid synthase with antitumor activity. Cancer Res. 2004 Mar 15;64(6):2070-5.@@Dowling S, Cox J, Cenedella RJ: Inhibition of fatty acid synthase by Orlistat accelerates gastric tumor cell apoptosis in culture and increases survival rates in gastric tumor bearing mice in vivo. Lipids. 2009 Jun;44(6):489-98. doi: 10.1007/s11745-009-3298-2. Epub 2009 Apr 21.@@Pemble CW 4th, Johnson LC, Kridel SJ, Lowther WT: Crystal structure of the thioesterase domain of human fatty acid synthase inhibited by Orlistat. Nat Struct Mol Biol. 2007 Aug;14(8):704-9. Epub 2007 Jul 8." Approved; Investigational Leucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Intestinal Lipase Inhibitor; Cytochrome P-450 Enzyme Inducers; Lipase Inhibitors; Peripherally Acting Antiobesity Products; Enzyme Inhibitors; Antiobesity Preparations, Excl. Diet Products; Anti-Obesity Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Lactones; Lipid Regulating Agents; Cytochrome P-450 CYP3A4 Inducers; Miscellaneous GI Drugs; Alimentary Tract and Metabolism" CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O 11884 46508309 PA164776864 DAP000053 Orlistat CHEMBL175247 37925 DB01084 Emedastine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 7714409; 7714410; 9747899; 19558341; 15553105; 18714531; 11752352 "Sharif NA, Su SX, Yanni JM: Emedastine: a potent, high affinity histamine H1-receptor-selective antagonist for ocular use: receptor binding and second messenger studies. J Ocul Pharmacol. 1994 Winter;10(4):653-64.@@Yanni JM, Stephens DJ, Parnell DW, Spellman JM: Preclinical efficacy of emedastine, a potent, selective histamine H1 antagonist for topical ocular use. J Ocul Pharmacol. 1994 Winter;10(4):665-75.@@Inagaki N, Sakurai T, Abe T, Musoh K, Kawasaki H, Tsunematsu M, Nagai H: Characterization of antihistamines using biphasic cutaneous reaction in BALB/c mice. Life Sci. 1998;63(11):PL 145-50.@@Murota H, Katayama I: Emedastine difumarate: a review of its potential ameliorating effect for tissue remodeling in allergic diseases. Expert Opin Pharmacother. 2009 Aug;10(11):1859-67. doi: 10.1517/14656560903078410.@@Corrado ME, Radicioni MM, Hartwig J, Assandri A, Oldeman HG, Mion A: Clinical study of the therapeutic efficacy and safety of emedastine difumarate versus terfenadine in the treatment of seasonal allergic rhinitis. Arzneimittelforschung. 2004;54(10):660-5.@@Murota H, Bae S, Hamasaki Y, Maruyama R, Katayama I: Emedastine difumarate inhibits histamine-induced collagen synthesis in dermal fibroblasts. J Investig Allergol Clin Immunol. 2008;18(4):245-52.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles "Histamine H1 Inhibitors; Anti-Allergic Agents; Heterocyclic Compounds, Fused-Ring; Ophthalmologicals; Decongestants and Antiallergics; QTc Prolonging Agents; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Sensory Organs" CCOCCN1C(=NC2=CC=CC=C12)N1CCCN(C)CC1 Emedastine H1-Antihistamine Action drug_action 11749 46505109 D07890 PA164751802 DAP001067 Emedastine CHEMBL594 28144 DB01085 Pilocarpine BE0000045 CHRM3 P20309 ACM3_HUMAN agonist 10372814; 32310588; 28893976 "Wang H, Shi H, Lu Y, Yang B, Wang Z: Pilocarpine modulates the cellular electrical properties of mammalian hearts by activating a cardiac M3 receptor and a K+ current. Br J Pharmacol. 1999 Apr;126(8):1725-34. doi: 10.1038/sj.bjp.0702486.@@Panarese V, Moshirfar M: Pilocarpine. .@@Pronin AN, Wang Q, Slepak VZ: Teaching an Old Drug New Tricks: Agonism, Antagonism, and Biased Signaling of Pilocarpine through M3 Muscarinic Acetylcholine Receptor. Mol Pharmacol. 2017 Nov;92(5):601-612. doi: 10.1124/mol.117.109678. Epub 2017 Sep 11." Approved; Investigational Alkaloids and derivatives Organic compounds; Alkaloids and derivatives Miotics; Cholinergic Agents; Autonomic Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Antiglaucoma Preparations and Miotics; Cytochrome P-450 CYP3A4 Inhibitors; Parasympathomimetics; Muscarinic Agonists; Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Receptor Agonist; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peripheral Nervous System Agents; Cholinergic Agonists; Parasympathomemetic (Cholinergic) Agents; Ophthalmologicals; Neurotransmitter Agents; Nervous System; Sensory Organs CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O 6600 46507475 D00525 PA450962 DAP001113 Pilocarpine CHEMBL550 8328 DB01085 Pilocarpine BE0000560 CHRM2 P08172 ACM2_HUMAN agonist 32310588; 28893976 "Panarese V, Moshirfar M: Pilocarpine. .@@Pronin AN, Wang Q, Slepak VZ: Teaching an Old Drug New Tricks: Agonism, Antagonism, and Biased Signaling of Pilocarpine through M3 Muscarinic Acetylcholine Receptor. Mol Pharmacol. 2017 Nov;92(5):601-612. doi: 10.1124/mol.117.109678. Epub 2017 Sep 11." Approved; Investigational Alkaloids and derivatives Organic compounds; Alkaloids and derivatives Miotics; Cholinergic Agents; Autonomic Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Antiglaucoma Preparations and Miotics; Cytochrome P-450 CYP3A4 Inhibitors; Parasympathomimetics; Muscarinic Agonists; Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Receptor Agonist; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peripheral Nervous System Agents; Cholinergic Agonists; Parasympathomemetic (Cholinergic) Agents; Ophthalmologicals; Neurotransmitter Agents; Nervous System; Sensory Organs CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O 6600 46507475 D00525 PA450962 DAP001113 Pilocarpine CHEMBL550 8328 DB01085 Pilocarpine BE0000247 CHRM5 P08912 ACM5_HUMAN agonist 28893976 "Pronin AN, Wang Q, Slepak VZ: Teaching an Old Drug New Tricks: Agonism, Antagonism, and Biased Signaling of Pilocarpine through M3 Muscarinic Acetylcholine Receptor. Mol Pharmacol. 2017 Nov;92(5):601-612. doi: 10.1124/mol.117.109678. Epub 2017 Sep 11." Approved; Investigational Alkaloids and derivatives Organic compounds; Alkaloids and derivatives Miotics; Cholinergic Agents; Autonomic Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Antiglaucoma Preparations and Miotics; Cytochrome P-450 CYP3A4 Inhibitors; Parasympathomimetics; Muscarinic Agonists; Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Receptor Agonist; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peripheral Nervous System Agents; Cholinergic Agonists; Parasympathomemetic (Cholinergic) Agents; Ophthalmologicals; Neurotransmitter Agents; Nervous System; Sensory Organs CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O 6600 46507475 D00525 PA450962 DAP001113 Pilocarpine CHEMBL550 8328 DB01087 Primaquine BE0002459 KRT7 P08729 K2C7_HUMAN other/unknown 12711178; 20713019 "Heard CM, Monk BV, Modley AJ: Binding of primaquine to epidermal membranes and keratin. Int J Pharm. 2003 May 12;257(1-2):237-44.@@Basso LG, Rodrigues RZ, Naal RM, Costa-Filho AJ: Effects of the antimalarial drug primaquine on the dynamic structure of lipid model membranes. Biochim Biophys Acta. 2011 Jan;1808(1):55-64. doi: 10.1016/j.bbamem.2010.08.009. Epub 2010 Aug 14." Approved Aminoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Antibiotics for Pneumocystis Pneumonia; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Cytochrome P-450 CYP3A Inhibitors; Antiprotozoals; Antimalarials; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Aminoquinolines; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Antiparasitic Agents; Methemoglobinemia Associated Agents; Anti-Infective Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Quinolines; Cytochrome P-450 CYP1A2 Substrates" COC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1 3336 46508222 PA451103 DAP000216 Primaquine CHEMBL506 8687 DB01088 Iloprost BE0001133 PDE4A P27815 PDE4A_HUMAN inducer 11551870; 12441759; 12952271; 2461561 "Wilkens H, Guth A, Konig J, Forestier N, Cremers B, Hennen B, Bohm M, Sybrecht GW: Effect of inhaled iloprost plus oral sildenafil in patients with primary pulmonary hypertension. Circulation. 2001 Sep 11;104(11):1218-22.@@Ghofrani HA, Rose F, Schermuly RT, Olschewski H, Wiedemann R, Weissmann N, Schudt C, Tenor H, Seeger W, Grimminger F: Amplification of the pulmonary vasodilatory response to inhaled iloprost by subthreshold phosphodiesterase types 3 and 4 inhibition in severe pulmonary hypertension. Crit Care Med. 2002 Nov;30(11):2489-92.@@Schermuly RT, Leuchte H, Ghofrani HA, Weissmann N, Rose F, Kohstall M, Olschewski H, Schudt C, Grimminger F, Seeger W, Walmrath D: Zardaverine and aerosolised iloprost in a model of acute respiratory failure. Eur Respir J. 2003 Aug;22(2):342-7.@@Grant PG, Mannarino AF, Colman RW: cAMP-mediated phosphorylation of the low-Km cAMP phosphodiesterase markedly stimulates its catalytic activity. Proc Natl Acad Sci U S A. 1988 Dec;85(23):9071-5." Approved; Investigational Prostaglandins and related compounds Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids "Inflammation Mediators; Eicosanoids; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; Fatty Acids; Antiplatelet agents; Prostacyclin Analogues; Agents Causing Muscle Toxicity; Biological Factors; Blood and Blood Forming Organs; Vasodilating Agents; Lipids; OATP2B1/SLCO2B1 substrates; Prostaglandins, Synthetic; Prostaglandins; Autacoids; Hematologic Agents; Fatty Acids, Unsaturated" [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O 46507818 PA164746843 DAP000273 Iloprost CHEMBL494 40138 DB01088 Iloprost BE0000487 PDE4B Q07343 PDE4B_HUMAN inducer 11551870; 12441759; 12952271; 2461561 "Wilkens H, Guth A, Konig J, Forestier N, Cremers B, Hennen B, Bohm M, Sybrecht GW: Effect of inhaled iloprost plus oral sildenafil in patients with primary pulmonary hypertension. Circulation. 2001 Sep 11;104(11):1218-22.@@Ghofrani HA, Rose F, Schermuly RT, Olschewski H, Wiedemann R, Weissmann N, Schudt C, Tenor H, Seeger W, Grimminger F: Amplification of the pulmonary vasodilatory response to inhaled iloprost by subthreshold phosphodiesterase types 3 and 4 inhibition in severe pulmonary hypertension. Crit Care Med. 2002 Nov;30(11):2489-92.@@Schermuly RT, Leuchte H, Ghofrani HA, Weissmann N, Rose F, Kohstall M, Olschewski H, Schudt C, Grimminger F, Seeger W, Walmrath D: Zardaverine and aerosolised iloprost in a model of acute respiratory failure. Eur Respir J. 2003 Aug;22(2):342-7.@@Grant PG, Mannarino AF, Colman RW: cAMP-mediated phosphorylation of the low-Km cAMP phosphodiesterase markedly stimulates its catalytic activity. Proc Natl Acad Sci U S A. 1988 Dec;85(23):9071-5." Approved; Investigational Prostaglandins and related compounds Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids "Inflammation Mediators; Eicosanoids; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; Fatty Acids; Antiplatelet agents; Prostacyclin Analogues; Agents Causing Muscle Toxicity; Biological Factors; Blood and Blood Forming Organs; Vasodilating Agents; Lipids; OATP2B1/SLCO2B1 substrates; Prostaglandins, Synthetic; Prostaglandins; Autacoids; Hematologic Agents; Fatty Acids, Unsaturated" [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O 46507818 PA164746843 DAP000273 Iloprost CHEMBL494 40138 DB01088 Iloprost BE0001287 PDE4D Q08499 PDE4D_HUMAN inducer 11551870; 12441759; 12952271; 2461561 "Wilkens H, Guth A, Konig J, Forestier N, Cremers B, Hennen B, Bohm M, Sybrecht GW: Effect of inhaled iloprost plus oral sildenafil in patients with primary pulmonary hypertension. Circulation. 2001 Sep 11;104(11):1218-22.@@Ghofrani HA, Rose F, Schermuly RT, Olschewski H, Wiedemann R, Weissmann N, Schudt C, Tenor H, Seeger W, Grimminger F: Amplification of the pulmonary vasodilatory response to inhaled iloprost by subthreshold phosphodiesterase types 3 and 4 inhibition in severe pulmonary hypertension. Crit Care Med. 2002 Nov;30(11):2489-92.@@Schermuly RT, Leuchte H, Ghofrani HA, Weissmann N, Rose F, Kohstall M, Olschewski H, Schudt C, Grimminger F, Seeger W, Walmrath D: Zardaverine and aerosolised iloprost in a model of acute respiratory failure. Eur Respir J. 2003 Aug;22(2):342-7.@@Grant PG, Mannarino AF, Colman RW: cAMP-mediated phosphorylation of the low-Km cAMP phosphodiesterase markedly stimulates its catalytic activity. Proc Natl Acad Sci U S A. 1988 Dec;85(23):9071-5." Approved; Investigational Prostaglandins and related compounds Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids "Inflammation Mediators; Eicosanoids; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; Fatty Acids; Antiplatelet agents; Prostacyclin Analogues; Agents Causing Muscle Toxicity; Biological Factors; Blood and Blood Forming Organs; Vasodilating Agents; Lipids; OATP2B1/SLCO2B1 substrates; Prostaglandins, Synthetic; Prostaglandins; Autacoids; Hematologic Agents; Fatty Acids, Unsaturated" [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O 46507818 PA164746843 DAP000273 Iloprost CHEMBL494 40138 DB01088 Iloprost BE0001088 PLAT P00750 TPA_HUMAN other/unknown 1370924; 1689620; 1717784; 1726988; 17510465 "Kerins DM, Roy L, Kunitada S, Adedoyin A, FitzGerald GA, Fitzgerald DJ: Pharmacokinetics of tissue-type plasminogen activator during acute myocardial infarction in men. Effect of a prostacyclin analogue. Circulation. 1992 Feb;85(2):526-32.@@Nicolini FA, Mehta JL, Nichols WW, Saldeen TG, Grant M: Prostacyclin analogue iloprost decreases thrombolytic potential of tissue-type plasminogen activator in canine coronary thrombosis. Circulation. 1990 Mar;81(3):1115-22.@@Nichols WW, Nicolini FA, Saldeen TG, Mehta JL: Combined thrombolytic effects of tissue-plasminogen activator and a fibrinogen-degradation product peptide 6A or iloprost. J Cardiovasc Pharmacol. 1991 Aug;18(2):231-6.@@Nizankowski R, Krzanowski M, Musial J, Szczeklik A: [Effect of thromboxane A2 synthetase inhibitor and prostacyclin analogue on arterial blood pressure, fibrinolysis and platelet function in patients with hypertension]. Pol Tyg Lek. 1991 Jan 7-14;46(1-3):18-21.@@Herczenik E, Bouma B, Korporaal SJ, Strangi R, Zeng Q, Gros P, Van Eck M, Van Berkel TJ, Gebbink MF, Akkerman JW: Activation of human platelets by misfolded proteins. Arterioscler Thromb Vasc Biol. 2007 Jul;27(7):1657-65. Epub 2007 May 17." Approved; Investigational Prostaglandins and related compounds Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids "Inflammation Mediators; Eicosanoids; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; Fatty Acids; Antiplatelet agents; Prostacyclin Analogues; Agents Causing Muscle Toxicity; Biological Factors; Blood and Blood Forming Organs; Vasodilating Agents; Lipids; OATP2B1/SLCO2B1 substrates; Prostaglandins, Synthetic; Prostaglandins; Autacoids; Hematologic Agents; Fatty Acids, Unsaturated" [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O 46507818 PA164746843 DAP000273 Iloprost CHEMBL494 40138 DB01090 Pentolinium BE0003585 CHRNA3 P32297 ACHA3_HUMAN antagonist 7761270 "Cachelin AB, Rust G: Beta-subunits co-determine the sensitivity of rat neuronal nicotinic receptors to antagonists. Pflugers Arch. 1995 Jan;429(3):449-51." Approved N-alkylpyrrolidines Organic compounds; Organoheterocyclic compounds; Pyrrolidines; N-alkylpyrrolidines Anticholinergic Agents; Cardiovascular Agents; Pyrrolidines; Nicotinic Antagonists; Antihypertensive Agents; Neurotransmitter Agents; Ganglion Blockers; Cholinergic Agents; Peripheral Nervous System Agents; Autonomic Agents C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1 46507977 PA164777033 DAP001144 Pentolinium CHEMBL1271 DB01091 Butenafine BE0000577 SQLE Q14534 ERG1_HUMAN inhibitor 12499173; 16079485; 18624686; 17642865; 8494375; 11752352 "Mukherjee PK, Leidich SD, Isham N, Leitner I, Ryder NS, Ghannoum MA: Clinical Trichophyton rubrum strain exhibiting primary resistance to terbinafine. Antimicrob Agents Chemother. 2003 Jan;47(1):82-6.@@Gao PH, Cao YB, Xu Z, Zhang JD, Zhang WN, Wang Y, Gu J, Cao YY, Li RY, Jia XM, Jiang YY: In vitro antifungal activity of ZJ-522, a new triazole restructured from fluconazole and butenafine, against clinically important fungi in comparison with fluconazole and butenafine. Biol Pharm Bull. 2005 Aug;28(8):1414-7.@@Singal A: Butenafine and superficial mycoses: current status. Expert Opin Drug Metab Toxicol. 2008 Jul;4(7):999-1005. doi: 10.1517/17425255.4.7.999 .@@Ramam M, Prasad HR, Manchanda Y, Khaitan BK, Banerjee U, Mukhopadhyaya A, Shetty R, Gogtay JA: Randomised controlled trial of topical butenafine in tinea cruris and tinea corporis. Indian J Dermatol Venereol Leprol. 2003 Mar-Apr;69(2):154-8.@@Iwatani W, Arika T, Yamaguchi H: Two mechanisms of butenafine action in Candida albicans. Antimicrob Agents Chemother. 1993 Apr;37(4):785-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Naphthalenes Organic compounds; Benzenoids; Naphthalenes Benzylamine Antifungal; Benzylamines; Anti-Infective Agents; Amines; Antifungals for Topical Use; Antifungal Agents; Benzyl Compounds; Antifungals for Dermatological Use; Dermatologicals; Benzene Derivatives CN(CC1=CC=C(C=C1)C(C)(C)C)CC1=CC=CC2=CC=CC=C12 11423 46506191 D07596 PA164745478 DAP001236 Butenafine CHEMBL990 47461 DB01092 Ouabain BE0000732 ATP1A1 P05023 AT1A1_HUMAN inhibitor 10541475; 10564763; 10567200; 10593655; 10593659; 11752352 "Mentre P, Debey P: An unexpected effect of an ouabain-sensitive ATPase activity on the amount of antigen-antibody complexes formed in situ. Cell Mol Biol (Noisy-le-grand). 1999 Sep;45(6):781-91.@@Qazzaz HM, El-Masri MA, Stolowich NJ, Valdes R Jr: Two biologically active isomers of dihydroouabain isolated from a commercial preparation. Biochim Biophys Acta. 1999 Nov 16;1472(3):486-97.@@Tao QF, Hollenberg NK, Graves SW: Sodium pump inhibition and regional expression of sodium pump alpha-isoforms in lens. Hypertension. 1999 Nov;34(5):1168-74.@@Hawke TJ, Willmets RG, Lindinger MI: K+ transport in resting rat hind-limb skeletal muscle in response to paraxanthine, a caffeine metabolite. Can J Physiol Pharmacol. 1999 Nov;77(11):835-43.@@Almotrefi AA, Basco C, Moorji A, Dzimiri N: Class I antiarrhythmic drug effects on ouabain binding to guinea pig cardiac Na+ -K+ ATPase. Can J Physiol Pharmacol. 1999 Nov;77(11):866-70.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Cardenolide glycosides and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones "OATP1B1/SLCO1B1 Inhibitors; Glycosides; Enzyme Inhibitors; Carbohydrates; Protective Agents; OATP1B1/SLCO1B1 Substrates; Cardiac Glycosides; Cardiovascular Agents; Strophanthus Glycosides; Steroids; Cardiotonic Agents; Fused-Ring Compounds; Cardanolides; Strophanthins; Cardenolides; Compounds used in a research, industrial, or household setting; OAT3/SLC22A8 Inhibitors; Cardiac Therapy; OATP1B3 substrates" [H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O 46505479 D00112 PA163522138 DAP000465 Ouabain CHEMBL222863 7762 DB01093 Dimethyl sulfoxide BE0002439 MUC16 Q8WXI7 MUC16_HUMAN downregulator 3167862 "Langdon SP, Hawkes MM, Hay FG, Lawrie SS, Schol DJ, Hilgers J, Leonard RC, Smyth JF: Effect of sodium butyrate and other differentiation inducers on poorly differentiated human ovarian adenocarcinoma cell lines. Cancer Res. 1988 Nov 1;48(21):6161-5." Approved; Vet_approved Sulfoxides Organic compounds; Organosulfur compounds; Sulfoxides "Cryoprotective Agents; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Topical Products for Joint and Muscular Pain; Protective Agents; Miscellaneous Therapeutic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Free Radical Scavengers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Sulfoxides; Musculo-Skeletal System; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Urologicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Solvents" CS(C)=O 9745 46505009 D01043 PA449342 Dimethyl_sulfoxide CHEMBL504 3455 DB01094 Hesperetin BE0000232 MTTP P55157 MTP_HUMAN antagonist 11352979 "Wilcox LJ, Borradaile NM, de Dreu LE, Huff MW: Secretion of hepatocyte apoB is inhibited by the flavonoids, naringenin and hesperetin, via reduced activity and expression of ACAT2 and MTP. J Lipid Res. 2001 May;42(5):725-34." Experimental 4'-O-methylated flavonoids Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids "Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Glycosides; Carbohydrates; Flavanones; Cytochrome P-450 CYP1A2 Substrates; Pyrans; Flavonoids" COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1 46507998 PA164742902 DAP001306 Hesperetin CHEMBL399121 1314255 DB01094 Hesperetin BE0000105 SOAT1 P35610 SOAT1_HUMAN inhibitor 11352979; 15114505 "Wilcox LJ, Borradaile NM, de Dreu LE, Huff MW: Secretion of hepatocyte apoB is inhibited by the flavonoids, naringenin and hesperetin, via reduced activity and expression of ACAT2 and MTP. J Lipid Res. 2001 May;42(5):725-34.@@Chung MY, Rho MC, Ko JS, Ryu SY, Jeune KH, Kim K, Lee HS, Kim YK: In vitro inhibition of diacylglycerol acyltransferase by prenylflavonoids from Sophora flavescens. Planta Med. 2004 Mar;70(3):258-60." Experimental 4'-O-methylated flavonoids Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids "Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Glycosides; Carbohydrates; Flavanones; Cytochrome P-450 CYP1A2 Substrates; Pyrans; Flavonoids" COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1 46507998 PA164742902 DAP001306 Hesperetin CHEMBL399121 1314255 DB01094 Hesperetin BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Experimental 4'-O-methylated flavonoids Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids "Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Glycosides; Carbohydrates; Flavanones; Cytochrome P-450 CYP1A2 Substrates; Pyrans; Flavonoids" COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1 46507998 PA164742902 DAP001306 Hesperetin CHEMBL399121 1314255 DB01095 Fluvastatin BE0000574 HMGCR P04035 HMDH_HUMAN inhibitor 11752352; 19249983; 10592235 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Podar K, Tai YT, Hideshima T, Vallet S, Richardson PG, Anderson KC: Emerging therapies for multiple myeloma. Expert Opin Emerg Drugs. 2009 Mar;14(1):99-127. doi: 10.1517/14728210802676278 .@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Indoles; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Fatty Acids; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Lipid Modifying Agents, Plain; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Heptanoic Acids; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors" CC(C)N1C(\C=C\C(O)CC(O)CC(O)=O)=C(C2=CC=CC=C12)C1=CC=C(F)C=C1 Fluvastatin Action Pathway drug_action 11388 46505668 D07983 PA449688 DAP000554 Fluvastatin CHEMBL2220442 41127 DB01095 Fluvastatin BE0002366 HDAC2 Q92769 HDAC2_HUMAN inhibitor 18381445 "Lin YC, Lin JH, Chou CW, Chang YF, Yeh SH, Chen CC: Statins increase p21 through inhibition of histone deacetylase activity and release of promoter-associated HDAC1/2. Cancer Res. 2008 Apr 1;68(7):2375-83. doi: 10.1158/0008-5472.CAN-07-5807." Approved "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Indoles; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Fatty Acids; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Lipid Modifying Agents, Plain; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Heptanoic Acids; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors" CC(C)N1C(\C=C\C(O)CC(O)CC(O)=O)=C(C2=CC=CC=C12)C1=CC=C(F)C=C1 Fluvastatin Action Pathway drug_action 11388 46505668 D07983 PA449688 DAP000554 Fluvastatin CHEMBL2220442 41127 DB01097 Leflunomide BE0003721 AHR P35869 AHR_HUMAN agonist 20957046; 17327465 "O'Donnell EF, Saili KS, Koch DC, Kopparapu PR, Farrer D, Bisson WH, Mathew LK, Sengupta S, Kerkvliet NI, Tanguay RL, Kolluri SK: The anti-inflammatory drug leflunomide is an agonist of the aryl hydrocarbon receptor. PLoS One. 2010 Oct 1;5(10). pii: e13128. doi: 10.1371/journal.pone.0013128.@@Hu W, Sorrentino C, Denison MS, Kolaja K, Fielden MR: Induction of cyp1a1 is a nonspecific biomarker of aryl hydrocarbon receptor activation: results of large scale screening of pharmaceuticals and toxicants in vivo and in vitro. Mol Pharmacol. 2007 Jun;71(6):1475-86. Epub 2007 Feb 27." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Immunologic Factors; Isoxazoles; Selective Immunosuppressants; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Adjuvants; Antirheumatic Agents; Disease-modifying Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C9 Inhibitors CC1=C(C=NO1)C(=O)NC1=CC=C(C=C1)C(F)(F)F 11980 46506013 D00749 PA450192 DAP000636 Leflunomide CHEMBL960 27169 DB01097 Leflunomide BE0000871 PTK2B Q14289 FAK2_HUMAN antagonist 19149483; 17604599; 17103252 "Pytel D, Sliwinski T, Poplawski T, Ferriola D, Majsterek I: Tyrosine kinase blockers: new hope for successful cancer therapy. Anticancer Agents Med Chem. 2009 Jan;9(1):66-76.@@Fukushima R, Kanamori S, Hirashiba M, Hishikawa A, Muranaka RI, Kaneto M, Nakamura K, Kato I: Teratogenicity study of the dihydroorotate-dehydrogenase inhibitor and protein tyrosine kinase inhibitor Leflunomide in mice. Reprod Toxicol. 2007 Nov-Dec;24(3-4):310-6. Epub 2007 May 18.@@Steeghs N, Nortier JW, Gelderblom H: Small molecule tyrosine kinase inhibitors in the treatment of solid tumors: an update of recent developments. Ann Surg Oncol. 2007 Feb;14(2):942-53. Epub 2006 Nov 14." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Immunologic Factors; Isoxazoles; Selective Immunosuppressants; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Adjuvants; Antirheumatic Agents; Disease-modifying Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C9 Inhibitors CC1=C(C=NO1)C(=O)NC1=CC=C(C=C1)C(F)(F)F 11980 46506013 D00749 PA450192 DAP000636 Leflunomide CHEMBL960 27169 DB01098 Rosuvastatin BE0000574 HMGCR P04035 HMDH_HUMAN inhibitor 16128575; 12539816; 11752352; 11772327; 11501230; 12773150; 11256847; 12481202 "Carbonell T, Freire E: Binding thermodynamics of statins to HMG-CoA reductase. Biochemistry. 2005 Sep 6;44(35):11741-8.@@Chapman MJ, Caslake M, Packard C, McTaggart F: New dimension of statin action on ApoB atherogenicity. Clin Cardiol. 2003 Jan;26(1 Suppl 1):I7-10.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Davidson MH: Rosuvastatin: a highly efficacious statin for the treatment of dyslipidaemia. Expert Opin Investig Drugs. 2002 Jan;11(1):125-41.@@Hanefeld M: Clinical rationale for rosuvastatin, a potent new HMG-CoA reductase inhibitor. Int J Clin Pract. 2001 Jul-Aug;55(6):399-405.@@Holdgate GA, Ward WH, McTaggart F: Molecular mechanism for inhibition of 3-hydroxy-3-methylglutaryl CoA (HMG-CoA) reductase by rosuvastatin. Biochem Soc Trans. 2003 Jun;31(Pt 3):528-31.@@McTaggart F, Buckett L, Davidson R, Holdgate G, McCormick A, Schneck D, Smith G, Warwick M: Preclinical and clinical pharmacology of Rosuvastatin, a new 3-hydroxy-3-methylglutaryl coenzyme A reductase inhibitor. Am J Cardiol. 2001 Mar 8;87(5A):28B-32B.@@Olsson AG, McTaggart F, Raza A: Rosuvastatin: a highly effective new HMG-CoA reductase inhibitor. Cardiovasc Drug Rev. 2002 Winter;20(4):303-28." Approved Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Amides; Lipid Modifying Agents; Cytochrome P-450 CYP3A5 Inhibitors; Fluorobenzenes; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; Sulfonamides; Alimentary Tract and Metabolism; Lipid Regulating Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Hydrocarbons, Fluorinated; BSEP/ABCB11 Substrates; Drugs Used in Diabetes; Hydrocarbons, Halogenated; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Pyrimidines; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(C)(=O)=O Rosuvastatin Action Pathway drug_action 13123 46509022 D08492 PA134308647 DAP000555 Rosuvastatin CHEMBL1496 301542 DB01098 Rosuvastatin BE0000516 ITGAL P20701 ITAL_HUMAN inhibitory allosteric modulator 11385505; 15041742; 15822172 "Weitz-Schmidt G, Welzenbach K, Brinkmann V, Kamata T, Kallen J, Bruns C, Cottens S, Takada Y, Hommel U: Statins selectively inhibit leukocyte function antigen-1 by binding to a novel regulatory integrin site. Nat Med. 2001 Jun;7(6):687-92. doi: 10.1038/89058.@@Katano H, Pesnicak L, Cohen JI: Simvastatin induces apoptosis of Epstein-Barr virus (EBV)-transformed lymphoblastoid cell lines and delays development of EBV lymphomas. Proc Natl Acad Sci U S A. 2004 Apr 6;101(14):4960-5. Epub 2004 Mar 23.@@Liao JK, Laufs U: Pleiotropic effects of statins. Annu Rev Pharmacol Toxicol. 2005;45:89-118. doi: 10.1146/annurev.pharmtox.45.120403.095748." Approved Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Amides; Lipid Modifying Agents; Cytochrome P-450 CYP3A5 Inhibitors; Fluorobenzenes; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; Sulfonamides; Alimentary Tract and Metabolism; Lipid Regulating Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Hydrocarbons, Fluorinated; BSEP/ABCB11 Substrates; Drugs Used in Diabetes; Hydrocarbons, Halogenated; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Pyrimidines; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(C)(=O)=O Rosuvastatin Action Pathway drug_action 13123 46509022 D08492 PA134308647 DAP000555 Rosuvastatin CHEMBL1496 301542 DB01099 Flucytosine BE0000892 DNMT1 P26358 DNMT1_HUMAN other 17139284; 17016423; 17897676; 8441637 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Shieh FK, Reich NO: AdoMet-dependent methyl-transfer: Glu119 is essential for DNA C5-cytosine methyltransferase M.HhaI. J Mol Biol. 2007 Nov 9;373(5):1157-68. Epub 2007 Aug 19.@@Wyszynski MW, Gabbara S, Kubareva EA, Romanova EA, Oretskaya TS, Gromova ES, Shabarova ZA, Bhagwat AS: The cysteine conserved among DNA cytosine methylases is required for methyl transfer, but not for specific DNA binding. Nucleic Acids Res. 1993 Jan 25;21(2):295-301." Approved; Investigational Halopyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Fluorouracil and prodrugs; Myelosuppressive Agents; Antimetabolites; Dermatologicals; Noxae; Antiinfectives for Systemic Use; Nucleoside Analog Antifungal; Antifungal Agents; Photosensitizing Agents; Antifungals for Dermatological Use; Drugs that are Mainly Renally Excreted; Cytosine; Drugs causing inadvertant photosensitivity; Pyrimidinones; Immunosuppressive Agents; Anti-Infective Agents; Antifungals for Topical Use; Pyrimidines; Toxic Actions; Antimycotics for Systemic Use NC1=C(F)C=NC(=O)N1 46504735 D00323 PA449654 DAP001542 Flucytosine CHEMBL1463 4451 DB01100 Pimozide BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 8301582 "Freedman SB, Patel S, Marwood R, Emms F, Seabrook GR, Knowles MR, McAllister G: Expression and pharmacological characterization of the human D3 dopamine receptor. J Pharmacol Exp Ther. 1994 Jan;268(1):417-26." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Cytochrome P-450 CYP2D6 Inhibitors; Diphenylbutylpiperidine Derivatives; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Dopamine D2 Receptor Antagonists; Psycholeptics; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Agents that reduce seizure threshold; Miscellaneous Antipsychotics; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Dopamine Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Anti-Dyskinesia Agents; Benzimidazoles" FC1=CC=C(C=C1)C(CCCN1CCC(CC1)N1C(=O)NC2=CC=CC=C12)C1=CC=C(F)C=C1 7944 46507096 D00560 PA450965 DAP000316 Pimozide CHEMBL1423 8331 DB01102 Arbutamine BE0001012 ADRB3 P13945 ADRB3_HUMAN agonist 8723169 "Abou-Mohamed G, Nagarajan R, Ibrahim TM, Caldwell RW: Characterization of the adrenergic activity of arbutamine, a novel agent for pharmacological stress testing. Cardiovasc Drugs Ther. 1996 Mar;10(1):39-47." Approved Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines "Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; Amines; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Cardiotonic Agents; Adrenergic Agonists; Agents that produce hypertension; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Adrenergic beta-3 Receptor Agonists; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents" O[C@@H](CNCCCCC1=CC=C(O)C=C1)C1=CC(O)=C(O)C=C1 Arbutamine Action Pathway drug_action 46509010 D02976 PA164747979 DAP000936 Arbutamine CHEMBL1201251 61609 DB01103 Quinacrine BE0001077 PLA2G6 O60733 PLPL9_HUMAN inhibitor 10199854; 10229494; 10449625; 10653606; 11455568 "Nuttle LC, Ligon AL, Farrell KR, Hester RL: Inhibition of phospholipase A2 attenuates functional hyperemia in the hamster cremaster muscle. Am J Physiol. 1999 Apr;276(4 Pt 2):H1289-94.@@Sastry BV, Hemontolor ME, Vidaver PS, Sastry WS, Janson VE: Influence of halothane on phospholipase A2 and enzymatic methylations in the rat retinal membranes. J Ocul Pharmacol Ther. 1999 Apr;15(2):165-78.@@Lohmann CH, Sagun R Jr, Sylvia VL, Cochran DL, Dean DD, Boyan BD, Schwartz Z: Surface roughness modulates the response of MG63 osteoblast-like cells to 1,25-(OH)(2)D(3) through regulation of phospholipase A(2) activity and activation of protein kinase A. J Biomed Mater Res. 1999 Nov;47(2):139-51.@@Schwartz Z, Sylvia VL, Del Toro F, Hardin RR, Dean DD, Boyan BD: 24R,25-(OH)(2)D(3) mediates its membrane receptor-dependent effects on protein kinase C and alkaline phosphatase via phospholipase A(2) and cyclooxygenase-1 but not cyclooxygenase-2 in growth plate chondrocytes. J Cell Physiol. 2000 Mar;182(3):390-401.@@Sylvia VL, Del Toro F, Dean DD, Hardin RR, Schwartz Z, Boyan BD: Effects of 1alpha,25-(OH)(2)D(3) on rat growth zone chondrocytes are mediated via cyclooxygenase-1 and phospholipase A(2). J Cell Biochem Suppl. 2001;Suppl 36:32-45." Investigational Acridines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines "OCT2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Antinematodal Agents; Antiplatyhelmintic Agents; Anticestodal Agents; Aminoacridines; Cytochrome P-450 Substrates; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Acridines; Antiparasitic Agents; Anti-Infective Agents" CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2 46507828 D08179 PA164745551 DNC001181 Mepacrine CHEMBL7568 9061 DB01103 Quinacrine BE0000657 PLA2G4A P47712 PA24A_HUMAN inhibitor 12110374; 12582837; 9480923 "Hellstrand M, Eriksson E, Nilsson CL: Dopamine D(2) receptor-induced COX-2-mediated production of prostaglandin E(2) in D(2)-transfected Chinese hamster ovary cells without simultaneous administration of a Ca(2+)-mobilizing agent. Biochem Pharmacol. 2002 Jun 15;63(12):2151-8.@@Ong WY, Lu XR, Ong BK, Horrocks LA, Farooqui AA, Lim SK: Quinacrine abolishes increases in cytoplasmic phospholipase A2 mRNA levels in the rat hippocampus after kainate-induced neuronal injury. Exp Brain Res. 2003 Feb;148(4):521-4. Epub 2002 Dec 11.@@Kim BC, Kim JH: Exogenous C2-ceramide activates c-fos serum response element via Rac-dependent signalling pathway. Biochem J. 1998 Mar 1;330 ( Pt 2):1009-14." Investigational Acridines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines "OCT2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Antinematodal Agents; Antiplatyhelmintic Agents; Anticestodal Agents; Aminoacridines; Cytochrome P-450 Substrates; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Acridines; Antiparasitic Agents; Anti-Infective Agents" CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2 46507828 D08179 PA164745551 DNC001181 Mepacrine CHEMBL7568 9061 DB01103 Quinacrine BE0001081 PLCL1 Q15111 PLCL1_HUMAN inhibitor 11207202; 1860838; 2551803; 7573467; 8469910 "Biondi C, Pavan B, Ferretti ME, Corradini FG, Neri LM, Vesce F: Formyl-methionyl-leucyl-phenylalanine induces prostaglandin E2 release from human amnion-derived WISH cells by phospholipase C-mediated [Ca+]i rise. Biol Reprod. 2001 Mar;64(3):865-70.@@Takuwa N, Kumada M, Yamashita K, Takuwa Y: Mechanisms of bombesin-induced arachidonate mobilization in Swiss 3T3 fibroblasts. J Biol Chem. 1991 Aug 5;266(22):14237-43.@@Otamiri T: Phospholipase C-mediated intestinal mucosal damage is ameliorated by quinacrine. Food Chem Toxicol. 1989 Jun;27(6):399-402.@@Noveral JP, Grunstein MM: Tachykinin regulation of airway smooth muscle cell proliferation. Am J Physiol. 1995 Sep;269(3 Pt 1):L339-43.@@Bjoro T, Englund K, Torjesen PA, Haug E: Inhibitors of the arachidonic acid metabolism attenuate the thyroliberin (TRH) stimulated prolactin production without modifying the production of inositolphosphates in GH4C1 pituitary cells. Scand J Clin Lab Invest. 1993 Apr;53(2):111-6." Investigational Acridines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines "OCT2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Antinematodal Agents; Antiplatyhelmintic Agents; Anticestodal Agents; Aminoacridines; Cytochrome P-450 Substrates; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Acridines; Antiparasitic Agents; Anti-Infective Agents" CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2 46507828 D08179 PA164745551 DNC001181 Mepacrine CHEMBL7568 9061 DB01104 Sertraline BE0004775 SLC29A4 Q7RTT9 S29A4_HUMAN 19022290; 17046718; 20012264 "Daws LC: Unfaithful neurotransmitter transporters: focus on serotonin uptake and implications for antidepressant efficacy. Pharmacol Ther. 2009 Jan;121(1):89-99. doi: 10.1016/j.pharmthera.2008.10.004. Epub 2008 Oct 29.@@Zhou M, Engel K, Wang J: Evidence for significant contribution of a newly identified monoamine transporter (PMAT) to serotonin uptake in the human brain. Biochem Pharmacol. 2007 Jan 1;73(1):147-54. doi: 10.1016/j.bcp.2006.09.008. Epub 2006 Sep 14.@@Haenisch B, Bonisch H: Interaction of the human plasma membrane monoamine transporter (hPMAT) with antidepressants and antipsychotics. Naunyn Schmiedebergs Arch Pharmacol. 2010 Jan;381(1):33-9. doi: 10.1007/s00210-009-0479-8. Epub 2009 Dec 10." Approved Tametralines Organic compounds; Benzenoids; Tetralins; Tametralines Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Monoamine Oxidase A Substrates; Naphthalenes; Cytochrome P-450 CYP2C19 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12 11168 46505341 D02360 PA451333 DAP000051 Sertraline CHEMBL809 36437 DB01106 Levocabastine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11752352; 10631382; 8647296; 9627096; 9551716; 11915520 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Sugimoto Y, Iba Y, Ishizawa K, Suzuki G, Kamei C: Effects of levocabastine on lipid mediator release from guinea pig lung fragments. Acta Med Okayama. 1999 Dec;53(6):271-4.@@Chalon P, Vita N, Kaghad M, Guillemot M, Bonnin J, Delpech B, Le Fur G, Ferrara P, Caput D: Molecular cloning of a levocabastine-sensitive neurotensin binding site. FEBS Lett. 1996 May 20;386(2-3):91-4.@@Yamada M, Yamada M, Lombet A, Forgez P, Rostene W: Distinct functional characteristics of levocabastine sensitive rat neurotensin NT2 receptor expressed in Chinese hamster ovary cells. Life Sci. 1998;62(23):PL 375-80.@@Betancur C, Canton M, Burgos A, Labeeuw B, Gully D, Rostene W, Pelaprat D: Characterization of binding sites of a new neurotensin receptor antagonist, [3H]SR 142948A, in the rat brain. Eur J Pharmacol. 1998 Feb 5;343(1):67-77.@@Akiyoshi M, Shigeoka T, Torii S, Maki E, Enomoto S, Takahashi H, Hirano F: [Pharmacological and clinical properties of levocabastine hydrochloride (eye drop and nasal spray), a selective H1 antagonist]. Nihon Yakurigaku Zasshi. 2002 Mar;119(3):175-84." Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "Potential QTc-Prolonging Agents; Anti-Allergic Agents; Antiallergic Agents, Excl. Corticosteroids; Decongestants and Antiallergics; Central Nervous System Depressants; Ophthalmologicals; Histamine Antagonists; QTc Prolonging Agents; Neurotransmitter Agents; Histamine H1 Antagonists; Histamine H1 Antagonists, Non-Sedating; Histamine Agents; Nasal Preparations; Sensory Organs" C[C@@H]1CN(CC[C@]1(C(O)=O)C1=CC=CC=C1)[C@H]1CC[C@](CC1)(C#N)C1=CC=C(F)C=C1 Levocabastine H1-Antihistamine Action drug_action 923 46505909 D01717 PA164742988 DAP000335 Levocabastine CHEMBL1615438 28627 DB01107 Methyprylon BE0000795 GABRA1 P14867 GBRA1_HUMAN agonist 17139284; 17016423; 1352660; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@de Fiebre CM, Marley RJ, Miner LL, de Fiebre NE, Wehner JM, Collins AC: Classical genetic analyses of responses to sedative-hypnotic drugs in crosses derived from long-sleep and short-sleep mice. Alcohol Clin Exp Res. 1992 Jun;16(3):511-21.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Illicit; Withdrawn Piperidinediones Organic compounds; Organoheterocyclic compounds; Piperidines; Piperidinones Piperidines; Piperidinedione Derivatives; Hypnotics and Sedatives; Central Nervous System Depressants; Nervous System; Psycholeptics CCC1(CC)C(=O)NCC(C)C1=O 46506891 D01150 PA164746748 DAP000683 Methyprylon CHEMBL1200790 6910 DB01108 Trilostane BE0000123 ESR1 P03372 ESR1_HUMAN allosteric modulator 17109615; 12209583; 16806905 "Puddefoot JR, Barker S, Vinson GP: Trilostane in advanced breast cancer. Expert Opin Pharmacother. 2006 Dec;7(17):2413-9.@@Puddefoot JR, Barker S, Glover HR, Malouitre SD, Vinson GP: Non-competitive steroid inhibition of oestrogen receptor functions. Int J Cancer. 2002 Sep 1;101(1):17-22.@@Barker S, Malouitre SD, Glover HR, Puddefoot JR, Vinson GP: Comparison of effects of 4-hydroxy tamoxifen and trilostane on oestrogen-regulated gene expression in MCF-7 cells: up-regulation of oestrogen receptor beta. J Steroid Biochem Mol Biol. 2006 Aug;100(4-5):141-51. Epub 2006 Jun 27." Approved; Investigational; Vet_approved; Withdrawn Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Enzyme Inhibitors; Antiadrenal Preparations; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Abortifacient Agents; Steroids; Antineoplastic Agents; Hormones; Abortifacient Agents, Steroidal; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Anticorticosteroids; Androstanols; Androstanes; Immunosuppressive Agents; Corticosteroids; Gonadal Steroid Hormones; Narrow Therapeutic Index Drugs; Oxidative Phosphorylation Coupling Factors; Testosterone Congeners; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]23O[C@@H]2C(O)=C(C[C@]13C)C#N 7334 46507062 D01180 PA164748507 DAP000148 Trilostane CHEMBL1200907 38668 DB01108 Trilostane BE0000792 ESR2 Q92731 ESR2_HUMAN allosteric modulator 17109615; 12209583; 16806905 "Puddefoot JR, Barker S, Vinson GP: Trilostane in advanced breast cancer. Expert Opin Pharmacother. 2006 Dec;7(17):2413-9.@@Puddefoot JR, Barker S, Glover HR, Malouitre SD, Vinson GP: Non-competitive steroid inhibition of oestrogen receptor functions. Int J Cancer. 2002 Sep 1;101(1):17-22.@@Barker S, Malouitre SD, Glover HR, Puddefoot JR, Vinson GP: Comparison of effects of 4-hydroxy tamoxifen and trilostane on oestrogen-regulated gene expression in MCF-7 cells: up-regulation of oestrogen receptor beta. J Steroid Biochem Mol Biol. 2006 Aug;100(4-5):141-51. Epub 2006 Jun 27." Approved; Investigational; Vet_approved; Withdrawn Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Enzyme Inhibitors; Antiadrenal Preparations; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Abortifacient Agents; Steroids; Antineoplastic Agents; Hormones; Abortifacient Agents, Steroidal; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Anticorticosteroids; Androstanols; Androstanes; Immunosuppressive Agents; Corticosteroids; Gonadal Steroid Hormones; Narrow Therapeutic Index Drugs; Oxidative Phosphorylation Coupling Factors; Testosterone Congeners; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]23O[C@@H]2C(O)=C(C[C@]13C)C#N 7334 46507062 D01180 PA164748507 DAP000148 Trilostane CHEMBL1200907 38668 DB01109 Heparin BE0000216 F10 P00742 FA10_HUMAN inhibitor 17118432; 17004727; 11369259; 3155697 "Ignjatovic V, Summerhayes R, Gan A, Than J, Chan A, Cochrane A, Bennett M, Horton S, Shann F, Lane G, Ross-Smith M, Monagle P: Monitoring Unfractionated Heparin (UFH) therapy: which Anti-Factor Xa assay is appropriate? Thromb Res. 2007;120(3):347-51. Epub 2006 Nov 21.@@Patey SJ, Edwards EA, Yates EA, Turnbull JE: Heparin derivatives as inhibitors of BACE-1, the Alzheimer's beta-secretase, with reduced activity against factor Xa and other proteases. J Med Chem. 2006 Oct 5;49(20):6129-32.@@Rezaie AR: Heparin-binding exosite of factor Xa. Trends Cardiovasc Med. 2000 Nov;10(8):333-8.@@Rosenberg RD: Role of heparin and heparinlike molecules in thrombosis and atherosclerosis. Fed Proc. 1985 Feb;44(2):404-9." Approved; Investigational Carbohydrates; Heparins or Heparinoids for Topical Use; Anticoagulants; Cardiovascular Agents; Miscellaneous Therapeutic Agents; Agents causing hyperkalemia; Thyroxine-binding globulin substrates; Blood and Blood Forming Organs; Heparin and similars; Glycosaminoglycans; Heparin Group; Ophthalmologicals; Polysaccharides; Hematologic Agents; Antivaricose Therapy; Narrow Therapeutic Index Drugs; Fibrin Modulating Agents; Sensory Organs; Vasoprotectives Fc Epsilon Receptor I Signaling in Mast Cells; Heparin Action Pathway signaling; drug_action 9045 46507594 PA449855 DAP000189 Heparin CHEMBL1909300 5224 DB01109 Heparin BE0001159 SELP P16109 LYAM3_HUMAN inhibitor 17458940; 17549299; 17629851; 17651117; 15995351; 9466983; 7694675 "Simonis D, Fritzsche J, Alban S, Bendas G: Kinetic analysis of heparin and glucan sulfates binding to P-selectin and its impact on the general understanding of selectin inhibition. Biochemistry. 2007 May 22;46(20):6156-64. Epub 2007 Apr 26.@@Maugeri N, Di Fabio G, Barbanti M, de Gaetano G, Donati MB, Cerletti C: Parnaparin, a low-molecular-weight heparin, prevents P-selectin-dependent formation of platelet-leukocyte aggregates in human whole blood. Thromb Haemost. 2007 Jun;97(6):965-73.@@Simonis D, Christ K, Alban S, Bendas G: Affinity and kinetics of different heparins binding to P- and L-selectin. Semin Thromb Hemost. 2007 Jul;33(5):534-9.@@Asberg AE, Videm V: Inhibition of platelet receptors involved in neutrophil-platelet interaction in model cardiopulmonary bypass. Artif Organs. 2007 Aug;31(8):617-26.@@Gao Y, Li N, Fei R, Chen Z, Zheng S, Zeng X: P-Selectin-mediated acute inflammation can be blocked by chemically modified heparin, RO-heparin. Mol Cells. 2005 Jun 30;19(3):350-5.@@Koenig A, Norgard-Sumnicht K, Linhardt R, Varki A: Differential interactions of heparin and heparan sulfate glycosaminoglycans with the selectins. Implications for the use of unfractionated and low molecular weight heparins as therapeutic agents. J Clin Invest. 1998 Feb 15;101(4):877-89.@@Nelson RM, Cecconi O, Roberts WG, Aruffo A, Linhardt RJ, Bevilacqua MP: Heparin oligosaccharides bind L- and P-selectin and inhibit acute inflammation. Blood. 1993 Dec 1;82(11):3253-8." Approved; Investigational Carbohydrates; Heparins or Heparinoids for Topical Use; Anticoagulants; Cardiovascular Agents; Miscellaneous Therapeutic Agents; Agents causing hyperkalemia; Thyroxine-binding globulin substrates; Blood and Blood Forming Organs; Heparin and similars; Glycosaminoglycans; Heparin Group; Ophthalmologicals; Polysaccharides; Hematologic Agents; Antivaricose Therapy; Narrow Therapeutic Index Drugs; Fibrin Modulating Agents; Sensory Organs; Vasoprotectives Fc Epsilon Receptor I Signaling in Mast Cells; Heparin Action Pathway signaling; drug_action 9045 46507594 PA449855 DAP000189 Heparin CHEMBL1909300 5224 DB01109 Heparin BE0001203 FGFR4 P22455 FGFR4_HUMAN 11278860 "Loo BM, Kreuger J, Jalkanen M, Lindahl U, Salmivirta M: Binding of heparin/heparan sulfate to fibroblast growth factor receptor 4. J Biol Chem. 2001 May 18;276(20):16868-76. Epub 2001 Feb 21." Approved; Investigational Carbohydrates; Heparins or Heparinoids for Topical Use; Anticoagulants; Cardiovascular Agents; Miscellaneous Therapeutic Agents; Agents causing hyperkalemia; Thyroxine-binding globulin substrates; Blood and Blood Forming Organs; Heparin and similars; Glycosaminoglycans; Heparin Group; Ophthalmologicals; Polysaccharides; Hematologic Agents; Antivaricose Therapy; Narrow Therapeutic Index Drugs; Fibrin Modulating Agents; Sensory Organs; Vasoprotectives Fc Epsilon Receptor I Signaling in Mast Cells; Heparin Action Pathway signaling; drug_action 9045 46507594 PA449855 DAP000189 Heparin CHEMBL1909300 5224 DB01109 Heparin BE0002131 FGFR1 P11362 FGFR1_HUMAN 15096041 "Ibrahimi OA, Zhang F, Hrstka SC, Mohammadi M, Linhardt RJ: Kinetic model for FGF, FGFR, and proteoglycan signal transduction complex assembly. Biochemistry. 2004 Apr 27;43(16):4724-30." Approved; Investigational Carbohydrates; Heparins or Heparinoids for Topical Use; Anticoagulants; Cardiovascular Agents; Miscellaneous Therapeutic Agents; Agents causing hyperkalemia; Thyroxine-binding globulin substrates; Blood and Blood Forming Organs; Heparin and similars; Glycosaminoglycans; Heparin Group; Ophthalmologicals; Polysaccharides; Hematologic Agents; Antivaricose Therapy; Narrow Therapeutic Index Drugs; Fibrin Modulating Agents; Sensory Organs; Vasoprotectives Fc Epsilon Receptor I Signaling in Mast Cells; Heparin Action Pathway signaling; drug_action 9045 46507594 PA449855 DAP000189 Heparin CHEMBL1909300 5224 DB01109 Heparin BE0000689 FGF1 P05230 FGF1_HUMAN 16219767 "Robinson CJ, Harmer NJ, Goodger SJ, Blundell TL, Gallagher JT: Cooperative dimerization of fibroblast growth factor 1 (FGF1) upon a single heparin saccharide may drive the formation of 2:2:1 FGF1.FGFR2c.heparin ternary complexes. J Biol Chem. 2005 Dec 23;280(51):42274-82. Epub 2005 Oct 11." Approved; Investigational Carbohydrates; Heparins or Heparinoids for Topical Use; Anticoagulants; Cardiovascular Agents; Miscellaneous Therapeutic Agents; Agents causing hyperkalemia; Thyroxine-binding globulin substrates; Blood and Blood Forming Organs; Heparin and similars; Glycosaminoglycans; Heparin Group; Ophthalmologicals; Polysaccharides; Hematologic Agents; Antivaricose Therapy; Narrow Therapeutic Index Drugs; Fibrin Modulating Agents; Sensory Organs; Vasoprotectives Fc Epsilon Receptor I Signaling in Mast Cells; Heparin Action Pathway signaling; drug_action 9045 46507594 PA449855 DAP000189 Heparin CHEMBL1909300 5224 DB01109 Heparin BE0000748 FGFR2 P21802 FGFR2_HUMAN 16219767 "Robinson CJ, Harmer NJ, Goodger SJ, Blundell TL, Gallagher JT: Cooperative dimerization of fibroblast growth factor 1 (FGF1) upon a single heparin saccharide may drive the formation of 2:2:1 FGF1.FGFR2c.heparin ternary complexes. J Biol Chem. 2005 Dec 23;280(51):42274-82. Epub 2005 Oct 11." Approved; Investigational Carbohydrates; Heparins or Heparinoids for Topical Use; Anticoagulants; Cardiovascular Agents; Miscellaneous Therapeutic Agents; Agents causing hyperkalemia; Thyroxine-binding globulin substrates; Blood and Blood Forming Organs; Heparin and similars; Glycosaminoglycans; Heparin Group; Ophthalmologicals; Polysaccharides; Hematologic Agents; Antivaricose Therapy; Narrow Therapeutic Index Drugs; Fibrin Modulating Agents; Sensory Organs; Vasoprotectives Fc Epsilon Receptor I Signaling in Mast Cells; Heparin Action Pathway signaling; drug_action 9045 46507594 PA449855 DAP000189 Heparin CHEMBL1909300 5224 DB01109 Heparin BE0001015 FGF2 P09038 FGF2_HUMAN 17524524 "Rose K, Kriha D, Pallast S, Junker V, Klumpp S, Krieglstein J: Basic fibroblast growth factor: lysine 134 is essential for its neuroprotective activity. Neurochem Int. 2007 Jul;51(1):25-31. Epub 2007 Apr 19." Approved; Investigational Carbohydrates; Heparins or Heparinoids for Topical Use; Anticoagulants; Cardiovascular Agents; Miscellaneous Therapeutic Agents; Agents causing hyperkalemia; Thyroxine-binding globulin substrates; Blood and Blood Forming Organs; Heparin and similars; Glycosaminoglycans; Heparin Group; Ophthalmologicals; Polysaccharides; Hematologic Agents; Antivaricose Therapy; Narrow Therapeutic Index Drugs; Fibrin Modulating Agents; Sensory Organs; Vasoprotectives Fc Epsilon Receptor I Signaling in Mast Cells; Heparin Action Pathway signaling; drug_action 9045 46507594 PA449855 DAP000189 Heparin CHEMBL1909300 5224 DB01110 Miconazole BE0000005 NOS2 P35228 NOS2_HUMAN inhibitor 7683652; 7518297; 9873034; 7536941 "Wolff DJ, Datto GA, Samatovicz RA: The dual mode of inhibition of calmodulin-dependent nitric-oxide synthase by antifungal imidazole agents. J Biol Chem. 1993 May 5;268(13):9430-6.@@Bogle RG, Whitley GS, Soo SC, Johnstone AP, Vallance P: Effect of anti-fungal imidazoles on mRNA levels and enzyme activity of inducible nitric oxide synthase. Br J Pharmacol. 1994 Apr;111(4):1257-61.@@Sennequier N, Wolan D, Stuehr DJ: Antifungal imidazoles block assembly of inducible NO synthase into an active dimer. J Biol Chem. 1999 Jan 8;274(2):930-8.@@Dudek RR, Conforto A, Pinto V, Wildhirt S, Suzuki H: Inhibition of endothelial nitric oxide synthase by cytochrome P-450 reductase inhibitors. Proc Soc Exp Biol Med. 1995 May;209(1):60-4." Approved; Investigational; Vet_approved Benzylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers "Imidazole Derivatives; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A4 Inhibitors (moderate); Dermatologicals; Hormone Antagonists; Cytochrome P-450 CYP2C8 Inhibitors; Antifungal Agents; 14-alpha Demethylase Inhibitors; Antiinfectives and Antiseptics for Local Oral Treatment; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Imidazoles; Antifungals for Dermatological Use; Genito Urinary System and Sex Hormones; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Imidazole and Triazole Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Stomatological Preparations; Cytochrome P-450 CYP3A4 Inhibitors; Otologicals; P-glycoprotein inhibitors; Intestinal Antiinfectives; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors (strong); Antifungal Agents (Vaginal); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Steroid Synthesis Inhibitors; Vaginal Creams, Foams, and Jellies; Cytochrome P-450 CYP2E1 Inhibitors; Anti-Infective Agents; Antifungals for Topical Use; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Gynecological Antiinfectives and Antiseptics; Chemically-Induced Disorders; Sensory Organs; Hormones, Hormone Substitutes, and Hormone Antagonists" ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 11249 46506017 D00882 PA450494 DAP000154 Miconazole CHEMBL91 6932 DB01110 Miconazole BE0004906 KCNMA1 Q9UGI6 KCNN3_HUMAN inhibitor 8760033; 1376313 "Hatton CJ, Peers C: Effects of cytochrome P-450 inhibitors on ionic currents in isolated rat type I carotid body cells. Am J Physiol. 1996 Jul;271(1 Pt 1):C85-92.@@Alvarez J, Montero M, Garcia-Sancho J: High affinity inhibition of Ca(2+)-dependent K+ channels by cytochrome P-450 inhibitors. J Biol Chem. 1992 Jun 15;267(17):11789-93." Approved; Investigational; Vet_approved Benzylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers "Imidazole Derivatives; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A4 Inhibitors (moderate); Dermatologicals; Hormone Antagonists; Cytochrome P-450 CYP2C8 Inhibitors; Antifungal Agents; 14-alpha Demethylase Inhibitors; Antiinfectives and Antiseptics for Local Oral Treatment; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Imidazoles; Antifungals for Dermatological Use; Genito Urinary System and Sex Hormones; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Imidazole and Triazole Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Stomatological Preparations; Cytochrome P-450 CYP3A4 Inhibitors; Otologicals; P-glycoprotein inhibitors; Intestinal Antiinfectives; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors (strong); Antifungal Agents (Vaginal); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Steroid Synthesis Inhibitors; Vaginal Creams, Foams, and Jellies; Cytochrome P-450 CYP2E1 Inhibitors; Anti-Infective Agents; Antifungals for Topical Use; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Gynecological Antiinfectives and Antiseptics; Chemically-Induced Disorders; Sensory Organs; Hormones, Hormone Substitutes, and Hormone Antagonists" ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 11249 46506017 D00882 PA450494 DAP000154 Miconazole CHEMBL91 6932 DB01110 Miconazole BE0009847 KCNA1 Q13303 KCAB2_HUMAN inhibitor 8760033; 15778703; 22975497 "Hatton CJ, Peers C: Effects of cytochrome P-450 inhibitors on ionic currents in isolated rat type I carotid body cells. Am J Physiol. 1996 Jul;271(1 Pt 1):C85-92.@@Kikuchi K, Nagatomo T, Abe H, Kawakami K, Duff HJ, Makielski JC, January CT, Nakashima Y: Blockade of HERG cardiac K+ current by antifungal drug miconazole. Br J Pharmacol. 2005 Mar;144(6):840-8.@@Sung DJ, Kim JG, Won KJ, Kim B, Shin HC, Park JY, Bae YM: Blockade of K+ and Ca2+ channels by azole antifungal agents in neonatal rat ventricular myocytes. Biol Pharm Bull. 2012;35(9):1469-75. doi: 10.1248/bpb.b12-00002." Approved; Investigational; Vet_approved Benzylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers "Imidazole Derivatives; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A4 Inhibitors (moderate); Dermatologicals; Hormone Antagonists; Cytochrome P-450 CYP2C8 Inhibitors; Antifungal Agents; 14-alpha Demethylase Inhibitors; Antiinfectives and Antiseptics for Local Oral Treatment; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Imidazoles; Antifungals for Dermatological Use; Genito Urinary System and Sex Hormones; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Imidazole and Triazole Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Stomatological Preparations; Cytochrome P-450 CYP3A4 Inhibitors; Otologicals; P-glycoprotein inhibitors; Intestinal Antiinfectives; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors (strong); Antifungal Agents (Vaginal); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Steroid Synthesis Inhibitors; Vaginal Creams, Foams, and Jellies; Cytochrome P-450 CYP2E1 Inhibitors; Anti-Infective Agents; Antifungals for Topical Use; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Gynecological Antiinfectives and Antiseptics; Chemically-Induced Disorders; Sensory Organs; Hormones, Hormone Substitutes, and Hormone Antagonists" ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 11249 46506017 D00882 PA450494 DAP000154 Miconazole CHEMBL91 6932 DB01110 Miconazole BE0009631 KCNJ12 P48050 KCNJ4_HUMAN inhibitor 22975497 "Sung DJ, Kim JG, Won KJ, Kim B, Shin HC, Park JY, Bae YM: Blockade of K+ and Ca2+ channels by azole antifungal agents in neonatal rat ventricular myocytes. Biol Pharm Bull. 2012;35(9):1469-75. doi: 10.1248/bpb.b12-00002." Approved; Investigational; Vet_approved Benzylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers "Imidazole Derivatives; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A4 Inhibitors (moderate); Dermatologicals; Hormone Antagonists; Cytochrome P-450 CYP2C8 Inhibitors; Antifungal Agents; 14-alpha Demethylase Inhibitors; Antiinfectives and Antiseptics for Local Oral Treatment; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Imidazoles; Antifungals for Dermatological Use; Genito Urinary System and Sex Hormones; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Imidazole and Triazole Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Stomatological Preparations; Cytochrome P-450 CYP3A4 Inhibitors; Otologicals; P-glycoprotein inhibitors; Intestinal Antiinfectives; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors (strong); Antifungal Agents (Vaginal); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Steroid Synthesis Inhibitors; Vaginal Creams, Foams, and Jellies; Cytochrome P-450 CYP2E1 Inhibitors; Anti-Infective Agents; Antifungals for Topical Use; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Gynecological Antiinfectives and Antiseptics; Chemically-Induced Disorders; Sensory Organs; Hormones, Hormone Substitutes, and Hormone Antagonists" ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 11249 46506017 D00882 PA450494 DAP000154 Miconazole CHEMBL91 6932 DB01110 Miconazole BE0009739 CACNA1C O00305 CACB4_HUMAN inhibitor 22975497 "Sung DJ, Kim JG, Won KJ, Kim B, Shin HC, Park JY, Bae YM: Blockade of K+ and Ca2+ channels by azole antifungal agents in neonatal rat ventricular myocytes. Biol Pharm Bull. 2012;35(9):1469-75. doi: 10.1248/bpb.b12-00002." Approved; Investigational; Vet_approved Benzylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers "Imidazole Derivatives; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A4 Inhibitors (moderate); Dermatologicals; Hormone Antagonists; Cytochrome P-450 CYP2C8 Inhibitors; Antifungal Agents; 14-alpha Demethylase Inhibitors; Antiinfectives and Antiseptics for Local Oral Treatment; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Imidazoles; Antifungals for Dermatological Use; Genito Urinary System and Sex Hormones; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Imidazole and Triazole Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Stomatological Preparations; Cytochrome P-450 CYP3A4 Inhibitors; Otologicals; P-glycoprotein inhibitors; Intestinal Antiinfectives; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors (strong); Antifungal Agents (Vaginal); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Steroid Synthesis Inhibitors; Vaginal Creams, Foams, and Jellies; Cytochrome P-450 CYP2E1 Inhibitors; Anti-Infective Agents; Antifungals for Topical Use; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Gynecological Antiinfectives and Antiseptics; Chemically-Induced Disorders; Sensory Organs; Hormones, Hormone Substitutes, and Hormone Antagonists" ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 11249 46506017 D00882 PA450494 DAP000154 Miconazole CHEMBL91 6932 DB01113 Papaverine BE0000487 PDE4B Q07343 PDE4B_HUMAN inhibitor 17139284; 17016423; 12646997; 19231363 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Xin ZC, Kim EK, Lin CS, Liu WJ, Tian L, Yuan YM, Fu J: Effects of icariin on cGMP-specific PDE5 and cAMP-specific PDE4 activities. Asian J Androl. 2003 Mar;5(1):15-8.@@Zhu S, Gan Z, Li Z, Liu Y, Yang X, Deng P, Xie Y, Yu M, Liao H, Zhao Y, Zhao L, Liao F: The measurement of cyclic nucleotide phosphodiesterase 4 activities via the quantification of inorganic phosphate with malachite green. Anal Chim Acta. 2009 Mar 16;636(1):105-10. doi: 10.1016/j.aca.2009.01.035. Epub 2009 Jan 22." Approved; Investigational Benzylisoquinolines Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines "QTc Prolonging Agents; Enzyme Inhibitors; Hypotensive Agents; Cardiovascular Agents; Urological Agents; Alkaloids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Papaverine and Derivatives; Urologicals; Isoquinolines; Genitourinary Agents; Phosphodiesterase Inhibitors; Miscellaneous Vasodilatating Agents; Benzylisoquinolines; Drugs for Functional Gastrointestinal Disorders; Moderate Risk QTc-Prolonging Agents; Opiate Alkaloids; Drugs Used in Erectile Dysfunction" COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1 2957 46508003 D07425 PA164745550 DAP000959 Papaverine CHEMBL19224 7895 DB01113 Papaverine BE0000631 PDE10A Q9Y233 PDE10_HUMAN inhibitor 19066855 "Weber M, Breier M, Ko D, Thangaraj N, Marzan DE, Swerdlow NR: Evaluating the antipsychotic profile of the preferential PDE10A inhibitor, papaverine. Psychopharmacology (Berl). 2009 May;203(4):723-35. doi: 10.1007/s00213-008-1419-x. Epub 2008 Dec 9." Approved; Investigational Benzylisoquinolines Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines "QTc Prolonging Agents; Enzyme Inhibitors; Hypotensive Agents; Cardiovascular Agents; Urological Agents; Alkaloids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Papaverine and Derivatives; Urologicals; Isoquinolines; Genitourinary Agents; Phosphodiesterase Inhibitors; Miscellaneous Vasodilatating Agents; Benzylisoquinolines; Drugs for Functional Gastrointestinal Disorders; Moderate Risk QTc-Prolonging Agents; Opiate Alkaloids; Drugs Used in Erectile Dysfunction" COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1 2957 46508003 D07425 PA164745550 DAP000959 Papaverine CHEMBL19224 7895 DB01113 Papaverine BE0009789 PDE1B O76074 PDE5A_HUMAN inhibitor 12215855 "Uckert S, Stief CG, Lietz B, Burmester M, Jonas U, Machtens SA: Possible role of bioactive peptides in the regulation of human detrusor smooth muscle - functional effects in vitro and immunohistochemical presence. World J Urol. 2002 Sep;20(4):244-9. doi: 10.1007/s00345-002-0287-y. Epub 2002 Jul 23." Approved; Investigational Benzylisoquinolines Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines "QTc Prolonging Agents; Enzyme Inhibitors; Hypotensive Agents; Cardiovascular Agents; Urological Agents; Alkaloids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Papaverine and Derivatives; Urologicals; Isoquinolines; Genitourinary Agents; Phosphodiesterase Inhibitors; Miscellaneous Vasodilatating Agents; Benzylisoquinolines; Drugs for Functional Gastrointestinal Disorders; Moderate Risk QTc-Prolonging Agents; Opiate Alkaloids; Drugs Used in Erectile Dysfunction" COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1 2957 46508003 D07425 PA164745550 DAP000959 Papaverine CHEMBL19224 7895 DB01114 Chlorpheniramine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11752352; 11736858; 8001268; 11640974; 7648771; 1686208; 1360248 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Tagawa M, Kano M, Okamura N, Higuchi M, Matsuda M, Mizuki Y, Arai H, Iwata R, Fujii T, Komemushi S, Ido T, Itoh M, Sasaki H, Watanabe T, Yanai K: Neuroimaging of histamine H1-receptor occupancy in human brain by positron emission tomography (PET): a comparative study of ebastine, a second-generation antihistamine, and (+)-chlorpheniramine, a classical antihistamine. Br J Clin Pharmacol. 2001 Nov;52(5):501-9.@@Salata JJ, Jurkiewicz NK, Wallace AA, Stupienski RF 3rd, Guinosso PJ Jr, Lynch JJ Jr: Cardiac electrophysiological actions of the histamine H1-receptor antagonists astemizole and terfenadine compared with chlorpheniramine and pyrilamine. Circ Res. 1995 Jan;76(1):110-9.@@Hasenohrl RU, Kuhlen A, Frisch C, Galosi R, Brandao ML, Huston JP: Comparison of intra-accumbens injection of histamine with histamine H1-receptor antagonist chlorpheniramine in effects on reinforcement and memory parameters. Behav Brain Res. 2001 Oct 15;124(2):203-11.@@Yasuda SU, Wellstein A, Likhari P, Barbey JT, Woosley RL: Chlorpheniramine plasma concentration and histamine H1-receptor occupancy. Clin Pharmacol Ther. 1995 Aug;58(2):210-20.@@Nicholson AN, Pascoe PA, Turner C, Ganellin CR, Greengrass PM, Casy AF, Mercer AD: Sedation and histamine H1-receptor antagonism: studies in man with the enantiomers of chlorpheniramine and dimethindene. Br J Pharmacol. 1991 Sep;104(1):270-6.@@Casy AF, Drake AF, Ganellin CR, Mercer AD, Upton C: Stereochemical studies of chiral H-1 antagonists of histamine: the resolution, chiral analysis, and biological evaluation of four antipodal pairs. Chirality. 1992;4(6):356-66. doi: 10.1002/chir.530040606." Approved Pheniramines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; OCT2 Inhibitors; QTc Prolonging Agents; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Pyridines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Propylamine Derivatives; Serotonin Modulators; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Serotonin Agents; Substituted Alkylamines; Neurotransmitter Agents; OCT1 inhibitors; Moderate Risk QTc-Prolonging Agents; Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP3A7 Substrates CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1 Chlorphenamine H1-Antihistamine Action drug_action 10259 46508253 D07398 PA448960 DAP000336 Chlorphenamine CHEMBL505 2400 DB01115 Nifedipine BE0000430 CACNA1C Q13936 CAC1C_HUMAN inhibitor 11752352; 9846638; 19029287 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Morel N, Buryi V, Feron O, Gomez JP, Christen MO, Godfraind T: The action of calcium channel blockers on recombinant L-type calcium channel alpha1-subunits. Br J Pharmacol. 1998 Nov;125(5):1005-12.@@Sinnegger-Brauns MJ, Huber IG, Koschak A, Wild C, Obermair GJ, Einzinger U, Hoda JC, Sartori SB, Striessnig J: Expression and 1,4-dihydropyridine-binding properties of brain L-type calcium channel isoforms. Mol Pharmacol. 2009 Feb;75(2):407-14. doi: 10.1124/mol.108.049981. Epub 2008 Nov 24." Approved Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; P-glycoprotein inducers; Tocolytic Agents; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Dihydropyridines; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC Nifedipine Action Pathway drug_action 1966 46505103 D00437 PA450631 DAP000529 Nifedipine CHEMBL193 7417 DB01115 Nifedipine BE0002359 CACNA1D Q01668 CAC1D_HUMAN inhibitor 11160515; 19029287 "Bell DC, Butcher AJ, Berrow NS, Page KM, Brust PF, Nesterova A, Stauderman KA, Seabrook GR, Nurnberg B, Dolphin AC: Biophysical properties, pharmacology, and modulation of human, neuronal L-type (alpha(1D), Ca(V)1.3) voltage-dependent calcium currents. J Neurophysiol. 2001 Feb;85(2):816-27.@@Sinnegger-Brauns MJ, Huber IG, Koschak A, Wild C, Obermair GJ, Einzinger U, Hoda JC, Sartori SB, Striessnig J: Expression and 1,4-dihydropyridine-binding properties of brain L-type calcium channel isoforms. Mol Pharmacol. 2009 Feb;75(2):407-14. doi: 10.1124/mol.108.049981. Epub 2008 Nov 24." Approved Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; P-glycoprotein inducers; Tocolytic Agents; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Dihydropyridines; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC Nifedipine Action Pathway drug_action 1966 46505103 D00437 PA450631 DAP000529 Nifedipine CHEMBL193 7417 DB01115 Nifedipine BE0002354 CACNB2 Q08289 CACB2_HUMAN inhibitor 11752352; 25966690 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Striessnig J, Ortner NJ, Pinggera A: Pharmacology of L-type Calcium Channels: Novel Drugs for Old Targets? Curr Mol Pharmacol. 2015;8(2):110-22." Approved Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; P-glycoprotein inducers; Tocolytic Agents; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Dihydropyridines; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC Nifedipine Action Pathway drug_action 1966 46505103 D00437 PA450631 DAP000529 Nifedipine CHEMBL193 7417 DB01115 Nifedipine BE0002355 CACNA1S Q13698 CAC1S_HUMAN inhibitor 16675661 "Peterson BZ, Catterall WA: Allosteric interactions required for high-affinity binding of dihydropyridine antagonists to Ca(V)1.1 Channels are modulated by calcium in the pore. Mol Pharmacol. 2006 Aug;70(2):667-75. Epub 2006 May 4." Approved Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; P-glycoprotein inducers; Tocolytic Agents; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Dihydropyridines; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC Nifedipine Action Pathway drug_action 1966 46505103 D00437 PA450631 DAP000529 Nifedipine CHEMBL193 7417 DB01115 Nifedipine BE0003604 KCND3 Q9UK17 KCND3_HUMAN inhibitor 18096604 "Bett GC, Rasmusson RL: Modification of K+ channel-drug interactions by ancillary subunits. J Physiol. 2008 Feb 15;586(4):929-50. Epub 2007 Dec 20." Approved Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; P-glycoprotein inducers; Tocolytic Agents; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Dihydropyridines; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC Nifedipine Action Pathway drug_action 1966 46505103 D00437 PA450631 DAP000529 Nifedipine CHEMBL193 7417 DB01115 Nifedipine BE0008716 CACNA1G Q9P0X4 CAC1I_HUMAN inhibitor 16899990; 28611661 "Lee TS, Kaku T, Takebayashi S, Uchino T, Miyamoto S, Hadama T, Perez-Reyes E, Ono K: Actions of mibefradil, efonidipine and nifedipine block of recombinant T- and L-type Ca channels with distinct inhibitory mechanisms. Pharmacology. 2006;78(1):11-20. Epub 2006 Aug 7.@@Godfraind T: Discovery and Development of Calcium Channel Blockers. Front Pharmacol. 2017 May 29;8:286. doi: 10.3389/fphar.2017.00286. eCollection 2017." Approved Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; P-glycoprotein inducers; Tocolytic Agents; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Dihydropyridines; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC Nifedipine Action Pathway drug_action 1966 46505103 D00437 PA450631 DAP000529 Nifedipine CHEMBL193 7417 DB01118 Amiodarone BE0009629 KCNH2 Q9NS40 KCNH7_HUMAN inhibitor 18505444; 14754422; 18604229 "Wang SP, Wang JA, Luo RH, Cui WY, Wang H: Potassium channel currents in rat mesenchymal stem cells and their possible roles in cell proliferation. Clin Exp Pharmacol Physiol. 2008 Sep;35(9):1077-84. doi: 10.1111/j.1440-1681.2008.04964.x. Epub 2008 May 25.@@Varro A, Biliczki P, Iost N, Virag L, Hala O, Kovacs P, Matyus P, Papp JG: Theoretical possibilities for the development of novel antiarrhythmic drugs. Curr Med Chem. 2004 Jan;11(1):1-11.@@Waldhauser KM, Brecht K, Hebeisen S, Ha HR, Konrad D, Bur D, Krahenbuhl S: Interaction with the hERG channel and cytotoxicity of amiodarone and amiodarone analogues. Br J Pharmacol. 2008 Oct;155(4):585-95. doi: 10.1038/bjp.2008.287. Epub 2008 Jul 7." Approved; Investigational Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Sodium Channel Blockers; Cytochrome P-450 CYP2A6 Inhibitors (moderate); alpha-Galactosidase, antagonists & inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Potassium Channel Blockers; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antiarrhythmics, Class III; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone Action Pathway drug_action 1400 46507387 D02910 PA448383 DAP000496 Amiodarone CHEMBL633 703 DB01118 Amiodarone BE0004872 ADRB1 P13945 ADRB3_HUMAN inhibitor 10049740; 1672592 "Drvota V, Haggblad J, Blange I, Magnusson Y, Sylven S: The effect of amiodarone on the beta-adrenergic receptor is due to a downregulation of receptor protein and not to a receptor-ligand interaction. Biochem Biophys Res Commun. 1999 Feb 16;255(2):515-20. doi: 10.1006/bbrc.1998.0138.@@Disatnik MH, Shainberg A: Regulation of beta-adrenoceptors by thyroid hormone and amiodarone in rat myocardiac cells in culture. Biochem Pharmacol. 1991 Mar 15-Apr 1;41(6-7):1039-44. doi: 10.1016/0006-2952(91)90212-n." Approved; Investigational Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Sodium Channel Blockers; Cytochrome P-450 CYP2A6 Inhibitors (moderate); alpha-Galactosidase, antagonists & inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Potassium Channel Blockers; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antiarrhythmics, Class III; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone Action Pathway drug_action 1400 46507387 D02910 PA448383 DAP000496 Amiodarone CHEMBL633 703 DB01118 Amiodarone BE0000012 CACNA1I Q9P0X4 CAC1I_HUMAN inhibitor 1281221; 20221978; 7532747 "Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28.@@Lewalter T, Pittrow D, Goette A, Kirch W, Hohnloser S: [Clinical pharmacology and electrophysiological properties of dronedarone]. Dtsch Med Wochenschr. 2010 Mar;135 Suppl 2:S43-7. doi: 10.1055/s-0030-1249208. Epub 2010 Mar 10.@@Lubic SP, Nguyen KP, Dave B, Giacomini JC: Antiarrhythmic agent amiodarone possesses calcium channel blocker properties. J Cardiovasc Pharmacol. 1994 Nov;24(5):707-14. doi: 10.1097/00005344-199424050-00004." Approved; Investigational Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Sodium Channel Blockers; Cytochrome P-450 CYP2A6 Inhibitors (moderate); alpha-Galactosidase, antagonists & inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Potassium Channel Blockers; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antiarrhythmics, Class III; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone Action Pathway drug_action 1400 46507387 D02910 PA448383 DAP000496 Amiodarone CHEMBL633 703 DB01118 Amiodarone BE0009739 CACNA1C O00305 CACB4_HUMAN inhibitor 1281221; 20221978; 7532747; 10960072 "Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28.@@Lewalter T, Pittrow D, Goette A, Kirch W, Hohnloser S: [Clinical pharmacology and electrophysiological properties of dronedarone]. Dtsch Med Wochenschr. 2010 Mar;135 Suppl 2:S43-7. doi: 10.1055/s-0030-1249208. Epub 2010 Mar 10.@@Lubic SP, Nguyen KP, Dave B, Giacomini JC: Antiarrhythmic agent amiodarone possesses calcium channel blocker properties. J Cardiovasc Pharmacol. 1994 Nov;24(5):707-14. doi: 10.1097/00005344-199424050-00004.@@Watanabe Y, Kimura J: Inhibitory effect of amiodarone on Na(+)/Ca(2+) exchange current in guinea-pig cardiac myocytes. Br J Pharmacol. 2000 Sep;131(1):80-4. doi: 10.1038/sj.bjp.0703527." Approved; Investigational Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Sodium Channel Blockers; Cytochrome P-450 CYP2A6 Inhibitors (moderate); alpha-Galactosidase, antagonists & inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Potassium Channel Blockers; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antiarrhythmics, Class III; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone Action Pathway drug_action 1400 46507387 D02910 PA448383 DAP000496 Amiodarone CHEMBL633 703 DB01118 Amiodarone BE0009811 THRA P10828 THB_HUMAN antagonist 11806713; 2910914; 23148177 "Carlsson B, Singh BN, Temciuc M, Nilsson S, Li YL, Mellin C, Malm J: Synthesis and preliminary characterization of a novel antiarrhythmic compound (KB130015) with an improved toxicity profile compared with amiodarone. J Med Chem. 2002 Jan 31;45(3):623-30.@@Norman MF, Lavin TN: Antagonism of thyroid hormone action by amiodarone in rat pituitary tumor cells. J Clin Invest. 1989 Jan;83(1):306-13. doi: 10.1172/JCI113874.@@Narayana SK, Woods DR, Boos CJ: Management of amiodarone-related thyroid problems. Ther Adv Endocrinol Metab. 2011 Jun;2(3):115-26. doi: 10.1177/2042018811398516." Approved; Investigational Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Sodium Channel Blockers; Cytochrome P-450 CYP2A6 Inhibitors (moderate); alpha-Galactosidase, antagonists & inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Potassium Channel Blockers; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antiarrhythmics, Class III; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone Action Pathway drug_action 1400 46507387 D02910 PA448383 DAP000496 Amiodarone CHEMBL633 703 DB01118 Amiodarone BE0000215 PPARG P37231 PPARG_HUMAN agonist 24489787; 21123845 "Szalowska E, van der Burg B, Man HY, Hendriksen PJ, Peijnenburg AA: Model steatogenic compounds (amiodarone, valproic acid, and tetracycline) alter lipid metabolism by different mechanisms in mouse liver slices. PLoS One. 2014 Jan 29;9(1):e86795. doi: 10.1371/journal.pone.0086795. eCollection 2014.@@Song M, Kim YJ, Ryu JC: Phospholipidosis induced by PPARgamma signaling in human bronchial epithelial (BEAS-2B) cells exposed to amiodarone. Toxicol Sci. 2011 Mar;120(1):98-108. doi: 10.1093/toxsci/kfq361. Epub 2010 Dec 1." Approved; Investigational Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Sodium Channel Blockers; Cytochrome P-450 CYP2A6 Inhibitors (moderate); alpha-Galactosidase, antagonists & inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Potassium Channel Blockers; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antiarrhythmics, Class III; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone Action Pathway drug_action 1400 46507387 D02910 PA448383 DAP000496 Amiodarone CHEMBL633 703 DB01118 Amiodarone BE0000071 PPARA Q07869 PPARA_HUMAN agonist 24489787; 15265979 "Szalowska E, van der Burg B, Man HY, Hendriksen PJ, Peijnenburg AA: Model steatogenic compounds (amiodarone, valproic acid, and tetracycline) alter lipid metabolism by different mechanisms in mouse liver slices. PLoS One. 2014 Jan 29;9(1):e86795. doi: 10.1371/journal.pone.0086795. eCollection 2014.@@McCarthy TC, Pollak PT, Hanniman EA, Sinal CJ: Disruption of hepatic lipid homeostasis in mice after amiodarone treatment is associated with peroxisome proliferator-activated receptor-alpha target gene activation. J Pharmacol Exp Ther. 2004 Dec;311(3):864-73. doi: 10.1124/jpet.104.072785. Epub 2004 Jul 20." Approved; Investigational Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Sodium Channel Blockers; Cytochrome P-450 CYP2A6 Inhibitors (moderate); alpha-Galactosidase, antagonists & inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Potassium Channel Blockers; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antiarrhythmics, Class III; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone Action Pathway drug_action 1400 46507387 D02910 PA448383 DAP000496 Amiodarone CHEMBL633 703 DB01118 Amiodarone BE0009812 PPARGC1B Q86YN6 PRGC2_HUMAN agonist 24489787 "Szalowska E, van der Burg B, Man HY, Hendriksen PJ, Peijnenburg AA: Model steatogenic compounds (amiodarone, valproic acid, and tetracycline) alter lipid metabolism by different mechanisms in mouse liver slices. PLoS One. 2014 Jan 29;9(1):e86795. doi: 10.1371/journal.pone.0086795. eCollection 2014." Approved; Investigational Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Sodium Channel Blockers; Cytochrome P-450 CYP2A6 Inhibitors (moderate); alpha-Galactosidase, antagonists & inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Potassium Channel Blockers; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antiarrhythmics, Class III; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone Action Pathway drug_action 1400 46507387 D02910 PA448383 DAP000496 Amiodarone CHEMBL633 703 DB01119 Diazoxide BE0010209 ATP5A1 P48047 ATPO_HUMAN inhibitor 17287451; 27643934 "Comelli M, Metelli G, Mavelli I: Downmodulation of mitochondrial F0F1 ATP synthase by diazoxide in cardiac myoblasts: a dual effect of the drug. Am J Physiol Heart Circ Physiol. 2007 Feb;292(2):H820-9.@@Jasova M, Kancirova I, Murarikova M, Farkasova V, Waczulikova I, Ravingerova T, Ziegelhoffer A, Ferko M: Stimulation of mitochondrial ATP synthase activity - a new diazoxide-mediated mechanism of cardioprotection. Physiol Res. 2016 Sep 19;65 Suppl 1:S119-27. doi: 10.33549/physiolres.933411." Approved "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "Hypotensive Agents; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfonamides; Vasodilating Agents; Hypoglycemia-Treating Agents; Antihypertensive Agents; Hyperglycemia-Associated Agents; Potassium Channel Opener; Arteriolar Smooth Muscle, Agents Acting On; Sulfur Compounds; Benzothiadiazines; Thiazide Derivatives; Direct Vasodilators" CC1=NS(=O)(=O)C2=C(N1)C=CC(Cl)=C2 9557 46508027 D00294 PA449285 DAP000956 Diazoxide CHEMBL181 3327 DB01128 Bicalutamide BE0000132 AR P10275 ANDR_HUMAN antagonist 10076535; 10500149; 10754148; 11931851; 12517791; 11752352 "Wang LG, Liu XM, Kreis W, Budman DR: Androgen antagonistic effect of estramustine phosphate (EMP) metabolites on wild-type and mutated androgen receptor. Biochem Pharmacol. 1998 May 1;55(9):1427-33.@@Chang HC, Miyamoto H, Marwah P, Lardy H, Yeh S, Huang KE, Chang C: Suppression of Delta(5)-androstenediol-induced androgen receptor transactivation by selective steroids in human prostate cancer cells. Proc Natl Acad Sci U S A. 1999 Sep 28;96(20):11173-7.@@Laufer M, Sinibaldi VJ, Carducci MA, Eisenberger MA: Rapid disease progression after the administration of bicalutamide in patients with metastatic prostate cancer. Urology. 1999 Oct;54(4):745.@@Bouchal J, Kolar Z, Mad'arova J, Hlobilkova A, von Angerer E: The effects of natural ligands of hormone receptors and their antagonists on telomerase activity in the androgen sensitive prostatic cancer cell line LNCaP. Biochem Pharmacol. 2002 Mar 15;63(6):1177-81.@@Hara T, Miyazaki J, Araki H, Yamaoka M, Kanzaki N, Kusaka M, Miyamoto M: Novel mutations of androgen receptor: a possible mechanism of bicalutamide withdrawal syndrome. Cancer Res. 2003 Jan 1;63(1):149-53.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes "Cytochrome P-450 CYP2D6 Inhibitors; Antiandrogens, non-steroidal; Amines; Cytochrome P-450 CYP3A Substrates; Amides; Hormone Antagonists; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Sulfones; Cytochrome P-450 Substrates; Androgen Receptor Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Antiandrogens; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Androgen Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Aniline Compounds; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Endocrine Therapy; Hormones and Related Agents; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Narrow Therapeutic Index Drugs; Hormone Antagonists and Related Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F 141 46505386 D00961 PA164746255 DAP000092 Bicalutamide CHEMBL409 83008 DB01130 Prednicarbate BE0000794 NR3C1 P04150 GCR_HUMAN agonist 2879901; 19482847 "Boudinot FD, D'Ambrosio R, Jusko WJ: Receptor-mediated pharmacodynamics of prednisolone in the rat. J Pharmacokinet Biopharm. 1986 Oct;14(5):469-93.@@Ikonomidis I, Tzortzis S, Lekakis J, Paraskevaidis I, Andreadou I, Nikolaou M, Kaplanoglou T, Katsimbri P, Skarantavos G, Soucacos P, Kremastinos DT: Lowering interleukin-1 activity with anakinra improves myocardial deformation in rheumatoid arthritis. Heart. 2009 Sep;95(18):1502-7. doi: 10.1136/hrt.2009.168971. Epub 2009 May 28." Approved; Investigational "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Steroids; Pregnadienetriols; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](OC(=O)OCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7559 46506799 PA164749394 DAP001189 Prednicarbate CHEMBL1200386 34369 DB01131 Proguanil BE0000330 DHFR P00374 DYR_HUMAN inhibitor 10068594; 10998224; 11295178; 11740746; 12667224; 11752352 "Kaneko A, Bergqvist Y, Takechi M, Kalkoa M, Kaneko O, Kobayakawa T, Ishizaki T, Bjorkman A: Intrinsic efficacy of proguanil against falciparum and vivax malaria independent of the metabolite cycloguanil. J Infect Dis. 1999 Apr;179(4):974-9.@@Vasconcelos KF, Plowe CV, Fontes CJ, Kyle D, Wirth DF, Pereira da Silva LH, Zalis MG: Mutations in Plasmodium falciparum dihydrofolate reductase and dihydropteroate synthase of isolates from the Amazon region of Brazil. Mem Inst Oswaldo Cruz. 2000 Sep-Oct;95(5):721-8.@@Tahar R, de Pecoulas PE, Basco LK, Chiadmi M, Mazabraud A: Kinetic properties of dihydrofolate reductase from wild-type and mutant Plasmodium vivax expressed in Escherichia coli. Mol Biochem Parasitol. 2001 Apr 6;113(2):241-9.@@Durand R, Jafari S, Bouchaud O, Ralaimazava P, Keundjian A, Le Bras J: Plasmodium falciparum: pfcrt and DHFR mutations are associated with failure of chloroquine plus proguanil prophylaxis in travelers. J Infect Dis. 2001 Dec 15;184(12):1633-4.@@Le Bras J, Durand R: The mechanisms of resistance to antimalarial drugs in Plasmodium falciparum. Fundam Clin Pharmacol. 2003 Apr;17(2):147-53.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved 1-arylbiguanides Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines "Cytochrome P-450 CYP2D6 Inhibitors; Antimetabolites; Cytochrome P-450 CYP2D6 Inhibitors (weak); Noxae; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Guanidines; Antiprotozoals; Antimalarials; Cytochrome P-450 CYP2C19 Substrates; Biguanides; Folic Acid Antagonists; Antiparasitic Agents; Anti-Infective Agents; Cytochrome P-450 CYP2C9 Substrates; Amidines; Toxic Actions" CC(C)NC(=N)NC(=N)NC1=CC=C(Cl)C=C1 11436 46506228 PA451124 DAP000634 Proguanil CHEMBL1377 2382 DB01132 Pioglitazone BE0000215 PPARG P37231 PPARG_HUMAN agonist 20018750; 15356026; 9568680; 8576907 "Sugii S, Olson P, Sears DD, Saberi M, Atkins AR, Barish GD, Hong SH, Castro GL, Yin YQ, Nelson MC, Hsiao G, Greaves DR, Downes M, Yu RT, Olefsky JM, Evans RM: PPARgamma activation in adipocytes is sufficient for systemic insulin sensitization. Proc Natl Acad Sci U S A. 2009 Dec 29;106(52):22504-9. doi: 10.1073/pnas.0912487106. Epub 2009 Dec 16.@@Miyazaki Y, Mahankali A, Wajcberg E, Bajaj M, Mandarino LJ, DeFronzo RA: Effect of pioglitazone on circulating adipocytokine levels and insulin sensitivity in type 2 diabetic patients. J Clin Endocrinol Metab. 2004 Sep;89(9):4312-9.@@Spiegelman BM: PPAR-gamma: adipogenic regulator and thiazolidinedione receptor. Diabetes. 1998 Apr;47(4):507-14.@@Willson TM, Cobb JE, Cowan DJ, Wiethe RW, Correa ID, Prakash SR, Beck KD, Moore LB, Kliewer SA, Lehmann JM: The structure-activity relationship between peroxisome proliferator-activated receptor gamma agonism and the antihyperglycemic activity of thiazolidinediones. J Med Chem. 1996 Feb 2;39(3):665-8." Approved; Investigational Phenol ethers Organic compounds; Benzenoids; Phenol ethers Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Peroxisome Proliferator Receptor gamma Agonist; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Alimentary Tract and Metabolism; OATP1B3 inhibitors; Cytochrome P-450 CYP3A4 Substrates; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Cytochrome P-450 CYP3A Inducers; Sulfur Compounds; Peroxisome Proliferator-activated Receptor Activity CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1 12012 46507136 D08378 PA450970 DAP000272 Pioglitazone CHEMBL595 33738 DB01133 Tiludronic acid BE0009940 PTPN12 Q05209 PTN12_HUMAN inhibitor 9145236; 19189046 "Murakami H, Takahashi N, Tanaka S, Nakamura I, Udagawa N, Nakajo S, Nakaya K, Abe M, Yuda Y, Konno F, Barbier A, Suda T: Tiludronate inhibits protein tyrosine phosphatase activity in osteoclasts. Bone. 1997 May;20(5):399-404.@@Sheng MH, Lau KH: Role of protein-tyrosine phosphatases in regulation of osteoclastic activity. Cell Mol Life Sci. 2009 Jun;66(11-12):1946-61. doi: 10.1007/s00018-009-8811-5." Approved; Investigational; Vet_approved Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates "Phospholipases A, antagonists & inhibitors; Organophosphonates; Drugs Affecting Bone Structure and Mineralization; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs that are Mainly Renally Excreted; Drugs for Treatment of Bone Diseases" OP(O)(=O)C(SC1=CC=C(Cl)C=C1)P(O)(O)=O 11362 46505302 PA451688 Tiludronic_acid CHEMBL1350 57230 DB01133 Tiludronic acid BE0003568 PTPRE P23469 PTPRE_HUMAN inhibitor 9145236; 19189046 "Murakami H, Takahashi N, Tanaka S, Nakamura I, Udagawa N, Nakajo S, Nakaya K, Abe M, Yuda Y, Konno F, Barbier A, Suda T: Tiludronate inhibits protein tyrosine phosphatase activity in osteoclasts. Bone. 1997 May;20(5):399-404.@@Sheng MH, Lau KH: Role of protein-tyrosine phosphatases in regulation of osteoclastic activity. Cell Mol Life Sci. 2009 Jun;66(11-12):1946-61. doi: 10.1007/s00018-009-8811-5." Approved; Investigational; Vet_approved Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates "Phospholipases A, antagonists & inhibitors; Organophosphonates; Drugs Affecting Bone Structure and Mineralization; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs that are Mainly Renally Excreted; Drugs for Treatment of Bone Diseases" OP(O)(=O)C(SC1=CC=C(Cl)C=C1)P(O)(O)=O 11362 46505302 PA451688 Tiludronic_acid CHEMBL1350 57230 DB01134 Desoxycorticosterone pivalate BE0000668 NR3C2 P08235 MCR_HUMAN agonist 17139284; 17016423; 6227474; 11752352; 744157 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Beaumont K, Fanestil DD: Characterization of rat brain aldosterone receptors reveals high affinity for corticosterone. Endocrinology. 1983 Dec;113(6):2043-51.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Sekihara H, Island DP, Liddle GW: New mineralocorticoids: 5alpha-dihydroaldosterone and 5alpha-dihydro-11-deoxycorticosterone. Endocrinology. 1978 Oct;103(4):1450-2." Experimental; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Fused-Ring Compounds; Pregnenes; Corticosteroids; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Pregnenediones; Cytochrome P-450 CYP3A Substrates; Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Substrates; Steroids; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)COC(=O)C(C)(C)C 22599 46506381 PA449245 DAP001106 Desoxycorticosterone_pivalate CHEMBL1200592 22537 DB01135 Doxacurium BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 17139284; 17016423; 9523819 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Hou VY, Hirshman CA, Emala CW: Neuromuscular relaxants as antagonists for M2 and M3 muscarinic receptors. Anesthesiology. 1998 Mar;88(3):744-50." Approved "Anticholinergic Agents; Muscarinic Antagonists; Neuromuscular Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Nicotinic Antagonists; Central Nervous System Depressants; Muscle Relaxants; Cholinesterase substrates; Neuromuscular-Blocking Agents (Nondepolarizing); Muscle Relaxants, Peripherally Acting Agents; Drugs that are Mainly Renally Excreted; Peripheral Nervous System Agents; Neuromuscular Blocking Agents" COC1=CC(CC2C3=C(OC)C(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C(OC)=C3C2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC 11342 46506733 D00760 PA164744927 DAP000350 Doxacurium_chloride CHEMBL1237123 23651 DB01136 Carvedilol BE0004863 ADRA1A P25100 ADA1D_HUMAN inhibitor 24368739 "O'Connell TD, Jensen BC, Baker AJ, Simpson PC: Cardiac alpha1-adrenergic receptors: novel aspects of expression, signaling mechanisms, physiologic function, and clinical importance. Pharmacol Rev. 2013 Dec 24;66(1):308-33. doi: 10.1124/pr.112.007203. Print 2014." Approved; Investigational Carbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "Antioxidants; UGT2B7 substrates; Amines; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Protective Agents; Adrenergic alpha-Antagonists; Indoles; Hypotensive Agents; Amino Alcohols; Adrenergic beta-1 Receptor Antagonists; Alpha and Beta Blocking Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Adrenergic beta2-Antagonists; Alcohols; Negative Inotrope; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Biological Factors; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Propanols; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Propanolamines; Cytochrome P-450 CYP2C9 Substrates; Adrenergic beta-Antagonists; Carbazoles; UGT1A1 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2 Carvedilol Action Pathway drug_action 1188 46505146 D00255 PA448817 DAP000135 Carvedilol CHEMBL723 20352 DB01136 Carvedilol BE0000979 NPPB P16860 ANFB_HUMAN other 11206715; 11401111; 14692707; 15325927; 15864245 "Ohta Y, Watanabe K, Nakazawa M, Yamamoto T, Ma M, Fuse K, Ito M, Hirono S, Tanabe T, Hanawa H, Kato K, Kodama M, Aizawa Y: Carvedilol enhances atrial and brain natriuretic peptide mRNA expression and release in rat heart. J Cardiovasc Pharmacol. 2000;36 Suppl 2:S19-23.@@Richards AM, Doughty R, Nicholls MG, MacMahon S, Sharpe N, Murphy J, Espiner EA, Frampton C, Yandle TG: Plasma N-terminal pro-brain natriuretic peptide and adrenomedullin: prognostic utility and prediction of benefit from carvedilol in chronic ischemic left ventricular dysfunction. Australia-New Zealand Heart Failure Group. J Am Coll Cardiol. 2001 Jun 1;37(7):1781-7.@@Konishi H, Nishio S, Tsutamoto T, Minouchi T, Yamaji A: Serum carvedilol concentration and its relation to change in plasma brain natriuretic peptide level in the treatment of heart failure: a preliminary study. Int J Clin Pharmacol Ther. 2003 Dec;41(12):578-86.@@Takeda Y, Fukutomi T, Suzuki S, Yamamoto K, Ogata M, Kondo H, Sugiura M, Shigeyama J, Itoh M: Effects of carvedilol on plasma B-type natriuretic peptide concentration and symptoms in patients with heart failure and preserved ejection fraction. Am J Cardiol. 2004 Aug 15;94(4):448-53.@@Frantz RP, Olson LJ, Grill D, Moualla SK, Nelson SM, Nobrega TP, Hanna RD, Backes RJ, Mookadam F, Heublein D, Bailey KR, Burnett JC: Carvedilol therapy is associated with a sustained decline in brain natriuretic peptide levels in patients with congestive heart failure. Am Heart J. 2005 Mar;149(3):541-7." Approved; Investigational Carbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "Antioxidants; UGT2B7 substrates; Amines; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Protective Agents; Adrenergic alpha-Antagonists; Indoles; Hypotensive Agents; Amino Alcohols; Adrenergic beta-1 Receptor Antagonists; Alpha and Beta Blocking Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Adrenergic beta2-Antagonists; Alcohols; Negative Inotrope; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Biological Factors; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Propanols; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Propanolamines; Cytochrome P-450 CYP2C9 Substrates; Adrenergic beta-Antagonists; Carbazoles; UGT1A1 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2 Carvedilol Action Pathway drug_action 1188 46505146 D00255 PA448817 DAP000135 Carvedilol CHEMBL723 20352 DB01136 Carvedilol BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 15306222; 18657662 "Koshimizu TA, Tsujimoto G, Hirasawa A, Kitagawa Y, Tanoue A: Carvedilol selectively inhibits oscillatory intracellular calcium changes evoked by human alpha1D- and alpha1B-adrenergic receptors. Cardiovasc Res. 2004 Sep 1;63(4):662-72.@@Van Tassell BW, Rondina MT, Huggins F, Gilbert EM, Munger MA: Carvedilol increases blood pressure response to phenylephrine infusion in heart failure subjects with systolic dysfunction: evidence of improved vascular alpha1-adrenoreceptor signal transduction. Am Heart J. 2008 Aug;156(2):315-21. doi: 10.1016/j.ahj.2008.04.004. Epub 2008 Jun 20." Approved; Investigational Carbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "Antioxidants; UGT2B7 substrates; Amines; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Protective Agents; Adrenergic alpha-Antagonists; Indoles; Hypotensive Agents; Amino Alcohols; Adrenergic beta-1 Receptor Antagonists; Alpha and Beta Blocking Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Adrenergic beta2-Antagonists; Alcohols; Negative Inotrope; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Biological Factors; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Propanols; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Propanolamines; Cytochrome P-450 CYP2C9 Substrates; Adrenergic beta-Antagonists; Carbazoles; UGT1A1 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2 Carvedilol Action Pathway drug_action 1188 46505146 D00255 PA448817 DAP000135 Carvedilol CHEMBL723 20352 DB01136 Carvedilol BE0002374 HIF1A Q16665 HIF1A_HUMAN modulator 15732037 "Shyu KG, Lu MJ, Chang H, Sun HY, Wang BW, Kuan P: Carvedilol modulates the expression of hypoxia-inducible factor-1alpha and vascular endothelial growth factor in a rat model of volume-overload heart failure. J Card Fail. 2005 Mar;11(2):152-9." Approved; Investigational Carbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "Antioxidants; UGT2B7 substrates; Amines; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Protective Agents; Adrenergic alpha-Antagonists; Indoles; Hypotensive Agents; Amino Alcohols; Adrenergic beta-1 Receptor Antagonists; Alpha and Beta Blocking Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Adrenergic beta2-Antagonists; Alcohols; Negative Inotrope; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Biological Factors; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Propanols; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Propanolamines; Cytochrome P-450 CYP2C9 Substrates; Adrenergic beta-Antagonists; Carbazoles; UGT1A1 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2 Carvedilol Action Pathway drug_action 1188 46505146 D00255 PA448817 DAP000135 Carvedilol CHEMBL723 20352 DB01136 Carvedilol BE0005187 KCNJ4 P48050 KCNJ4_HUMAN inhibitor 21663737 "Ferrer T, Ponce-Balbuena D, Lopez-Izquierdo A, Arechiga-Figueroa IA, de Boer TP, van der Heyden MA, Sanchez-Chapula JA: Carvedilol inhibits Kir2.3 channels by interference with PIP(2)-channel interaction. Eur J Pharmacol. 2011 Oct 1;668(1-2):72-7. doi: 10.1016/j.ejphar.2011.05.067. Epub 2011 Jun 6." Approved; Investigational Carbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "Antioxidants; UGT2B7 substrates; Amines; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Protective Agents; Adrenergic alpha-Antagonists; Indoles; Hypotensive Agents; Amino Alcohols; Adrenergic beta-1 Receptor Antagonists; Alpha and Beta Blocking Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Adrenergic beta2-Antagonists; Alcohols; Negative Inotrope; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Biological Factors; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Propanols; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Propanolamines; Cytochrome P-450 CYP2C9 Substrates; Adrenergic beta-Antagonists; Carbazoles; UGT1A1 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2 Carvedilol Action Pathway drug_action 1188 46505146 D00255 PA448817 DAP000135 Carvedilol CHEMBL723 20352 DB01138 Sulfinpyrazone BE0000785 ABCC1 P33527 MRP1_HUMAN inhibitor 10917554; 9685354; 10727523; 15044619; 9885294; 11752352 "Evers R, de Haas M, Sparidans R, Beijnen J, Wielinga PR, Lankelma J, Borst P: Vinblastine and sulfinpyrazone export by the multidrug resistance protein MRP2 is associated with glutathione export. Br J Cancer. 2000 Aug;83(3):375-83.@@Morrow CS, Smitherman PK, Diah SK, Schneider E, Townsend AJ: Coordinated action of glutathione S-transferases (GSTs) and multidrug resistance protein 1 (MRP1) in antineoplastic drug detoxification. Mechanism of GST A1-1- and MRP1-associated resistance to chlorambucil in MCF7 breast carcinoma cells. J Biol Chem. 1998 Aug 7;273(32):20114-20.@@Bakos E, Evers R, Sinko E, Varadi A, Borst P, Sarkadi B: Interactions of the human multidrug resistance proteins MRP1 and MRP2 with organic anions. Mol Pharmacol. 2000 Apr;57(4):760-8.@@Depeille P, Cuq P, Mary S, Passagne I, Evrard A, Cupissol D, Vian L: Glutathione S-transferase M1 and multidrug resistance protein 1 act in synergy to protect melanoma cells from vincristine effects. Mol Pharmacol. 2004 Apr;65(4):897-905.@@Raggers RJ, van Helvoort A, Evers R, van Meer G: The human multidrug resistance protein MRP1 translocates sphingolipid analogs across the plasma membrane. J Cell Sci. 1999 Feb;112 ( Pt 3):415-22.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Phenyl sulfoxides Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenyl sulfoxides Cytochrome P-450 CYP3A Substrates; Preparations Increasing Uric Acid Excretion; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrazolones; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP2B6 Inducers; Musculo-Skeletal System; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; Uricosuric Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antigout Preparations; Pyrazoles; Cytochrome P-450 CYP3A Inducers O=C1C(CCS(=O)C2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1 8151 46504918 D00449 PA451550 DAP000794 Sulfinpyrazone CHEMBL832 10205 DB01142 Doxepin BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 15286093; 7238574; 15255990; 3011460; 6086881; 7855217; 19179941; 17685877; 2141000; 11752352 "Tashiro M, Sakurada Y, Iwabuchi K, Mochizuki H, Kato M, Aoki M, Funaki Y, Itoh M, Iwata R, Wong DF, Yanai K: Central effects of fexofenadine and cetirizine: measurement of psychomotor performance, subjective sleepiness, and brain histamine H1-receptor occupancy using 11C-doxepin positron emission tomography. J Clin Pharmacol. 2004 Aug;44(8):890-900.@@Tran VT, Lebovitz R, Toll L, Snyder SH: [3H]doxepin interactions with histamine H1-receptors and other sites in guinea pig and rat brain homogenates. Eur J Pharmacol. 1981 Apr 9;70(4):501-9.@@Kano M, Fukudo S, Tashiro A, Utsumi A, Tamura D, Itoh M, Iwata R, Tashiro M, Mochizuki H, Funaki Y, Kato M, Hongo M, Yanai K: Decreased histamine H1 receptor binding in the brain of depressed patients. Eur J Neurosci. 2004 Aug;20(3):803-10.@@Claro E, Arbones L, Garcia A, Picatoste F: Phosphoinositide hydrolysis mediated by histamine H1-receptors in rat brain cortex. Eur J Pharmacol. 1986 Apr 16;123(2):187-96.@@Richelson E, Nelson A: Antagonism by antidepressants of neurotransmitter receptors of normal human brain in vitro. J Pharmacol Exp Ther. 1984 Jul;230(1):94-102.@@Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Stahl SM: Selective histamine H1 antagonism: novel hypnotic and pharmacologic actions challenge classical notions of antihistamines. CNS Spectr. 2008 Dec;13(12):1027-38.@@Singh H, Becker PM: Novel therapeutic usage of low-dose doxepin hydrochloride. Expert Opin Investig Drugs. 2007 Aug;16(8):1295-305.@@Figueiredo A, Ribeiro CA, Goncalo M, Almeida L, Poiares-Baptista A, Teixeira F: Mechanism of action of doxepin in the treatment of chronic urticaria. Fundam Clin Pharmacol. 1990;4(2):147-58.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Dibenzoxepines Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates" [H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12 Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action drug_metabolism; drug_action 5691 46505232 D07875 PA449409 DAP000177 Doxepin CHEMBL1628227 3638 DB01142 Doxepin BE0000112 HRH2 P25021 HRH2_HUMAN antagonist 2897127; 2141000 "Beil W, Hannemann H, Sewing KF: Interaction of antidepressants and neuroleptics with histamine stimulated parietal cell adenylate cyclase and H+ secretion. Pharmacology. 1988;36(3):198-203.@@Figueiredo A, Ribeiro CA, Goncalo M, Almeida L, Poiares-Baptista A, Teixeira F: Mechanism of action of doxepin in the treatment of chronic urticaria. Fundam Clin Pharmacol. 1990;4(2):147-58." Approved; Investigational Dibenzoxepines Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates" [H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12 Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action drug_metabolism; drug_action 5691 46505232 D07875 PA449409 DAP000177 Doxepin CHEMBL1628227 3638 DB01142 Doxepin BE0000393 HTR2B P41595 5HT2B_HUMAN antagonist 7855217; 309138 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Maj J, Gancarczyk L, Gorszczyk L, Rawlow A: Doxepin as a blocker of central serotonin receptors. Pharmakopsychiatr Neuropsychopharmakol. 1977 Dec;10(6):318-24." Approved; Investigational Dibenzoxepines Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates" [H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12 Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action drug_metabolism; drug_action 5691 46505232 D07875 PA449409 DAP000177 Doxepin CHEMBL1628227 3638 DB01142 Doxepin BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 7855217; 309138 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Maj J, Gancarczyk L, Gorszczyk L, Rawlow A: Doxepin as a blocker of central serotonin receptors. Pharmakopsychiatr Neuropsychopharmakol. 1977 Dec;10(6):318-24." Approved; Investigational Dibenzoxepines Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates" [H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12 Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action drug_metabolism; drug_action 5691 46505232 D07875 PA449409 DAP000177 Doxepin CHEMBL1628227 3638 DB01142 Doxepin BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 7855217; 2329499; 2141000 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Ehlert FJ, Delen FM, Yun SH, Liem HA: The interaction of amitriptyline, doxepin, imipramine and their N-methyl quaternary ammonium derivatives with subtypes of muscarinic receptors in brain and heart. J Pharmacol Exp Ther. 1990 Apr;253(1):13-9.@@Figueiredo A, Ribeiro CA, Goncalo M, Almeida L, Poiares-Baptista A, Teixeira F: Mechanism of action of doxepin in the treatment of chronic urticaria. Fundam Clin Pharmacol. 1990;4(2):147-58." Approved; Investigational Dibenzoxepines Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates" [H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12 Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action drug_metabolism; drug_action 5691 46505232 D07875 PA449409 DAP000177 Doxepin CHEMBL1628227 3638 DB01142 Doxepin BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 7855217; 2329499; 2141000 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Ehlert FJ, Delen FM, Yun SH, Liem HA: The interaction of amitriptyline, doxepin, imipramine and their N-methyl quaternary ammonium derivatives with subtypes of muscarinic receptors in brain and heart. J Pharmacol Exp Ther. 1990 Apr;253(1):13-9.@@Figueiredo A, Ribeiro CA, Goncalo M, Almeida L, Poiares-Baptista A, Teixeira F: Mechanism of action of doxepin in the treatment of chronic urticaria. Fundam Clin Pharmacol. 1990;4(2):147-58." Approved; Investigational Dibenzoxepines Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates" [H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12 Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action drug_metabolism; drug_action 5691 46505232 D07875 PA449409 DAP000177 Doxepin CHEMBL1628227 3638 DB01142 Doxepin BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 7855217; 2329499; 2141000 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Ehlert FJ, Delen FM, Yun SH, Liem HA: The interaction of amitriptyline, doxepin, imipramine and their N-methyl quaternary ammonium derivatives with subtypes of muscarinic receptors in brain and heart. J Pharmacol Exp Ther. 1990 Apr;253(1):13-9.@@Figueiredo A, Ribeiro CA, Goncalo M, Almeida L, Poiares-Baptista A, Teixeira F: Mechanism of action of doxepin in the treatment of chronic urticaria. Fundam Clin Pharmacol. 1990;4(2):147-58." Approved; Investigational Dibenzoxepines Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates" [H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12 Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action drug_metabolism; drug_action 5691 46505232 D07875 PA449409 DAP000177 Doxepin CHEMBL1628227 3638 DB01142 Doxepin BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 7855217; 19179941; 6086881 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Stahl SM: Selective histamine H1 antagonism: novel hypnotic and pharmacologic actions challenge classical notions of antihistamines. CNS Spectr. 2008 Dec;13(12):1027-38.@@Richelson E, Nelson A: Antagonism by antidepressants of neurotransmitter receptors of normal human brain in vitro. J Pharmacol Exp Ther. 1984 Jul;230(1):94-102." Approved; Investigational Dibenzoxepines Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates" [H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12 Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action drug_metabolism; drug_action 5691 46505232 D07875 PA449409 DAP000177 Doxepin CHEMBL1628227 3638 DB01144 Diclofenamide BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 18336310 "Mincione F, Scozzafava A, Supuran CT: The development of topically acting carbonic anhydrase inhibitors as antiglaucoma agents. Curr Pharm Des. 2008;14(7):649-54." Approved; Investigational Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides Hypotensive Agents; Ophthalmologicals; Sulfones; Enzyme Inhibitors; Diuretics; Antiglaucoma Preparations and Miotics; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Amides; Genito Urinary System and Sex Hormones; Sulfonamides; Carbonic Anhydrase Inhibitors; Sensory Organs; Ophthalmics NS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O 46505039 D00518 PA164745512 DAP000601 Diclofenamide CHEMBL17 3353 DB01144 Diclofenamide BE0003625 CA3 P07451 CAH3_HUMAN inhibitor 17826101 "Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25." Approved; Investigational Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides Hypotensive Agents; Ophthalmologicals; Sulfones; Enzyme Inhibitors; Diuretics; Antiglaucoma Preparations and Miotics; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Amides; Genito Urinary System and Sex Hormones; Sulfonamides; Carbonic Anhydrase Inhibitors; Sensory Organs; Ophthalmics NS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O 46505039 D00518 PA164745512 DAP000601 Diclofenamide CHEMBL17 3353 DB01146 Diphenylpyraline BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 17139284; 17016423; 1912125; 1678430; 18977145; 15627433; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Nakai T, Kitamura N, Hashimoto T, Kajimoto Y, Nishino N, Mita T, Tanaka C: Decreased histamine H1 receptors in the frontal cortex of brains from patients with chronic schizophrenia. Biol Psychiatry. 1991 Aug 15;30(4):349-56.@@Taniguchi K, Masuda Y, Takanaka K: Inhibitory effects of histamine H1 receptor blocking drugs on metabolic activations of neutrophils. J Pharmacobiodyn. 1991 Feb;14(2):87-93.@@Weis R, Schweiger K, Faist J, Rajkovic E, Kungl AJ, Fabian WM, Schunack W, Seebacher W: Antimycobacterial and H1-antihistaminic activity of 2-substituted piperidine derivatives. Bioorg Med Chem. 2008 Dec 15;16(24):10326-31. doi: 10.1016/j.bmc.2008.10.042. Epub 2008 Oct 22.@@Lapa GB, Mathews TA, Harp J, Budygin EA, Jones SR: Diphenylpyraline, a histamine H1 receptor antagonist, has psychostimulant properties. Eur J Pharmacol. 2005 Jan 4;506(3):237-40. Epub 2004 Dec 8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Aminoalkyl Ethers; Histamine Antagonists; Histamine H1 Antagonists; Antihistamines for Systemic Use CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylpyraline H1-Antihistamine Action drug_action 9613 46504936 D07862 PA164746377 DAP001071 Diphenylpyraline CHEMBL1492 23386 DB01148 Flavoxate BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 17139284; 17016423; 19002123; 10858873; 3247311 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Greco KA, McVary KT: The role of combination medical therapy in benign prostatic hyperplasia. Int J Impot Res. 2008 Dec;20 Suppl 3:S33-43. doi: 10.1038/ijir.2008.51.@@Uckert S, Stief CG, Odenthal KP, Truss MC, Lietz B, Jonas U: Responses of isolated normal human detrusor muscle to various spasmolytic drugs commonly used in the treatment of the overactive bladder. Arzneimittelforschung. 2000 May;50(5):456-60.@@Abbiati GA, Ceserani R, Nardi D, Pietra C, Testa R: Receptor binding studies of the flavone, REC 15/2053, and other bladder spasmolytics. Pharm Res. 1988 Jul;5(7):430-3." Approved Flavones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "Benzopyrans; Agents producing tachycardia; Pyrans; Autonomic Agents; Urological Agents; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Chromones; Heterocyclic Compounds, Fused-Ring; Urologicals; Genitourinary Agents; Peripheral Nervous System Agents; Parasympatholytics; Flavonoids; Drugs for Urinary Frequency and Incontinence; Flavones; Muscarinic Antagonists" CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1=CC=CC=C1 9419 46505138 PA164781386 DAP001114 Flavoxate CHEMBL1493 4440 DB01149 Nefazodone BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 16433010; 11752352 "Millan MJ: Serotonin 5-HT2C receptors as a target for the treatment of depressive and anxious states: focus on novel therapeutic strategies. Therapie. 2005 Sep-Oct;60(5):441-60.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Withdrawn Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonin 5-HT1 Receptor Antagonists; P-glycoprotein inducers; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Serotonin and Noradrenaline Reuptake Inhibitors; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; BSEP/ABCB11 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Serotonin antagonist and reuptake inhibitors (SARIs); Antidepressive Agents, Second-Generation; Antidepressive Agents, Triazolopyridine" CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1 449 46508323 D08257 PA450603 DAP000042 Nefazodone CHEMBL623 31565 DB01151 Desipramine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 10467920; 7855217 "Sawynok J, Esser MJ, Reid AR: Peripheral antinociceptive actions of desipramine and fluoxetine in an inflammatory and neuropathic pain test in the rat. Pain. 1999 Aug;82(2):149-58.@@Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65." Approved; Investigational Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Dibenzazepines; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents" CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12 Imipramine Metabolism Pathway; Imipramine Action Pathway; Desipramine Metabolism Pathway; Desipramine Action Pathway drug_metabolism; drug_action 11181 46504624 D07791 PA449233 DAP001151 Desipramine CHEMBL72 3247 DB01151 Desipramine BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist 7855217 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65." Approved; Investigational Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Dibenzazepines; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents" CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12 Imipramine Metabolism Pathway; Imipramine Action Pathway; Desipramine Metabolism Pathway; Desipramine Action Pathway drug_metabolism; drug_action 11181 46504624 D07791 PA449233 DAP001151 Desipramine CHEMBL72 3247 DB01151 Desipramine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 7855217; 17139284; 17016423 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Investigational Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Dibenzazepines; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents" CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12 Imipramine Metabolism Pathway; Imipramine Action Pathway; Desipramine Metabolism Pathway; Desipramine Action Pathway drug_metabolism; drug_action 11181 46504624 D07791 PA449233 DAP001151 Desipramine CHEMBL72 3247 DB01151 Desipramine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 7855217 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65." Approved; Investigational Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Dibenzazepines; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents" CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12 Imipramine Metabolism Pathway; Imipramine Action Pathway; Desipramine Metabolism Pathway; Desipramine Action Pathway drug_metabolism; drug_action 11181 46504624 D07791 PA449233 DAP001151 Desipramine CHEMBL72 3247 DB01151 Desipramine BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 7855217 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65." Approved; Investigational Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Dibenzazepines; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents" CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12 Imipramine Metabolism Pathway; Imipramine Action Pathway; Desipramine Metabolism Pathway; Desipramine Action Pathway drug_metabolism; drug_action 11181 46504624 D07791 PA449233 DAP001151 Desipramine CHEMBL72 3247 DB01151 Desipramine BE0000533 HTR2C P28335 5HT2C_HUMAN binder 8876023 "Palvimaki EP, Roth BL, Majasuo H, Laakso A, Kuoppamaki M, Syvalahti E, Hietala J: Interactions of selective serotonin reuptake inhibitors with the serotonin 5-HT2c receptor. Psychopharmacology (Berl). 1996 Aug;126(3):234-40." Approved; Investigational Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Dibenzazepines; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents" CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12 Imipramine Metabolism Pathway; Imipramine Action Pathway; Desipramine Metabolism Pathway; Desipramine Action Pathway drug_metabolism; drug_action 11181 46504624 D07791 PA449233 DAP001151 Desipramine CHEMBL72 3247 DB01154 Thiamylal BE0000795 GABRA1 P14867 GBRA1_HUMAN agonist 17139284; 17016423; 11900777; 14579514; 10209232; 11264449; 10487207; 18619475 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sugimura M, Kitayama S, Morita K, Imai Y, Irifune M, Takarada T, Kawahara M, Dohi T: Effects of GABAergic agents on anesthesia induced by halothane, isoflurane, and thiamylal in mice. Pharmacol Biochem Behav. 2002 May;72(1-2):111-6.@@Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Grasshoff C, Netzhammer N, Schweizer J, Antkowiak B, Hentschke H: Depression of spinal network activity by thiopental: shift from phasic to tonic GABA(A) receptor-mediated inhibition. Neuropharmacology. 2008 Oct;55(5):793-802. doi: 10.1016/j.neuropharm.2008.06.026. Epub 2008 Jun 21." Approved; Vet_approved Thiobarbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Thiobarbiturates; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2E1 Substrates; Anesthetics, Intravenous; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Barbiturates; Pyrimidinones; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants" CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O 8234 46506261 D06106 PA164746997 DAP000684 Thiamylal CHEMBL440 10464 DB01156 Bupropion BE0003585 CHRNA3 P32297 ACHA3_HUMAN antagonist 9862757; 10991997 "Fryer JD, Lukas RJ: Noncompetitive functional inhibition at diverse, human nicotinic acetylcholine receptor subtypes by bupropion, phencyclidine, and ibogaine. J Pharmacol Exp Ther. 1999 Jan;288(1):88-92.@@Slemmer JE, Martin BR, Damaj MI: Bupropion is a nicotinic antagonist. J Pharmacol Exp Ther. 2000 Oct;295(1):321-7." Approved Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Enzyme Inhibitors; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Centrally Acting Antiobesity Products; Miscellaneous Antidepressants; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Psychoanaleptics; Aminoketone Antidepressants; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2E1 Substrates; Smoking Cessation Agents; Ketones; Agents that reduce seizure threshold; Antiobesity Preparations, Excl. Diet Products; Norepinephrine Uptake Inhibitors; Drugs causing inadvertant photosensitivity; Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP2D6 Inhibitors (strong); Increased Norepinephrine Activity; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents; Increased Dopamine Activity; Dopamine And Norepinephrine Reuptake Inhibitors" CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC=C1 11772 46506896 D07591 PA448687 DAP000052 Bupropion CHEMBL894 42347 DB01157 Trimetrexate BE0000330 DHFR P00374 DYR_HUMAN inhibitor 10386066; 11448221; 11752096; 12416030; 12649191; 10091649; 21234348 "Bertino JR, Zhao SC, Mineishi S, Ercikan-Abali EA, Banerjee D: Use of variants of dihydrofolate reductase in gene transfer to produce resistance to methotrexate and trimetrexate. Prog Exp Tumor Res. 1999;36:82-94.@@Graffner-Nordberg M, Kolmodin K, Aqvist J, Queener SF, Hallberg A: Design, synthesis, computational prediction, and biological evaluation of ester soft drugs as inhibitors of dihydrofolate reductase from Pneumocystis carinii. J Med Chem. 2001 Jul 19;44(15):2391-402.@@Warlick CA, Diers MD, Wagner JE, McIvor RS: In vivo selection of antifolate-resistant transgenic hematopoietic stem cells in a murine bone marrow transplant model. J Pharmacol Exp Ther. 2002 Jan;300(1):50-6.@@Zhu WY, Bunni M, Priest DG, DiCapua JL, Dressler JM, Chen Z, Melera PW: Severe folate restriction results in depletion of and alteration in the composition of the intracellular folate pool, moderate sensitization to methotrexate and trimetrexate, upregulation of endogenous DHFR activity, and overexpression of metallothionein II and folate receptor alpha that, upon folate repletion, confer drug resistance to CHL cells. J Exp Ther Oncol. 2002 Sep-Oct;2(5):264-77.@@Sweeney CL, Frandsen JL, Verfaillie CM, McIvor RS: Trimetrexate inhibits progression of the murine 32Dp210 model of chronic myeloid leukemia in animals expressing drug-resistant dihydrofolate reductase. Cancer Res. 2003 Mar 15;63(6):1304-10.@@Polshakov VI, Birdsall B, Frenkiel TA, Gargaro AR, Feeney J: Structure and dynamics in solution of the complex of Lactobacillus casei dihydrofolate reductase with the new lipophilic antifolate drug trimetrexate. Protein Sci. 1999 Mar;8(3):467-81.@@Sowers R, Wenzel BD, Richardson C, Meyers PA, Healey JH, Levy AS, Gorlick R: Impairment of methotrexate transport is common in osteosarcoma tumor samples. Sarcoma. 2011;2011:834170. doi: 10.1155/2011/834170. Epub 2010 Dec 22." Approved; Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Enzyme Inhibitors; Antimetabolites; Carbohydrates; Noxae; Uronic Acids; Hydroxy Acids; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Folic Acid Antagonists; Acids, Aldehydic; Acids, Acyclic; Sugar Acids; Anti-Infective Agents; Pharmaceutical Preparations; Narrow Therapeutic Index Drugs; Toxic Actions; Quinazolines" COC1=CC(NCC2=C(C)C3=C(C=C2)N=C(N)N=C3N)=CC(OC)=C1OC 11345 46505247 D06238 PA451790 DAP000635 Trimetrexate CHEMBL119 42333 DB01158 Bretylium BE0000732 ATP1A1 P05023 AT1A1_HUMAN inhibitor 1334399; 15121098; 1662173; 1667290 "Dzimiri N, Almotrefi AA: Inhibition of myocardial Na(+)-K(+)-ATPase activity by bretylium: role of potassium. Arch Int Pharmacodyn Ther. 1992 Jul-Aug;318:76-85.@@Helms JB, Arnett KL, Gatto C, Milanick MA: Bretylium, an organic quaternary amine, inhibits the Na,K-ATPase by binding to the extracellular K-site. Blood Cells Mol Dis. 2004 May-Jun;32(3):394-400.@@Dzimiri N, Almotrefi AA: Interaction of bretylium tosylate with guinea-pig myocardial Na(+)-K(+)-ATPase. Gen Pharmacol. 1991;22(5):935-8.@@Tiku PE, Nowell PT: Selective inhibition of K(+)-stimulation of Na,K-ATPase by bretylium. Br J Pharmacol. 1991 Dec;104(4):895-900." Approved Phenylmethylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines "Antiarrhythmic agents; Hypotensive Agents; Cardiovascular Agents; Potential QTc-Prolonging Agents; Quaternary Ammonium Compounds; QTc Prolonging Agents; Amines; Cardiac Therapy; Adrenergic Antagonists; Antihypertensive Agents; Neurotransmitter Agents; Bretylium Compounds; Bradycardia-Causing Agents; Adrenergic Agents; Benzylammonium Compounds; Antiarrhythmics, Class III" CC[N+](C)(C)CC1=CC=CC=C1Br 5917 46505320 D00645 PA448662 DAP000939 Bretylium CHEMBL1199080 19685 DB01159 Halothane BE0003583 KCNK9 Q9NPC2 KCNK9_HUMAN binder 20519544; 20217349 "Lazarenko RM, Willcox SC, Shu S, Berg AP, Jevtovic-Todorovic V, Talley EM, Chen X, Bayliss DA: Motoneuronal TASK channels contribute to immobilizing effects of inhalational general anesthetics. J Neurosci. 2010 Jun 2;30(22):7691-704. doi: 10.1523/JNEUROSCI.1655-10.2010.@@Pandit JJ, Buckler KJ: Halothane and sevoflurane exert different degrees of inhibition on carotid body glomus cell intracellular Ca2+ response to hypoxia. Adv Exp Med Biol. 2010;669:201-4. doi: 10.1007/978-1-4419-5692-7_40." Approved; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists" [H]C(Cl)(Br)C(F)(F)F 9670 46506589 D00542 PA449845 DAP000692 Halothane CHEMBL931 5095 DB01159 Halothane BE0009972 ATP2B1 P23634 AT2B4_HUMAN inhibitor 7499320; 10814537 "Lopez MM, Kosk-Kosicka D: How do volatile anesthetics inhibit Ca(2+)-ATPases? J Biol Chem. 1995 Nov 24;270(47):28239-45.@@Brennan LK, Froemming GR, Ohlendieck K: Effect of halothane on the oligomerization of the sarcoplasmic reticulum Ca(2+)-ATPase. Biochem Biophys Res Commun. 2000 May 19;271(3):770-6. doi: 10.1006/bbrc.2000.2688." Approved; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists" [H]C(Cl)(Br)C(F)(F)F 9670 46506589 D00542 PA449845 DAP000692 Halothane CHEMBL931 5095 DB01159 Halothane BE0000553 KCNMA1 Q12791 KCMA1_HUMAN inhibitor 10794813; 10592235 "Namba T, Ishii TM, Ikeda M, Hisano T, Itoh T, Hirota K, Adelman JP, Fukuda K: Inhibition of the human intermediate conductance Ca(2+)-activated K(+) channel, hIK1, by volatile anesthetics. Eur J Pharmacol. 2000 Apr 28;395(2):95-101.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists" [H]C(Cl)(Br)C(F)(F)F 9670 46506589 D00542 PA449845 DAP000692 Halothane CHEMBL931 5095 DB01159 Halothane BE0000641 GRIN3A Q8TCU5 NMD3A_HUMAN antagonist 8968191 "Perouansky M, Kirson ED, Yaari Y: Halothane blocks synaptic excitation of inhibitory interneurons. Anesthesiology. 1996 Dec;85(6):1431-8; discussion 29A." Approved; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists" [H]C(Cl)(Br)C(F)(F)F 9670 46506589 D00542 PA449845 DAP000692 Halothane CHEMBL931 5095 DB01159 Halothane BE0000760 GRIN2A Q12879 NMDE1_HUMAN antagonist 8968191 "Perouansky M, Kirson ED, Yaari Y: Halothane blocks synaptic excitation of inhibitory interneurons. Anesthesiology. 1996 Dec;85(6):1431-8; discussion 29A." Approved; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists" [H]C(Cl)(Br)C(F)(F)F 9670 46506589 D00542 PA449845 DAP000692 Halothane CHEMBL931 5095 DB01159 Halothane BE0000433 GLRA1 P23415 GLRA1_HUMAN allosteric modulator 17139284; 17016423; 15287733 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Schofield CM, Trudell JR, Harrison NL: Alanine-scanning mutagenesis in the signature disulfide loop of the glycine receptor alpha 1 subunit: critical residues for activation and modulation. Biochemistry. 2004 Aug 10;43(31):10058-63." Approved; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists" [H]C(Cl)(Br)C(F)(F)F 9670 46506589 D00542 PA449845 DAP000692 Halothane CHEMBL931 5095 DB01159 Halothane BE0001030 KCNJ6 P48051 KCNJ6_HUMAN inhibitor 15175324; 16243998 "Milovic S, Steinecker-Frohnwieser B, Schreibmayer W, Weigl LG: The sensitivity of G protein-activated K+ channels toward halothane is essentially determined by the C terminus. J Biol Chem. 2004 Aug 13;279(33):34240-9. Epub 2004 Jun 2.@@Hara K, Yamakura T, Sata T, Harris RA: The effects of anesthetics and ethanol on alpha2 adrenoceptor subtypes expressed with G protein-coupled inwardly rectifying potassium channels in Xenopus oocytes. Anesth Analg. 2005 Nov;101(5):1381-8." Approved; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists" [H]C(Cl)(Br)C(F)(F)F 9670 46506589 D00542 PA449845 DAP000692 Halothane CHEMBL931 5095 DB01159 Halothane BE0001028 KCNJ3 P48549 KCNJ3_HUMAN inhibitor 11455015; 11465552; 15175324 "Weigl LG, Schreibmayer W: G protein-gated inwardly rectifying potassium channels are targets for volatile anesthetics. Mol Pharmacol. 2001 Aug;60(2):282-9.@@Yamakura T, Lewohl JM, Harris RA: Differential effects of general anesthetics on G protein-coupled inwardly rectifying and other potassium channels. Anesthesiology. 2001 Jul;95(1):144-53.@@Milovic S, Steinecker-Frohnwieser B, Schreibmayer W, Weigl LG: The sensitivity of G protein-activated K+ channels toward halothane is essentially determined by the C terminus. J Biol Chem. 2004 Aug 13;279(33):34240-9. Epub 2004 Jun 2." Approved; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists" [H]C(Cl)(Br)C(F)(F)F 9670 46506589 D00542 PA449845 DAP000692 Halothane CHEMBL931 5095 DB01159 Halothane BE0000795 GABRA1 P14867 GBRA1_HUMAN other/unknown 11897112; 12960553 "Nishikawa K, Jenkins A, Paraskevakis I, Harrison NL: Volatile anesthetic actions on the GABAA receptors: contrasting effects of alpha 1(S270) and beta 2(N265) point mutations. Neuropharmacology. 2002 Mar;42(3):337-45. doi: 10.1016/s0028-3908(01)00189-7.@@Nishikawa K, Harrison NL: The actions of sevoflurane and desflurane on the gamma-aminobutyric acid receptor type A: effects of TM2 mutations in the alpha and beta subunits. Anesthesiology. 2003 Sep;99(3):678-84. doi: 10.1097/00000542-200309000-00024." Approved; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists" [H]C(Cl)(Br)C(F)(F)F 9670 46506589 D00542 PA449845 DAP000692 Halothane CHEMBL931 5095 DB01159 Halothane BE0001080 GNG2 P59768 GBG2_HUMAN other/unknown 10913255; 11961592; 12657848; 12826849; 15175324 "Ishizawa Y, Sharp R, Liebman PA, Eckenhoff RG: Halothane binding to a G protein coupled receptor in retinal membranes by photoaffinity labeling. Biochemistry. 2000 Jul 25;39(29):8497-502.@@Zang WJ, Yu XJ, Zang YM: [Effect of halothane on the muscarinic potassium current of the heart]. Sheng Li Xue Bao. 2000 Apr;52(2):175-8.@@Yoshimura H, Jones KA, Perkins WJ, Warner DO: Dual effects of hexanol and halothane on the regulation of calcium sensitivity in airway smooth muscle. Anesthesiology. 2003 Apr;98(4):871-80.@@Streiff J, Jones K, Perkins WJ, Warner DO, Jones KA: Effect of halothane on the guanosine 5' triphosphate binding activity of G-protein alphai subunits. Anesthesiology. 2003 Jul;99(1):105-11.@@Milovic S, Steinecker-Frohnwieser B, Schreibmayer W, Weigl LG: The sensitivity of G protein-activated K+ channels toward halothane is essentially determined by the C terminus. J Biol Chem. 2004 Aug 13;279(33):34240-9. Epub 2004 Jun 2." Approved; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists" [H]C(Cl)(Br)C(F)(F)F 9670 46506589 D00542 PA449845 DAP000692 Halothane CHEMBL931 5095 DB01159 Halothane BE0000948 NPSR1 Q6W5P4 NPSR1_HUMAN other/unknown 10913255; 11961111; 12826849 "Ishizawa Y, Sharp R, Liebman PA, Eckenhoff RG: Halothane binding to a G protein coupled receptor in retinal membranes by photoaffinity labeling. Biochemistry. 2000 Jul 25;39(29):8497-502.@@Ishizawa Y, Pidikiti R, Liebman PA, Eckenhoff RG: G protein-coupled receptors as direct targets of inhaled anesthetics. Mol Pharmacol. 2002 May;61(5):945-52.@@Streiff J, Jones K, Perkins WJ, Warner DO, Jones KA: Effect of halothane on the guanosine 5' triphosphate binding activity of G-protein alphai subunits. Anesthesiology. 2003 Jul;99(1):105-11." Approved; Vet_approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists" [H]C(Cl)(Br)C(F)(F)F 9670 46506589 D00542 PA449845 DAP000692 Halothane CHEMBL931 5095 DB01161 Chloroprocaine BE0009738 SCN1A Q15858 SCN9A_HUMAN inhibitor 17175824 "Becker DE, Reed KL: Essentials of local anesthetic pharmacology. Anesth Prog. 2006 Fall;53(3):98-108; quiz 109-10. doi: 10.2344/0003-3006(2006)53[98:EOLAP]2.0.CO;2." Approved; Investigational Benzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Local Anesthesia; Sensory System Agents; Anesthetics, Local; Central Nervous System Agents; Central Nervous System Depressants; Benzoates; Acids, Carbocyclic; Cholinesterase substrates; Anesthetics; Esters of Aminobenzoic Acid; Nervous System; Local Anesthetics (Ester); Benzene Derivatives; Peripheral Nervous System Agents; para-Aminobenzoates; Aminobenzoates" CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1 Chloroprocaine Action Pathway drug_action 5999 46508245 D07678 PA448946 DAP000131 Chloroprocaine CHEMBL1179047 20859 DB01162 Terazosin BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Hypotensive Agents; P-glycoprotein inhibitors; Antihypertensive Agents Indicated for Hypertension; Urological Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Neurotransmitter Agents; Urologicals; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Adrenergic Agents; Genitourinary Agents; Quinazolines; Drugs Used in Benign Prostatic Hypertrophy" COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1CCCO1 1262 46509129 D08569 PA451612 DAP000371 Terazosin CHEMBL611 37798 DB01162 Terazosin BE0000984 TGFB1 P01137 TGFB1_HUMAN inducer 23518907; 11170131 "Papadopoulos G, Vlachodimitropoulos D, Kyroudi A, Kouloukoussa M, Perrea D, Mitropoulos D: Terazosin treatment induces caspase-3 expression in the rat ventral prostate. J Clin Med Res. 2013 Apr;5(2):127-31. doi: 10.4021/jocmr1215w. Epub 2013 Feb 25.@@Glassman DT, Chon JK, Borkowski A, Jacobs SC, Kyprianou N: Combined effect of terazosin and finasteride on apoptosis, cell proliferation, and transforming growth factor-beta expression in benign prostatic hyperplasia. Prostate. 2001 Jan 1;46(1):45-51." Approved N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Hypotensive Agents; P-glycoprotein inhibitors; Antihypertensive Agents Indicated for Hypertension; Urological Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Neurotransmitter Agents; Urologicals; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Adrenergic Agents; Genitourinary Agents; Quinazolines; Drugs Used in Benign Prostatic Hypertrophy" COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1CCCO1 1262 46509129 D08569 PA451612 DAP000371 Terazosin CHEMBL611 37798 DB01162 Terazosin BE0000699 KCNH7 Q9NS40 KCNH7_HUMAN inhibitor 15098086 "Thomas D, Wimmer AB, Wu K, Hammerling BC, Ficker EK, Kuryshev YA, Kiehn J, Katus HA, Schoels W, Karle CA: Inhibition of human ether-a-go-go-related gene potassium channels by alpha 1-adrenoceptor antagonists prazosin, doxazosin, and terazosin. Naunyn Schmiedebergs Arch Pharmacol. 2004 May;369(5):462-72. Epub 2004 Apr 20." Approved N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Hypotensive Agents; P-glycoprotein inhibitors; Antihypertensive Agents Indicated for Hypertension; Urological Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Neurotransmitter Agents; Urologicals; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Adrenergic Agents; Genitourinary Agents; Quinazolines; Drugs Used in Benign Prostatic Hypertrophy" COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1CCCO1 1262 46509129 D08569 PA451612 DAP000371 Terazosin CHEMBL611 37798 DB01164 Calcium chloride BE0000885 S100A13 Q99584 S10AD_HUMAN 16766622 "Sivaraja V, Kumar TK, Rajalingam D, Graziani I, Prudovsky I, Yu C: Copper binding affinity of S100A13, a key component of the FGF-1 nonclassical copper-dependent release complex. Biophys J. 2006 Sep 1;91(5):1832-43. Epub 2006 Jun 9." Approved Alkaline earth metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal salts; Alkaline earth metal chlorides Supplements; Blood Substitutes and Perfusion Solutions; Hemodialysis Solution; Calcium Salts; Acidifying Agents; I.V. Solution Additives; Replacement Preparations; Mineral Supplements; Blood and Blood Forming Organs; Chlorides; Urologicals; Chlorine Compounds; Calcium Compounds; Electrolyte Solutions; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism [Cl-].[Cl-].[Ca++] 51 46507257 PA448729 Calcium_chloride CHEMBL1200668 1667640 DB01165 Ofloxacin BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 2847647 "Divo AA, Sartorelli AC, Patton CL, Bia FJ: Activity of fluoroquinolone antibiotics against Plasmodium falciparum in vitro. Antimicrob Agents Chemother. 1988 Aug;32(8):1182-6." Approved Quinoline carboxylic acids Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids "QTc Prolonging Agents; Enzyme Inhibitors; Topoisomerase Inhibitors; Anti-Bacterial Agents; Quinolones; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; Quinolone Antimicrobial; Cytochrome P-450 Enzyme Inhibitors; Sensory Organs; Cytochrome P-450 CYP1A2 Inhibitors; Otologicals; Anti-Infective Agents, Urinary; Agents Causing Muscle Toxicity; Heterocyclic Compounds, Fused-Ring; Antibacterials for Systemic Use; BSEP/ABCB11 Substrates; Anti-Infective Agents; Topoisomerase II Inhibitors; Fluoroquinolones; Ophthalmologicals; Moderate Risk QTc-Prolonging Agents; Quinolines; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CC1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1 954 46507574 D00453 PA450684 DAP000655 Ofloxacin CHEMBL4 7623 DB01166 Cilostazol BE0000436 PDE3A Q14432 PDE3A_HUMAN inhibitor 11752352; 16472148; 12180353; 19218671; 18282775 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Hong KW, Lee JH, Kima KY, Park SY, Lee WS: Cilostazol: therapeutic potential against focal cerebral ischemic damage. Curr Pharm Des. 2006;12(5):565-73.@@Schror K: The pharmacology of cilostazol. Diabetes Obes Metab. 2002 Mar;4 Suppl 2:S14-9.@@Mokry J, Mokra D, Nosalova G, Beharkova M, Feherova Z: Influence of selective inhibitors of phosphodiesterase 3 and 4 on cough and airway reactivity. J Physiol Pharmacol. 2008 Dec;59 Suppl 6:473-82.@@Parkkonen J, Hasala H, Moilanen E, Giembycz MA, Kankaanranta H: Phosphodiesterase 4 inhibitors delay human eosinophil and neutrophil apoptosis in the absence and presence of salbutamol. Pulm Pharmacol Ther. 2008;21(3):499-506. doi: 10.1016/j.pupt.2007.11.003. Epub 2007 Nov 22." Approved; Investigational Hydroquinolones Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives "QTc Prolonging Agents; Enzyme Inhibitors; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Protective Agents; Agents producing tachycardia; Quinolines; Autonomic Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Platelet Aggregation Inhibitors Excl. Heparin; Bronchodilator Agents; Drugs that are Mainly Renally Excreted; Antiplatelet agents; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Blood and Blood Forming Organs; Tetrazoles; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Fibrin Modulating Agents; Peripheral Nervous System Agents; Phosphodiesterase Inhibitors; Compounds used in a research, industrial, or household setting; Central Nervous System Agents; Phosphodiesterase 3 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Neuroprotective Agents" O=C1CCC2=C(N1)C=CC(OCCCCC1=NN=NN1C1CCCCC1)=C2 Cilostazol Action Pathway drug_action 46506317 D01896 PA164746334 DAP000191 Cilostazol CHEMBL799 21107 DB01169 Arsenic trioxide BE0001154 IKBKB O14920 IKKB_HUMAN inducer 16230390; 16387740; 17450217; 11752352 "Ouyang W, Ma Q, Li J, Zhang D, Liu ZG, Rustgi AK, Huang C: Cyclin D1 induction through IkappaB kinase beta/nuclear factor-kappaB pathway is responsible for arsenite-induced increased cell cycle G1-S phase transition in human keratinocytes. Cancer Res. 2005 Oct 15;65(20):9287-93.@@Ouyang W, Li J, Ma Q, Huang C: Essential roles of PI-3K/Akt/IKKbeta/NFkappaB pathway in cyclin D1 induction by arsenite in JB6 Cl41 cells. Carcinogenesis. 2006 Apr;27(4):864-73. Epub 2005 Dec 29.@@Ouyang W, Zhang D, Ma Q, Li J, Huang C: Cyclooxygenase-2 induction by arsenite through the IKKbeta/NFkappaB pathway exerts an antiapoptotic effect in mouse epidermal Cl41 cells. Environ Health Perspect. 2007 Apr;115(4):513-8. Epub 2006 Dec 14.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Metalloid oxides Inorganic compounds; Mixed metal/non-metal compounds; Metalloid organides; Metalloid oxides Myelosuppressive Agents; QTc Prolonging Agents; Arsenicals; Hyperglycemia-Associated Agents; Hypotensive Agents; Oxides; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Oxygen Compounds O=[As]O[As]=O 3812 46506448 D02106 PA448486 DNC000255 Arsenic_trioxide CHEMBL1200978 18330 DB01169 Arsenic trioxide BE0001979 TXNRD1 Q16881 TRXR1_HUMAN inhibitor 17640917 "Lu J, Chew EH, Holmgren A: Targeting thioredoxin reductase is a basis for cancer therapy by arsenic trioxide. Proc Natl Acad Sci U S A. 2007 Jul 24;104(30):12288-93. Epub 2007 Jul 18." Approved; Investigational Metalloid oxides Inorganic compounds; Mixed metal/non-metal compounds; Metalloid organides; Metalloid oxides Myelosuppressive Agents; QTc Prolonging Agents; Arsenicals; Hyperglycemia-Associated Agents; Hypotensive Agents; Oxides; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Oxygen Compounds O=[As]O[As]=O 3812 46506448 D02106 PA448486 DNC000255 Arsenic_trioxide CHEMBL1200978 18330 DB01169 Arsenic trioxide BE0000923 MAPK1 P28482 MK01_HUMAN inducer 12426127; 12529330 "Dong Z: The molecular mechanisms of arsenic-induced cell transformation and apoptosis. Environ Health Perspect. 2002 Oct;110 Suppl 5:757-9.@@He Z, Ma WY, Liu G, Zhang Y, Bode AM, Dong Z: Arsenite-induced phosphorylation of histone H3 at serine 10 is mediated by Akt1, extracellular signal-regulated kinase 2, and p90 ribosomal S6 kinase 2 but not mitogen- and stress-activated protein kinase 1. J Biol Chem. 2003 Mar 21;278(12):10588-93. Epub 2003 Jan 14." Approved; Investigational Metalloid oxides Inorganic compounds; Mixed metal/non-metal compounds; Metalloid organides; Metalloid oxides Myelosuppressive Agents; QTc Prolonging Agents; Arsenicals; Hyperglycemia-Associated Agents; Hypotensive Agents; Oxides; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Oxygen Compounds O=[As]O[As]=O 3812 46506448 D02106 PA448486 DNC000255 Arsenic_trioxide CHEMBL1200978 18330 DB01169 Arsenic trioxide BE0000428 AKT1 P31749 AKT1_HUMAN inducer 12472888; 12529330; 15580309; 15916724; 16239170 "Fauconneau B, Petegnief V, Sanfeliu C, Piriou A, Planas AM: Induction of heat shock proteins (HSPs) by sodium arsenite in cultured astrocytes and reduction of hydrogen peroxide-induced cell death. J Neurochem. 2002 Dec;83(6):1338-48.@@He Z, Ma WY, Liu G, Zhang Y, Bode AM, Dong Z: Arsenite-induced phosphorylation of histone H3 at serine 10 is mediated by Akt1, extracellular signal-regulated kinase 2, and p90 ribosomal S6 kinase 2 but not mitogen- and stress-activated protein kinase 1. J Biol Chem. 2003 Mar 21;278(12):10588-93. Epub 2003 Jan 14.@@Ivanov VN, Hei TK: Combined treatment with EGFR inhibitors and arsenite upregulated apoptosis in human EGFR-positive melanomas: a role of suppression of the PI3K-AKT pathway. Oncogene. 2005 Jan 20;24(4):616-26.@@Wang ZX, Jiang CS, Liu L, Wang XH, Jin HJ, Wu Q, Chen Q: The role of Akt on arsenic trioxide suppression of 3T3-L1 preadipocyte differentiation. Cell Res. 2005 May;15(5):379-86.@@Tsou TC, Tsai FY, Hsieh YW, Li LA, Yeh SC, Chang LW: Arsenite induces endothelial cytotoxicity by down-regulation of vascular endothelial nitric oxide synthase. Toxicol Appl Pharmacol. 2005 Nov 1;208(3):277-84." Approved; Investigational Metalloid oxides Inorganic compounds; Mixed metal/non-metal compounds; Metalloid organides; Metalloid oxides Myelosuppressive Agents; QTc Prolonging Agents; Arsenicals; Hyperglycemia-Associated Agents; Hypotensive Agents; Oxides; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Oxygen Compounds O=[As]O[As]=O 3812 46506448 D02106 PA448486 DNC000255 Arsenic_trioxide CHEMBL1200978 18330 DB01169 Arsenic trioxide BE0002365 HDAC1 Q13547 HDAC1_HUMAN 20074581 "Huang HS, Liu ZM, Hong DY: Blockage of JNK pathway enhances arsenic trioxide-induced apoptosis in human keratinocytes. Toxicol Appl Pharmacol. 2010 Apr 15;244(2):234-41. doi: 10.1016/j.taap.2009.12.037. Epub 2010 Jan 11." Approved; Investigational Metalloid oxides Inorganic compounds; Mixed metal/non-metal compounds; Metalloid organides; Metalloid oxides Myelosuppressive Agents; QTc Prolonging Agents; Arsenicals; Hyperglycemia-Associated Agents; Hypotensive Agents; Oxides; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Oxygen Compounds O=[As]O[As]=O 3812 46506448 D02106 PA448486 DNC000255 Arsenic_trioxide CHEMBL1200978 18330 DB01169 Arsenic trioxide BE0005808 PML P29590 PML_HUMAN 20378816 "Zhang XW, Yan XJ, Zhou ZR, Yang FF, Wu ZY, Sun HB, Liang WX, Song AX, Lallemand-Breitenbach V, Jeanne M, Zhang QY, Yang HY, Huang QH, Zhou GB, Tong JH, Zhang Y, Wu JH, Hu HY, de The H, Chen SJ, Chen Z: Arsenic trioxide controls the fate of the PML-RARalpha oncoprotein by directly binding PML. Science. 2010 Apr 9;328(5975):240-3. doi: 10.1126/science.1183424." Approved; Investigational Metalloid oxides Inorganic compounds; Mixed metal/non-metal compounds; Metalloid organides; Metalloid oxides Myelosuppressive Agents; QTc Prolonging Agents; Arsenicals; Hyperglycemia-Associated Agents; Hypotensive Agents; Oxides; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Oxygen Compounds O=[As]O[As]=O 3812 46506448 D02106 PA448486 DNC000255 Arsenic_trioxide CHEMBL1200978 18330 DB01173 Orphenadrine BE0000396 GRIN2D O15399 NMDE4_HUMAN antagonist 17139284; 17016423; 8788072 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kornhuber J, Parsons CG, Hartmann S, Retz W, Kamolz S, Thome J, Riederer P: Orphenadrine is an uncompetitive N-methyl-D-aspartate (NMDA) receptor antagonist: binding and patch clamp studies. J Neural Transm Gen Sect. 1995;102(3):237-46." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Miscellaneous Skeletal Muscle Relaxants; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Agents producing tachycardia; Benzene Derivatives; Cholinergic Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Autonomic Agents; Muscle Relaxants, Centrally Acting Agents; Cytochrome P-450 CYP2B6 Inhibitors (strong); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Muscle Relaxants; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Musculo-Skeletal System; Anti-Parkinson Drugs; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Ethers, Chemically Close to Antihistamines; Peripheral Nervous System Agents; Parasympatholytics; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Benzhydryl Compounds; Ethylamines; Centrally-mediated Muscle Relaxation; Anti-Dyskinesia Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C Orphenadrine H1-Antihistamine Action drug_action 10171 46506085 D08305 PA450715 DAP000858 Orphenadrine CHEMBL900 7715 DB01173 Orphenadrine BE0000365 GRIN1 Q05586 NMDZ1_HUMAN antagonist 17139284; 17016423; 8788072 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kornhuber J, Parsons CG, Hartmann S, Retz W, Kamolz S, Thome J, Riederer P: Orphenadrine is an uncompetitive N-methyl-D-aspartate (NMDA) receptor antagonist: binding and patch clamp studies. J Neural Transm Gen Sect. 1995;102(3):237-46." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Miscellaneous Skeletal Muscle Relaxants; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Agents producing tachycardia; Benzene Derivatives; Cholinergic Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Autonomic Agents; Muscle Relaxants, Centrally Acting Agents; Cytochrome P-450 CYP2B6 Inhibitors (strong); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Muscle Relaxants; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Musculo-Skeletal System; Anti-Parkinson Drugs; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Ethers, Chemically Close to Antihistamines; Peripheral Nervous System Agents; Parasympatholytics; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Benzhydryl Compounds; Ethylamines; Centrally-mediated Muscle Relaxation; Anti-Dyskinesia Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C Orphenadrine H1-Antihistamine Action drug_action 10171 46506085 D08305 PA450715 DAP000858 Orphenadrine CHEMBL900 7715 DB01173 Orphenadrine BE0000641 GRIN3A Q8TCU5 NMD3A_HUMAN antagonist 17139284; 17016423; 8788072 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kornhuber J, Parsons CG, Hartmann S, Retz W, Kamolz S, Thome J, Riederer P: Orphenadrine is an uncompetitive N-methyl-D-aspartate (NMDA) receptor antagonist: binding and patch clamp studies. J Neural Transm Gen Sect. 1995;102(3):237-46." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Miscellaneous Skeletal Muscle Relaxants; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Agents producing tachycardia; Benzene Derivatives; Cholinergic Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Autonomic Agents; Muscle Relaxants, Centrally Acting Agents; Cytochrome P-450 CYP2B6 Inhibitors (strong); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Muscle Relaxants; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Musculo-Skeletal System; Anti-Parkinson Drugs; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Ethers, Chemically Close to Antihistamines; Peripheral Nervous System Agents; Parasympatholytics; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Benzhydryl Compounds; Ethylamines; Centrally-mediated Muscle Relaxation; Anti-Dyskinesia Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C Orphenadrine H1-Antihistamine Action drug_action 10171 46506085 D08305 PA450715 DAP000858 Orphenadrine CHEMBL900 7715 DB01173 Orphenadrine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 17139284; 17016423; 2578597 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Rumore MM, Schlichting DA: Analgesic effects of antihistaminics. Life Sci. 1985 Feb 4;36(5):403-16." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Miscellaneous Skeletal Muscle Relaxants; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Agents producing tachycardia; Benzene Derivatives; Cholinergic Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Autonomic Agents; Muscle Relaxants, Centrally Acting Agents; Cytochrome P-450 CYP2B6 Inhibitors (strong); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Muscle Relaxants; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Musculo-Skeletal System; Anti-Parkinson Drugs; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Ethers, Chemically Close to Antihistamines; Peripheral Nervous System Agents; Parasympatholytics; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Benzhydryl Compounds; Ethylamines; Centrally-mediated Muscle Relaxation; Anti-Dyskinesia Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C Orphenadrine H1-Antihistamine Action drug_action 10171 46506085 D08305 PA450715 DAP000858 Orphenadrine CHEMBL900 7715 DB01174 Phenobarbital BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 14579514; 10209232; 11264449; 10487207; 2871724; 17139284; 17016423 "Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Macdonald RL, McLean MJ: Anticonvulsant drugs: mechanisms of action. Adv Neurol. 1986;44:713-36.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved; Investigational Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives UGT1A1 Inducers; BSEP/ABCB11 inducers; Nicotinic Antagonists; Cytochrome P-450 CYP2E1 Inducers (weak); Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP3A7 Inducers; Excitatory Amino Acid Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP3A5 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Psycholeptics; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2B6 Inducers; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Inducers; GABA Modulators; UGT2B7 inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Inducers (strong); Cytochrome P-450 CYP2C18 Substrates; Barbiturates; Methemoglobinemia Associated Agents; Pyrimidinones; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Chemically-Induced Disorders; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong) CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1 8280 46505776 D00506 PA450911 DAP000061 Phenobarbital CHEMBL40 8134 DB01174 Phenobarbital BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 11264449; 16248797; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Investigational Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives UGT1A1 Inducers; BSEP/ABCB11 inducers; Nicotinic Antagonists; Cytochrome P-450 CYP2E1 Inducers (weak); Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP3A7 Inducers; Excitatory Amino Acid Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP3A5 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Psycholeptics; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2B6 Inducers; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Inducers; GABA Modulators; UGT2B7 inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Inducers (strong); Cytochrome P-450 CYP2C18 Substrates; Barbiturates; Methemoglobinemia Associated Agents; Pyrimidinones; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Chemically-Induced Disorders; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong) CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1 8280 46505776 D00506 PA450911 DAP000061 Phenobarbital CHEMBL40 8134 DB01174 Phenobarbital BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207; 20051697 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Jin LJ, Schlesinger F, Song YP, Dengler R, Krampfl K: The interaction of the neuroprotective compounds riluzole and phenobarbital with AMPA-type glutamate receptors: a patch-clamp study. Pharmacology. 2010;85(1):54-62. doi: 10.1159/000268641. Epub 2009 Dec 23." Approved; Investigational Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives UGT1A1 Inducers; BSEP/ABCB11 inducers; Nicotinic Antagonists; Cytochrome P-450 CYP2E1 Inducers (weak); Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP3A7 Inducers; Excitatory Amino Acid Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP3A5 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Psycholeptics; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2B6 Inducers; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Inducers; GABA Modulators; UGT2B7 inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Inducers (strong); Cytochrome P-450 CYP2C18 Substrates; Barbiturates; Methemoglobinemia Associated Agents; Pyrimidinones; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Chemically-Induced Disorders; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong) CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1 8280 46505776 D00506 PA450911 DAP000061 Phenobarbital CHEMBL40 8134 DB01174 Phenobarbital BE0000826 GRIK2 Q13002 GRIK2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Investigational Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives UGT1A1 Inducers; BSEP/ABCB11 inducers; Nicotinic Antagonists; Cytochrome P-450 CYP2E1 Inducers (weak); Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP3A7 Inducers; Excitatory Amino Acid Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP3A5 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Psycholeptics; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2B6 Inducers; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Inducers; GABA Modulators; UGT2B7 inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Inducers (strong); Cytochrome P-450 CYP2C18 Substrates; Barbiturates; Methemoglobinemia Associated Agents; Pyrimidinones; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Chemically-Induced Disorders; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong) CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1 8280 46505776 D00506 PA450911 DAP000061 Phenobarbital CHEMBL40 8134 DB01175 Escitalopram BE0000442 HRH1 P35367 HRH1_HUMAN inhibitor 24424469 "Sanchez C, Reines EH, Montgomery SA: A comparative review of escitalopram, paroxetine, and sertraline: Are they all alike? Int Clin Psychopharmacol. 2014 Jul;29(4):185-96. doi: 10.1097/YIC.0000000000000023." Approved Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines "Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Psychoanaleptics; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Antidepressive Agents Indicated for Depression; Nitriles; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Benzofurans; Nervous System; Antidepressive Agents, Second-Generation; Propylamines" CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 Escitalopram Action Pathway drug_action 13585 46507040 PA10074 DAP000741 Escitalopram CHEMBL1508 321988 DB01175 Escitalopram BE0004863 ADRA1A P25100 ADA1D_HUMAN inhibitor 24424469 "Sanchez C, Reines EH, Montgomery SA: A comparative review of escitalopram, paroxetine, and sertraline: Are they all alike? Int Clin Psychopharmacol. 2014 Jul;29(4):185-96. doi: 10.1097/YIC.0000000000000023." Approved Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines "Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Psychoanaleptics; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Antidepressive Agents Indicated for Depression; Nitriles; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Benzofurans; Nervous System; Antidepressive Agents, Second-Generation; Propylamines" CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 Escitalopram Action Pathway drug_action 13585 46507040 PA10074 DAP000741 Escitalopram CHEMBL1508 321988 DB01175 Escitalopram BE0000533 HTR2C P28335 5HT2C_HUMAN inhibitor 24424469 "Sanchez C, Reines EH, Montgomery SA: A comparative review of escitalopram, paroxetine, and sertraline: Are they all alike? Int Clin Psychopharmacol. 2014 Jul;29(4):185-96. doi: 10.1097/YIC.0000000000000023." Approved Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines "Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Psychoanaleptics; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Antidepressive Agents Indicated for Depression; Nitriles; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Benzofurans; Nervous System; Antidepressive Agents, Second-Generation; Propylamines" CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 Escitalopram Action Pathway drug_action 13585 46507040 PA10074 DAP000741 Escitalopram CHEMBL1508 321988 DB01176 Cyclizine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11752352; 1983158 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Leza JC, Lizasoain I, Lorenzo P: H1- and H2-histamine receptor blockers and opiate analgesia in mice. Methods Find Exp Clin Pharmacol. 1990 Dec;12(10):671-8." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes QTc Prolonging Agents; Piperazines; Histamine H1 Antagonists; Gastrointestinal Agents; Autonomic Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Potential QTc-Prolonging Agents; Piperazine Derivatives; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Peripheral Nervous System Agents; Central Nervous System Agents; Neurotransmitter Agents; Antiemetics; Antihistamines for Systemic Use; Histamine Agents CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1 Cyclizine H1-Antihistamine Action drug_action 9109 46506232 D03621 PA164742937 DAP000337 Cyclizine CHEMBL648 2977 DB01177 Idarubicin BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 12034365; 10523799; 10203104; 11836027; 8036155; 11752352 "Willmore E, Errington F, Tilby MJ, Austin CA: Formation and longevity of idarubicin-induced DNA topoisomerase II cleavable complexes in K562 human leukaemia cells. Biochem Pharmacol. 2002 May 15;63(10):1807-15.@@Zhou R, Wang Y, Gruber A, Larsson R, Castanos-Velez E, Liliemark E: Topoisomerase II-mediated alterations of K562 drug resistant sublines. Med Oncol. 1999 Sep;16(3):191-8.@@De Renzo A, Santoro LF, Notaro R, Pane F, Buonaiuto MR, Luciano L, Rotoli B: Acute promyelocytic leukemia after treatment for non-Hodgkin's lymphoma with drugs targeting topoisomerase II. Am J Hematol. 1999 Apr;60(4):300-4.@@Gonzalez-Cid M, Fundia AF, Cuello MT, Larripa I: Correlation between chromosome damage and apoptosis induced by fludarabine and idarubicin in normal human lymphocytes. Toxicology. 2002 Feb 28;171(2-3):215-22.@@Bigioni M, Zunino F, Capranico G: Base mutation analysis of topoisomerase II-idarubicin-DNA ternary complex formation. Evidence for enzyme subunit cooperativity in DNA cleavage. Nucleic Acids Res. 1994 Jun 25;22(12):2274-81.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Anthracyclines Organic compounds; Phenylpropanoids and polyketides; Anthracyclines "Cytotoxic Antibiotics and Related Substances; Myelosuppressive Agents; Glycosides; Enzyme Inhibitors; Carbohydrates; Topoisomerase Inhibitors; Naphthacenes; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Cytochrome P-450 CYP2D6 Substrates; Antibiotics, Antineoplastic; Anthracyclines and Related Substances; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Topoisomerase II Inhibitors; Anthracyclines; Cytochrome P-450 CYP2C9 Substrates; Anthracycline Topoisomerase Inhibitor; Narrow Therapeutic Index Drugs" C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O 1745 46506973 PA449961 DAP000050 Idarubicin CHEMBL1117 5650 DB01179 Podofilox BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 10783066; 1331331; 1334447; 16061385; 1845848; 11752352 "Iida A, Kano M, Kubota Y, Koga K, Tomioka K: Podophyllotoxin aza-analogue, a novel DNA topoisomerase II inhibitor. Chem Pharm Bull (Tokyo). 2000 Apr;48(4):486-9.@@Zhang YL, Shen YC, Wang ZQ, Chen HX, Guo X, Cheng YC, Lee KH: Antitumor agents, 130, Novel 4 beta-arylamino derivatives of 3',4'-didemethoxy-3',4'-dioxo-4-deoxypodophyllotoxin as potent inhibitors of human DNA topoisomerase II. J Nat Prod. 1992 Aug;55(8):1100-11.@@Terada T, Fujimoto K, Nomura M, Yamashita J, Kobunai T, Takeda S, Wierzba K, Yamada Y, Yamaguchi H: Antitumor agents. I. DNA topoisomerase II inhibitory activity and the structural relationship of podophyllotoxin derivatives as antitumor agents. Chem Pharm Bull (Tokyo). 1992 Oct;40(10):2720-7.@@Kamal A, Gayatri NL, Reddy DR, Mohan Reddy PS, Arifuddin M, Dastidar SG, Kondapi AK, Rajkumar M: Synthesis and biological evaluation of new 4beta-anilino- and 4beta-imido-substituted podophyllotoxin congeners. Bioorg Med Chem. 2005 Nov 15;13(22):6218-25. Epub 2005 Aug 2.@@Ruckdeschel JC: Etoposide in the management of non-small cell lung cancer. Cancer. 1991 Jan 1;67(1 Suppl):250-3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Podophyllotoxins "Organic compounds; Lignans, neolignans and related compounds; Lignan lactones; Podophyllotoxins" "Mitosis Modulators; Tubulin Modulators; Lignans; Antiviral Agents; Decreased Mitosis; Antimitotic Agents; Naphthalenes; Tetrahydronaphthalenes; Antineoplastic Agents, Phytogenic; Benzyl Compounds; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Benzene Derivatives; Keratolytic Agents" [H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(OC)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@@H]2O 910 46505716 PA450993 DNC001139 Podophyllotoxin CHEMBL61 8463 DB01183 Naloxone BE0000770 OPRM1 P35372 OPRM_HUMAN antagonist 12566163; 12799988; 12842269; 12887410; 12909198; 11752352; 18354714; 17918759; 17367258; 17161885; 17097763 "Narita M, Suzuki M, Mizoguchi H, Narita M, Yajima Y, Sakurada S, Tseng LF, Suzuki T: Up-regulation of mu-opioid receptor-mediated G-protein activation in protein kinase Cgamma knockout mice following repeated naloxone treatment. Neurosci Lett. 2003 Feb 27;338(2):103-6.@@Freye E, Latasch L, Von Bredow G, Neruda B: [The opioid tramadol demonstrates excitatory properties of non-opioid character--a preclinical study using alfentanil as a comparison]. Schmerz. 1998 Feb 28;12(1):19-24.@@Neal CR Jr, Owens CE, Taylor LP, Hoversten MT, Akil H, Watson SJ Jr: Binding and GTPgammaS autoradiographic analysis of preproorphanin precursor peptide products at the ORL1 and opioid receptors. J Chem Neuroanat. 2003 Jul;25(4):233-47.@@Spetea M, Toth F, Schutz J, Otvos F, Toth G, Benyhe S, Borsodi A, Schmidhammer H: Binding characteristics of [3H]14-methoxymetopon, a high affinity mu-opioid receptor agonist. Eur J Neurosci. 2003 Jul;18(2):290-5.@@Marek GJ: Behavioral evidence for mu-opioid and 5-HT2A receptor interactions. Eur J Pharmacol. 2003 Aug 1;474(1):77-83.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Helm S, Trescot AM, Colson J, Sehgal N, Silverman S: Opioid antagonists, partial agonists, and agonists/antagonists: the role of office-based detoxification. Pain Physician. 2008 Mar-Apr;11(2):225-35.@@Goodman AJ, Le Bourdonnec B, Dolle RE: Mu opioid receptor antagonists: recent developments. ChemMedChem. 2007 Nov;2(11):1552-70.@@van Dorp E, Yassen A, Dahan A: Naloxone treatment in opioid addiction: the risks and benefits. Expert Opin Drug Saf. 2007 Mar;6(2):125-32.@@Nazzaro C, Rizzi A, Salvadori S, Guerrini R, Regoli D, Zeilhofer HU, Calo G: UFP-101 antagonizes the spinal antinociceptive effects of nociceptin/orphanin FQ: behavioral and electrophysiological studies in mice. Peptides. 2007 Mar;28(3):663-9. doi: 10.1016/j.peptides.2006.11.004. Epub 2006 Dec 11.@@Economidou D, Fedeli A, Fardon RM, Weiss F, Massi M, Ciccocioppo R: Effect of novel nociceptin/orphanin FQ-NOP receptor ligands on ethanol drinking in alcohol-preferring msP rats. Peptides. 2006 Dec;27(12):3299-306. doi: 10.1016/j.peptides.2006.09.007." Approved; Vet_approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Opioid Antagonists; Natural Opium Alkaloids; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peripheral Opioid Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2C18 Substrates; Phenanthrenes; Morphinans; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Opiate Alkaloids; Opiate Antagonists; Drugs for Constipation" OC1=CC=C2C[C@H]3N(CC=C)CC[C@@]45[C@@H](OC1=C24)C(=O)CC[C@@]35O Naloxone Action Pathway drug_action 20137 46508816 D08249 PA450586 DAP000097 Naloxone CHEMBL80 7242 DB01183 Naloxone BE0000420 OPRD1 P41143 OPRD_HUMAN antagonist 12650833; 12657847; 12749773; 14646257; 14708857; 18354714; 17367258 "Moncada A, Cendan CM, Baeyens JM, Del Pozo E: Effects of serine/threonine protein phosphatase inhibitors on morphine-induced antinociception in the tail flick test in mice. Eur J Pharmacol. 2003 Mar 28;465(1-2):53-60.@@Kakinohana M, Marsala M, Carter C, Davison JK, Yaksh TL: Neuraxial morphine may trigger transient motor dysfunction after a noninjurious interval of spinal cord ischemia: a clinical and experimental study. Anesthesiology. 2003 Apr;98(4):862-70.@@Breljak D, Boranic M, Horvat S: Oligopeptide fragments of the enkephalin molecule interfere with hematopoietic cell colony formation. Int J Immunopathol Pharmacol. 2000 Jan-Apr;13(1):13-19.@@Chudapongse N, Kim SY, Kramer RE, Ho IK: Nonspecific effects of the selective kappa-opioid receptor agonist U-50,488H on dopamine uptake and release in PC12 cells. J Pharmacol Sci. 2003 Nov;93(3):372-5.@@Osman AM, Gomma M, Saad AH: A possible role for an enkephalinergic system in the internal defense mechanism of Biomphalaria alexandrina exposed to Schistosoma mansoni. J Egypt Soc Parasitol. 2003 Dec;33(3):841-61.@@Helm S, Trescot AM, Colson J, Sehgal N, Silverman S: Opioid antagonists, partial agonists, and agonists/antagonists: the role of office-based detoxification. Pain Physician. 2008 Mar-Apr;11(2):225-35.@@van Dorp E, Yassen A, Dahan A: Naloxone treatment in opioid addiction: the risks and benefits. Expert Opin Drug Saf. 2007 Mar;6(2):125-32." Approved; Vet_approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Opioid Antagonists; Natural Opium Alkaloids; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peripheral Opioid Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2C18 Substrates; Phenanthrenes; Morphinans; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Opiate Alkaloids; Opiate Antagonists; Drugs for Constipation" OC1=CC=C2C[C@H]3N(CC=C)CC[C@@]45[C@@H](OC1=C24)C(=O)CC[C@@]35O Naloxone Action Pathway drug_action 20137 46508816 D08249 PA450586 DAP000097 Naloxone CHEMBL80 7242 DB01183 Naloxone BE0000958 CREB1 P16220 CREB1_HUMAN other/unknown 12956944; 12969258; 14653953; 15953421; 16417577 "Li J, Li YH, Yuan XR: Changes of phosphorylation of cAMP response element binding protein in rat nucleus accumbens after chronic ethanol intake: naloxone reversal. Acta Pharmacol Sin. 2003 Sep;24(9):930-6.@@Chartoff EH, Papadopoulou M, Konradi C, Carlezon WA Jr: Dopamine-dependent increases in phosphorylation of cAMP response element binding protein (CREB) during precipitated morphine withdrawal in primary cultures of rat striatum. J Neurochem. 2003 Oct;87(1):107-18.@@Gao C, Chen LW, Tao YM, Chen J, Xu XJ, Chi ZQ: Effects of ohmefentanyl stereoisomers on phosphorylation of cAMP- response element binding protein in cultured rat hippocampal neurons. Acta Pharmacol Sin. 2003 Dec;24(12):1253-8.@@Walters CL, Cleck JN, Kuo YC, Blendy JA: Mu-opioid receptor and CREB activation are required for nicotine reward. Neuron. 2005 Jun 16;46(6):933-43.@@Hawes JJ, Narasimhaiah R, Picciotto MR: Galanin attenuates cyclic AMP regulatory element-binding protein (CREB) phosphorylation induced by chronic morphine and naloxone challenge in Cath.a cells and primary striatal cultures. J Neurochem. 2006 Feb;96(4):1160-8. Epub 2006 Jan 17." Approved; Vet_approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Opioid Antagonists; Natural Opium Alkaloids; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peripheral Opioid Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2C18 Substrates; Phenanthrenes; Morphinans; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Opiate Alkaloids; Opiate Antagonists; Drugs for Constipation" OC1=CC=C2C[C@H]3N(CC=C)CC[C@@]45[C@@H](OC1=C24)C(=O)CC[C@@]35O Naloxone Action Pathway drug_action 20137 46508816 D08249 PA450586 DAP000097 Naloxone CHEMBL80 7242 DB01183 Naloxone BE0000123 ESR1 P03372 ESR1_HUMAN antagonist 16546975 "Farooqui M, Geng ZH, Stephenson EJ, Zaveri N, Yee D, Gupta K: Naloxone acts as an antagonist of estrogen receptor activity in MCF-7 cells. Mol Cancer Ther. 2006 Mar;5(3):611-20." Approved; Vet_approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Opioid Antagonists; Natural Opium Alkaloids; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peripheral Opioid Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2C18 Substrates; Phenanthrenes; Morphinans; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Opiate Alkaloids; Opiate Antagonists; Drugs for Constipation" OC1=CC=C2C[C@H]3N(CC=C)CC[C@@]45[C@@H](OC1=C24)C(=O)CC[C@@]35O Naloxone Action Pathway drug_action 20137 46508816 D08249 PA450586 DAP000097 Naloxone CHEMBL80 7242 DB01184 Domperidone BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 8301582 "Freedman SB, Patel S, Marwood R, Emms F, Seabrook GR, Knowles MR, McAllister G: Expression and pharmacological characterization of the human D3 dopamine receptor. J Pharmacol Exp Ther. 1994 Jan;268(1):417-26." Approved; Investigational; Vet_approved Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles "QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Dopamine Antagonists; P-glycoprotein substrates; Alimentary Tract and Metabolism; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Prokinetic Agents; Cytochrome P-450 CYP3A4 Substrates; Propulsives; Peripheral Nervous System Agents; Piperidines; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Antiemetics; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Benzimidazoles" ClC1=CC2=C(C=C1)N(C1CCN(CCCN3C(=O)NC4=CC=CC=C34)CC1)C(=O)N2 1840 46508314 D01745 PA134711056 DAP001368 Domperidone CHEMBL219916 3626 DB01185 Fluoxymesterone BE0000132 AR P10275 ANDR_HUMAN agonist 8119180; 2521824; 6439037; 17023534; 10077001; 11752352 "Fernandez L, Chirino R, Boada LD, Navarro D, Cabrera N, del Rio I, Diaz-Chico BN: Stanozolol and danazol, unlike natural androgens, interact with the low affinity glucocorticoid-binding sites from male rat liver microsomes. Endocrinology. 1994 Mar;134(3):1401-8. doi: 10.1210/endo.134.3.8119180.@@Kasperk CH, Wergedal JE, Farley JR, Linkhart TA, Turner RT, Baylink DJ: Androgens directly stimulate proliferation of bone cells in vitro. Endocrinology. 1989 Mar;124(3):1576-8.@@Smallridge RC, Vigersky R, Glass AR, Griffin JE, White BJ, Eil C: Androgen receptor abnormalities in identical twins with oligospermia. Clinical and biochemical studies. Am J Med. 1984 Dec;77(6):1049-54.@@Miner JN, Chang W, Chapman MS, Finn PD, Hong MH, Lopez FJ, Marschke KB, Rosen J, Schrader W, Turner R, van Oeveren A, Viveros H, Zhi L, Negro-Vilar A: An orally active selective androgen receptor modulator is efficacious on bone, muscle, and sex function with reduced impact on prostate. Endocrinology. 2007 Jan;148(1):363-73. Epub 2006 Oct 5.@@Kemppainen JA, Langley E, Wong CI, Bobseine K, Kelce WR, Wilson EM: Distinguishing androgen receptor agonists and antagonists: distinct mechanisms of activation by medroxyprogesterone acetate and dihydrotestosterone. Mol Endocrinol. 1999 Mar;13(3):440-54.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Illicit Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Fused-Ring Compounds; Steroids, Fluorinated; Androgens; Androstenols; 3-Oxoandrosten (4) Derivatives; Androstanes; Hormones; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Anabolic Agents; Steroids; Androstenes; Androstenediols; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7460 46508867 D00327 PA164744518 DAP000904 Fluoxymesterone CHEMBL1445 4494 DB01185 Fluoxymesterone BE0000123 ESR1 P03372 ESR1_HUMAN antagonist 16538529; 10637238; 7044524; 8622076; 3058238 "Ingle JN, Suman VJ, Mailliard JA, Kugler JW, Krook JE, Michalak JC, Pisansky TM, Wold LE, Donohue JH, Goetz MP, Perez EA: Randomized trial of tamoxifen alone or combined with fluoxymesterone as adjuvant therapy in postmenopausal women with resected estrogen receptor positive breast cancer. North Central Cancer Treatment Group Trial 89-30-52. Breast Cancer Res Treat. 2006 Jul;98(2):217-22. Epub 2006 Mar 15.@@Sledge GW Jr, Hu P, Falkson G, Tormey D, Abeloff M: Comparison of chemotherapy with chemohormonal therapy as first-line therapy for metastatic, hormone-sensitive breast cancer: An Eastern Cooperative Oncology Group study. J Clin Oncol. 2000 Jan;18(2):262-6.@@Pearson OH, Manni A, Arafah BM: Antiestrogen treatment of breast cancer: an overview. Cancer Res. 1982 Aug;42(8 Suppl):3424s-3429s.@@Perloff M, Norton L, Korzun AH, Wood WC, Carey RW, Gottlieb A, Aust JC, Bank A, Silver RT, Saleh F, Canellos GP, Perry MC, Weiss RB, Holland JF: Postsurgical adjuvant chemotherapy of stage II breast carcinoma with or without crossover to a non-cross-resistant regimen: a Cancer and Leukemia Group B study. J Clin Oncol. 1996 May;14(5):1589-98.@@Swain SM, Steinberg SM, Bagley C, Lippman ME: Tamoxifen and fluoxymesterone versus tamoxifen and danazol in metastatic breast cancer--a randomized study. Breast Cancer Res Treat. 1988 Sep;12(1):51-7." Approved; Illicit Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Fused-Ring Compounds; Steroids, Fluorinated; Androgens; Androstenols; 3-Oxoandrosten (4) Derivatives; Androstanes; Hormones; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Anabolic Agents; Steroids; Androstenes; Androstenediols; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7460 46508867 D00327 PA164744518 DAP000904 Fluoxymesterone CHEMBL1445 4494 DB01185 Fluoxymesterone BE0000794 NR3C1 P04150 GCR_HUMAN antagonist 173192 "Mayer M, Rosen F: Interaction of anabolic steroids with glucocorticoid receptor sites in rat muscle cytosol. Am J Physiol. 1975 Nov;229(5):1381-6." Approved; Illicit Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Fused-Ring Compounds; Steroids, Fluorinated; Androgens; Androstenols; 3-Oxoandrosten (4) Derivatives; Androstanes; Hormones; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Anabolic Agents; Steroids; Androstenes; Androstenediols; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7460 46508867 D00327 PA164744518 DAP000904 Fluoxymesterone CHEMBL1445 4494 DB01186 Pergolide BE0000581 DRD3 P35462 DRD3_HUMAN agonist 18691132; 10641988; 1683537 "Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.@@Wachtel H: Antiparkinsonian dopamine agonists: a review of the pharmacokinetics and neuropharmacology in animals and humans. J Neural Transm Park Dis Dement Sect. 1991;3(3):151-201." Approved; Investigational; Vet_approved; Withdrawn Indoloquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines "Adrenergic alpha-Agonists; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Ergot-derived Dopamine Receptor Agonist; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Neurotransmitter Agents; Nervous System; Dopamine Agents" [H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC 11339 46507604 PA450873 DAP000069 Pergolide CHEMBL531 8047 DB01186 Pergolide BE0000393 HTR2B P41595 5HT2B_HUMAN agonist 18703043; 18691132; 10641988; 21440001; 18096760 "Cussac D, Boutet-Robinet E, Ailhaud MC, Newman-Tancredi A, Martel JC, Danty N, Rauly-Lestienne I: Agonist-directed trafficking of signalling at serotonin 5-HT2A, 5-HT2B and 5-HT2C-VSV receptors mediated Gq/11 activation and calcium mobilisation in CHO cells. Eur J Pharmacol. 2008 Oct 10;594(1-3):32-8. doi: 10.1016/j.ejphar.2008.07.040. Epub 2008 Jul 30.@@Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.@@Hutcheson JD, Setola V, Roth BL, Merryman WD: Serotonin receptors and heart valve disease--it was meant 2B. Pharmacol Ther. 2011 Nov;132(2):146-57. doi: 10.1016/j.pharmthera.2011.03.008. Epub 2011 Apr 2.@@Gornemann T, Hubner H, Gmeiner P, Horowski R, Latte KP, Flieger M, Pertz HH: Characterization of the molecular fragment that is responsible for agonism of pergolide at serotonin 5-Hydroxytryptamine2B and 5-Hydroxytryptamine2A receptors. J Pharmacol Exp Ther. 2008 Mar;324(3):1136-45. doi: 10.1124/jpet.107.133165. Epub 2007 Dec 20." Approved; Investigational; Vet_approved; Withdrawn Indoloquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines "Adrenergic alpha-Agonists; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Ergot-derived Dopamine Receptor Agonist; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Neurotransmitter Agents; Nervous System; Dopamine Agents" [H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC 11339 46507604 PA450873 DAP000069 Pergolide CHEMBL531 8047 DB01186 Pergolide BE0000533 HTR2C P28335 5HT2C_HUMAN agonist 18703043; 18691132; 10641988 "Cussac D, Boutet-Robinet E, Ailhaud MC, Newman-Tancredi A, Martel JC, Danty N, Rauly-Lestienne I: Agonist-directed trafficking of signalling at serotonin 5-HT2A, 5-HT2B and 5-HT2C-VSV receptors mediated Gq/11 activation and calcium mobilisation in CHO cells. Eur J Pharmacol. 2008 Oct 10;594(1-3):32-8. doi: 10.1016/j.ejphar.2008.07.040. Epub 2008 Jul 30.@@Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S." Approved; Investigational; Vet_approved; Withdrawn Indoloquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines "Adrenergic alpha-Agonists; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Ergot-derived Dopamine Receptor Agonist; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Neurotransmitter Agents; Nervous System; Dopamine Agents" [H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC 11339 46507604 PA450873 DAP000069 Pergolide CHEMBL531 8047 DB01186 Pergolide BE0000715 ADRA1D P25100 ADA1D_HUMAN agonist 10641988 Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S. Approved; Investigational; Vet_approved; Withdrawn Indoloquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines "Adrenergic alpha-Agonists; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Ergot-derived Dopamine Receptor Agonist; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Neurotransmitter Agents; Nervous System; Dopamine Agents" [H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC 11339 46507604 PA450873 DAP000069 Pergolide CHEMBL531 8047 DB01188 Ciclopirox BE0000732 ATP1A1 P05023 AT1A1_HUMAN binder 12760852 "Niewerth M, Kunze D, Seibold M, Schaller M, Korting HC, Hube B: Ciclopirox olamine treatment affects the expression pattern of Candida albicans genes encoding virulence factors, iron metabolism proteins, and drug resistance factors. Antimicrob Agents Chemother. 2003 Jun;47(6):1805-17." Approved; Investigational Pyridinones Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines "Decreased RNA Replication; Anti-Infective Agents; Decreased Protein Synthesis; Decreased DNA Replication; Cycloparaffins; Antifungals for Topical Use; Pyridones; Antifungal Agents; Protein Synthesis Inhibitors; Gynecological Antiinfectives and Antiseptics; Antifungals for Dermatological Use; Dermatologicals; Genito Urinary System and Sex Hormones; Cyclohexanes; Vaginal Creams, Foams, and Jellies; Pyridines; Hydroxypyridones" CC1=CC(=O)N(O)C(=C1)C1CCCCC1 12378 46506333 D03488 PA164747060 DAP000466 Ciclopirox CHEMBL1413 21090 DB01189 Desflurane BE0000433 GLRA1 P23415 GLRA1_HUMAN agonist 17139284; 17016423; 16973644 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Grasshoff C, Antkowiak B: Effects of isoflurane and enflurane on GABAA and glycine receptors contribute equally to depressant actions on spinal ventral horn neurones in rats. Br J Anaesth. 2006 Nov;97(5):687-94. doi: 10.1093/bja/ael239. Epub 2006 Sep 13." Approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Potential QTc-Prolonging Agents; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; QTc Prolonging Agents; Anesthetics; Ethers; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Ethyl Ethers; Hydrocarbons, Fluorinated" FC(F)OC(F)C(F)(F)F 8 46505270 D00546 PA164749136 DAP000693 Desflurane CHEMBL1200733 27340 DB01189 Desflurane BE0000640 GRIA1 P42261 GRIA1_HUMAN antagonist 17139284; 17016423; 8786535 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Dildy-Mayfield JE, Eger EI 2nd, Harris RA: Anesthetics produce subunit-selective actions on glutamate receptors. J Pharmacol Exp Ther. 1996 Mar;276(3):1058-65." Approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Potential QTc-Prolonging Agents; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; QTc Prolonging Agents; Anesthetics; Ethers; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Ethyl Ethers; Hydrocarbons, Fluorinated" FC(F)OC(F)C(F)(F)F 8 46505270 D00546 PA164749136 DAP000693 Desflurane CHEMBL1200733 27340 DB01189 Desflurane BE0010002 ATP2C1 P16615 AT2A2_HUMAN inhibitor 7873420 Kosk-Kosicka D: Plasma membrane Ca(2+)-ATPase as a target for volatile anesthetics. Adv Pharmacol. 1994;31:313-22. Approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Potential QTc-Prolonging Agents; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; QTc Prolonging Agents; Anesthetics; Ethers; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Ethyl Ethers; Hydrocarbons, Fluorinated" FC(F)OC(F)C(F)(F)F 8 46505270 D00546 PA164749136 DAP000693 Desflurane CHEMBL1200733 27340 DB01189 Desflurane BE0000484 ATP5D P30049 ATPD_HUMAN other/unknown 8214757 "Kosk-Kosicka D, Roszczynska G: Inhibition of plasma membrane Ca(2+)-ATPase activity by volatile anesthetics. Anesthesiology. 1993 Oct;79(4):774-80." Approved Organofluorides Organic compounds; Organohalogen compounds; Organofluorides "Cytochrome P-450 CYP2E1 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Potential QTc-Prolonging Agents; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; QTc Prolonging Agents; Anesthetics; Ethers; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Ethyl Ethers; Hydrocarbons, Fluorinated" FC(F)OC(F)C(F)(F)F 8 46505270 D00546 PA164749136 DAP000693 Desflurane CHEMBL1200733 27340 DB01191 Dexfenfluramine BE0000533 HTR2C P28335 5HT2C_HUMAN agonist 10353435; 11198050; 11489456; 11888565; 12678838 "Vickers SP, Clifton PG, Dourish CT, Tecott LH: Reduced satiating effect of d-fenfluramine in serotonin 5-HT(2C) receptor mutant mice. Psychopharmacology (Berl). 1999 Apr;143(3):309-14.@@Wilson AW, Costall B, Neill JC: Manipulation of operant responding for an ethanol-paired conditioned stimulus in the rat by pharmacological alteration of the serotonergic system. J Psychopharmacol. 2000;14(4):340-6.@@Vickers SP, Dourish CT, Kennett GA: Evidence that hypophagia induced by d-fenfluramine and d-norfenfluramine in the rat is mediated by 5-HT2C receptors. Neuropharmacology. 2001 Aug;41(2):200-9.@@Tomkins DM, Joharchi N, Tampakeras M, Martin JR, Wichmann J, Higgins GA: An investigation of the role of 5-HT(2C) receptors in modifying ethanol self-administration behaviour. Pharmacol Biochem Behav. 2002 Apr;71(4):735-44.@@Bickerdike MJ: 5-HT2C receptor agonists as potential drugs for the treatment of obesity. Curr Top Med Chem. 2003;3(8):885-97." Approved; Illicit; Investigational; Withdrawn Amphetamines and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines "Cytochrome P-450 CYP2D6 Inhibitors; Amines; Cytochrome P-450 CYP2D6 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Centrally Acting Antiobesity Products; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2D6 Substrates; Antiobesity Preparations, Excl. Diet Products; Cytochrome P-450 CYP2E1 Inhibitors (weak); Phenethylamines; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Serotonin Agents; Neurotransmitter Agents; Ethylamines; Cytochrome P-450 CYP1A2 Substrates" CCN[C@@H](C)CC1=CC=CC(=C1)C(F)(F)F 46508388 D07805 PA164747936 DAP001224 Dexfenfluramine CHEMBL248702 3268 DB01192 Oxymorphone BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 9712193; 17006080; 17595308; 10854833; 16343768; 11752352 "Spetea M, Nevin ST, Hosztafi S, Ronai AZ, Toth G, Borsodi A: Affinity profiles of novel delta-receptor selective benzofuran derivatives of non-peptide opioids. Neurochem Res. 1998 Sep;23(9):1211-6.@@Lemberg KK, Kontinen VK, Siiskonen AO, Viljakka KM, Yli-Kauhaluoma JT, Korpi ER, Kalso EA: Antinociception by spinal and systemic oxycodone: why does the route make a difference? In vitro and in vivo studies in rats. Anesthesiology. 2006 Oct;105(4):801-12.@@Chamberlin KW, Cottle M, Neville R, Tan J: Oral oxymorphone for pain management. Ann Pharmacother. 2007 Jul;41(7):1144-52. Epub 2007 Jun 26.@@Halimi G, Devaux C, Clot-Faybesse O, Sampol J, Legof L, Rochat H, Guieu R: Modulation of adenosine concentration by opioid receptor agonists in rat striatum. Eur J Pharmacol. 2000 Jun 16;398(2):217-24.@@Gardell LR, King T, Ossipov MH, Rice KC, Lai J, Vanderah TW, Porreca F: Opioid receptor-mediated hyperalgesia and antinociceptive tolerance induced by sustained opiate delivery. Neurosci Lett. 2006 Mar 20;396(1):44-9. Epub 2005 Dec 15.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Vet_approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Natural Opium Alkaloids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Adjuvants; Morphine Derivatives; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Adjuvants, Anesthesia; Phenanthrenes; Morphinans; Central Nervous System Agents; Nervous System; Opiate Alkaloids; Opioids" [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CCC2=O Oxymorphone Action Pathway drug_action 6163 46505296 D08323 PA450748 DAP001138 Oxymorphone CHEMBL963 7814 DB01192 Oxymorphone BE0000420 OPRD1 P41143 OPRD_HUMAN antagonist 17595308; 14998329 "Chamberlin KW, Cottle M, Neville R, Tan J: Oral oxymorphone for pain management. Ann Pharmacother. 2007 Jul;41(7):1144-52. Epub 2007 Jun 26.@@Ananthan S, Khare NK, Saini SK, Seitz LE, Bartlett JL, Davis P, Dersch CM, Porreca F, Rothman RB, Bilsky EJ: Identification of opioid ligands possessing mixed micro agonist/delta antagonist activity among pyridomorphinans derived from naloxone, oxymorphone, and hydromorphone [correction of hydropmorphone]. J Med Chem. 2004 Mar 11;47(6):1400-12." Approved; Investigational; Vet_approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Natural Opium Alkaloids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Adjuvants; Morphine Derivatives; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Adjuvants, Anesthesia; Phenanthrenes; Morphinans; Central Nervous System Agents; Nervous System; Opiate Alkaloids; Opioids" [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CCC2=O Oxymorphone Action Pathway drug_action 6163 46505296 D08323 PA450748 DAP001138 Oxymorphone CHEMBL963 7814 DB01194 Brinzolamide BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 9541386; 10665514; 14684332; 9865942; 11003159; 19668749; 14971907 "Stams T, Chen Y, Boriack-Sjodin PA, Hurt JD, Liao J, May JA, Dean T, Laipis P, Silverman DN, Christianson DW: Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination. Protein Sci. 1998 Mar;7(3):556-63.@@DeSantis L: Preclinical overview of brinzolamide. Surv Ophthalmol. 2000 Jan;44 Suppl 2:S119-29.@@Winum JY, Casini A, Mincione F, Starnotti M, Montero JL, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: N-(p-sulfamoylphenyl)-alpha-D-glycopyranosylamines as topically acting antiglaucoma agents in hypertensive rabbits. Bioorg Med Chem Lett. 2004 Jan 5;14(1):225-9.@@Boriack-Sjodin PA, Zeitlin S, Chen HH, Crenshaw L, Gross S, Dantanarayana A, Delgado P, May JA, Dean T, Christianson DW: Structural analysis of inhibitor binding to human carbonic anhydrase II. Protein Sci. 1998 Dec;7(12):2483-9.@@Ilies M, Supuran CT, Scozzafava A, Casini A, Mincione F, Menabuoni L, Caproiu MT, Maganu M, Banciu MD: Carbonic anhydrase inhibitors: sulfonamides incorporating furan-, thiophene- and pyrrole-carboxamido groups possess strong topical intraocular pressure lowering properties as aqueous suspensions. Bioorg Med Chem. 2000 Aug;8(8):2145-55.@@Iester M: Brinzolamide ophthalmic suspension: a review of its pharmacology and use in the treatment of open angle glaucoma and ocular hypertension. Clin Ophthalmol. 2008 Sep;2(3):517-23.@@Vullo D, Franchi M, Gallori E, Antel J, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of mitochondrial isozyme V with aromatic and heterocyclic sulfonamides. J Med Chem. 2004 Feb 26;47(5):1272-9." Approved Thienothiazines Organic compounds; Organoheterocyclic compounds; Thienothiazines Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Ophthalmics; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Sulfones; Cytochrome P-450 Substrates; Antiglaucoma Preparations and Miotics; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2A6 Substrates; Diuretics; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Ophthalmologicals; Cytochrome P-450 CYP2C9 Substrates; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Sensory Organs CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O 11799 46507071 D00652 PA164744929 DAP000602 Brinzolamide CHEMBL220491 194881 DB01194 Brinzolamide BE0003626 CA5A P35218 CAH5A_HUMAN inhibitor 14971907 "Vullo D, Franchi M, Gallori E, Antel J, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of mitochondrial isozyme V with aromatic and heterocyclic sulfonamides. J Med Chem. 2004 Feb 26;47(5):1272-9." Approved Thienothiazines Organic compounds; Organoheterocyclic compounds; Thienothiazines Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Ophthalmics; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Sulfones; Cytochrome P-450 Substrates; Antiglaucoma Preparations and Miotics; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2A6 Substrates; Diuretics; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Ophthalmologicals; Cytochrome P-450 CYP2C9 Substrates; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Sensory Organs CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O 11799 46507071 D00652 PA164744929 DAP000602 Brinzolamide CHEMBL220491 194881 DB01194 Brinzolamide BE0003625 CA3 P07451 CAH3_HUMAN inhibitor 17826101 "Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25." Approved Thienothiazines Organic compounds; Organoheterocyclic compounds; Thienothiazines Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Ophthalmics; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Sulfones; Cytochrome P-450 Substrates; Antiglaucoma Preparations and Miotics; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2A6 Substrates; Diuretics; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Ophthalmologicals; Cytochrome P-450 CYP2C9 Substrates; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Sensory Organs CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O 11799 46507071 D00652 PA164744929 DAP000602 Brinzolamide CHEMBL220491 194881 DB01195 Flecainide BE0005295 RYR2 Q92736 RYR2_HUMAN inhibitor 25274603 "Mehra D, Imtiaz MS, van Helden DF, Knollmann BC, Laver DR: Multiple modes of ryanodine receptor 2 inhibition by flecainide. Mol Pharmacol. 2014 Dec;86(6):696-706. doi: 10.1124/mol.114.094623. Epub 2014 Oct 1." Approved; Withdrawn Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "MATE 1 Substrates; Cytochrome P-450 CYP2D6 Inhibitors; Sodium Channel Blockers; QTc Prolonging Agents; MATE 1 Inhibitors; MATE 1 Substrates with a Narrow Therapeutic Index; Antiarrhythmics, Class Ic; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Piperidines; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Antiarrhythmics, Class I; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; MATE substrates; Cytochrome P-450 CYP1A2 Substrates" FC(F)(F)COC1=CC(C(=O)NCC2CCCCN2)=C(OCC(F)(F)F)C=C1 Flecainide Action Pathway drug_action 1864 46508078 D07962 PA449646 DAP000518 Flecainide CHEMBL652 4441 DB01196 Estramustine BE0000792 ESR2 Q92731 ESR2_HUMAN other/unknown 14755680 Ho SM: Estrogens and anti-estrogens: key mediators of prostate carcinogenesis and new therapeutic candidates. J Cell Biochem. 2004 Feb 15;91(3):491-503. Approved; Investigational Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Alkylating Activity; Cytochrome P-450 CYP3A Substrates; Mustard Compounds; Noxae; Estradiol Congeners; Nitrogen Mustard Compounds; Estrenes; Cytochrome P-450 Substrates; Estranes; Steroids; Antineoplastic Agents; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents, Alkylating; Hydrocarbons, Halogenated; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Alkylating Drugs; Antineoplastic Agents, Hormonal; Toxic Actions" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H] 2103 46508765 D04066 PA449507 DAP001307 Estramustine CHEMBL1575 4089 DB01196 Estramustine BE0000123 ESR1 P03372 ESR1_HUMAN agonist 3314674; 3989343; 7703721; 6364362 "Ferno M, Borg A, Ingvar C, Jonsson PE: Estrogen receptor and binding site for estramustine in metastatic malignant melanoma. Anticancer Res. 1987 Jul-Aug;7(4B):741-3.@@Yoshizumi N: [The effects of site-directed chemotherapy due to E2 as a drug carrier to the human endometrial adenocarcinoma cells in vitro]. Nihon Sanka Fujinka Gakkai Zasshi. 1985 Apr;37(4):637-45.@@von Schoultz E, Carlstrom K, Henriksson R, Lagerlof B, Hansson J: Estramustine binding protein in primary tumours and metastases of malignant melanoma. Melanoma Res. 1994 Dec;4(6):401-5.@@Tew KD: The mechanism of action of estramustine. Semin Oncol. 1983 Sep;10(3 Suppl 3):21-6." Approved; Investigational Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Alkylating Activity; Cytochrome P-450 CYP3A Substrates; Mustard Compounds; Noxae; Estradiol Congeners; Nitrogen Mustard Compounds; Estrenes; Cytochrome P-450 Substrates; Estranes; Steroids; Antineoplastic Agents; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents, Alkylating; Hydrocarbons, Halogenated; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Alkylating Drugs; Antineoplastic Agents, Hormonal; Toxic Actions" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H] 2103 46508765 D04066 PA449507 DAP001307 Estramustine CHEMBL1575 4089 DB01196 Estramustine BE0001100 MAP2 P11137 MTAP2_HUMAN antagonist 1599956; 1647395; 1908244; 2125244; 2679799; 6364362 "Moraga D, Rivas-Berrios A, Farias G, Wallin M, Maccioni RB: Estramustine-phosphate binds to a tubulin binding domain on microtubule-associated proteins MAP-2 and tau. Biochim Biophys Acta. 1992 May 22;1121(1-2):97-103.@@Stearns ME, Wang M, Sousa O: Evidence that estramustine binds MAP-1A to inhibit type IV collagenase secretion. J Cell Sci. 1991 Jan;98 ( Pt 1):55-63.@@Friden B, Rutberg M, Deinum J, Wallin M: The effect of estramustine derivatives on microtubule assembly in vitro depends on the charge of the substituent. Biochem Pharmacol. 1991 Aug 8;42(5):997-1006.@@Burns RG: Stoichiometry of estramustine phosphate binding to MAP2 measured by the disassembly of chick brain MAP2:tubulin microtubules. Cell Motil Cytoskeleton. 1990;17(3):167-73.@@Falconer MM, Vielkind U, Brown DL: Association of acetylated microtubules, vimentin intermediate filaments, and MAP 2 during early neural differentiation in EC cell culture. Biochem Cell Biol. 1989 Sep;67(9):537-44.@@Tew KD: The mechanism of action of estramustine. Semin Oncol. 1983 Sep;10(3 Suppl 3):21-6." Approved; Investigational Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Alkylating Activity; Cytochrome P-450 CYP3A Substrates; Mustard Compounds; Noxae; Estradiol Congeners; Nitrogen Mustard Compounds; Estrenes; Cytochrome P-450 Substrates; Estranes; Steroids; Antineoplastic Agents; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents, Alkylating; Hydrocarbons, Halogenated; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Alkylating Drugs; Antineoplastic Agents, Hormonal; Toxic Actions" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H] 2103 46508765 D04066 PA449507 DAP001307 Estramustine CHEMBL1575 4089 DB01196 Estramustine BE0001169 MAP1A P78559 MAP1A_HUMAN antagonist 1647395 "Stearns ME, Wang M, Sousa O: Evidence that estramustine binds MAP-1A to inhibit type IV collagenase secretion. J Cell Sci. 1991 Jan;98 ( Pt 1):55-63." Approved; Investigational Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Alkylating Activity; Cytochrome P-450 CYP3A Substrates; Mustard Compounds; Noxae; Estradiol Congeners; Nitrogen Mustard Compounds; Estrenes; Cytochrome P-450 Substrates; Estranes; Steroids; Antineoplastic Agents; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents, Alkylating; Hydrocarbons, Halogenated; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Alkylating Drugs; Antineoplastic Agents, Hormonal; Toxic Actions" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H] 2103 46508765 D04066 PA449507 DAP001307 Estramustine CHEMBL1575 4089 DB01197 Captopril BE0000642 MMP2 P08253 MMP2_HUMAN inhibitor 17308006; 19057128; 10328230; 12381651; 15993560; 20184869 "Brower GL, Levick SP, Janicki JS: Inhibition of matrix metalloproteinase activity by ACE inhibitors prevents left ventricular remodeling in a rat model of heart failure. Am J Physiol Heart Circ Physiol. 2007 Jun;292(6):H3057-64. Epub 2007 Feb 16.@@Okada M, Kikuzuki R, Harada T, Hori Y, Yamawaki H, Hara Y: Captopril attenuates matrix metalloproteinase-2 and -9 in monocrotaline-induced right ventricular hypertrophy in rats. J Pharmacol Sci. 2008 Dec;108(4):487-94. Epub 2008 Dec 5.@@Prontera C, Mariani B, Rossi C, Poggi A, Rotilio D: Inhibition of gelatinase A (MMP-2) by batimastat and captopril reduces tumor growth and lung metastases in mice bearing Lewis lung carcinoma. Int J Cancer. 1999 May 31;81(5):761-6.@@Reinhardt D, Sigusch HH, Hensse J, Tyagi SC, Korfer R, Figulla HR: Cardiac remodelling in end stage heart failure: upregulation of matrix metalloproteinase (MMP) irrespective of the underlying disease, and evidence for a direct inhibitory effect of ACE inhibitors on MMP. Heart. 2002 Nov;88(5):525-30.@@Williams RN, Parsons SL, Morris TM, Rowlands BJ, Watson SA: Inhibition of matrix metalloproteinase activity and growth of gastric adenocarcinoma cells by an angiotensin converting enzyme inhibitor in in vitro and murine models. Eur J Surg Oncol. 2005 Nov;31(9):1042-50. Epub 2005 Jul 1.@@Yamamoto D, Takai S, Hirahara I, Kusano E: Captopril directly inhibits matrix metalloproteinase-2 activity in continuous ambulatory peritoneal dialysis therapy. Clin Chim Acta. 2010 May 2;411(9-10):762-4. doi: 10.1016/j.cca.2010.02.059. Epub 2010 Feb 22." Approved Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Agents causing angioedema; Antihypertensive Agents; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Photosensitizing Agents; Angiotensin-Converting Enzyme Inhibitors; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Amino Acids; Drugs causing inadvertant photosensitivity; OAT1/SLC22A6 Substrates; Imino Acids; Amino Acids, Cyclic" C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Captopril Action Pathway drug_action 1983 46506879 D00251 PA448780 DAP000589 Captopril CHEMBL1560 1998 DB01197 Captopril BE0001680 LTA4H P09960 LKHA4_HUMAN inhibitor 12207002 "Thunnissen MM, Andersson B, Samuelsson B, Wong CH, Haeggstrom J: Crystal structures of leukotriene A4 hydrolase in complex with captopril and two competitive tight-binding inhibitors. FASEB J. 2002 Oct;16(12):1648-50. Epub 2002 Aug 7." Approved Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Agents causing angioedema; Antihypertensive Agents; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Photosensitizing Agents; Angiotensin-Converting Enzyme Inhibitors; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Amino Acids; Drugs causing inadvertant photosensitivity; OAT1/SLC22A6 Substrates; Imino Acids; Amino Acids, Cyclic" C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Captopril Action Pathway drug_action 1983 46506879 D00251 PA448780 DAP000589 Captopril CHEMBL1560 1998 DB01198 Zopiclone BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 19942638; 18973287; 15291009; 6135616; 20303942 "Nutt DJ, Stahl SM: Searching for perfect sleep: the continuing evolution of GABAA receptor modulators as hypnotics. J Psychopharmacol. 2010 Nov;24(11):1601-12. doi: 10.1177/0269881109106927. Epub 2009 Nov 26.@@Hanson SM, Morlock EV, Satyshur KA, Czajkowski C: Structural requirements for eszopiclone and zolpidem binding to the gamma-aminobutyric acid type-A (GABAA) receptor are different. J Med Chem. 2008 Nov 27;51(22):7243-52. doi: 10.1021/jm800889m.@@Sanger DJ: The pharmacology and mechanisms of action of new generation, non-benzodiazepine hypnotic agents. CNS Drugs. 2004;18 Suppl 1:9-15; discussion 41, 43-5.@@Skerritt JH, Johnston GA: Enhancement of GABA binding by benzodiazepines and related anxiolytics. Eur J Pharmacol. 1983 May 6;89(3-4):193-8.@@Ramerstorfer J, Furtmuller R, Vogel E, Huck S, Sieghart W: The point mutation gamma 2F77I changes the potency and efficacy of benzodiazepine site ligands in different GABAA receptor subtypes. Eur J Pharmacol. 2010 Jun 25;636(1-3):18-27. doi: 10.1016/j.ejphar.2010.03.015. Epub 2010 Mar 19." Approved Cyclopyrrolones Organic compounds; Organoheterocyclic compounds; Pyrrolopyrazines; Cyclopyrrolones Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Aza Compounds; Zopiclone and prodrugs; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Hypnotics (Nonbenzodiazepine); Photosensitizing Agents; Psycholeptics; Sleep Initiation and Maintenance Disorders; Miscellaneous Anxiolytics Sedatives and Hypnotics; Drugs causing inadvertant photosensitivity; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Methemoglobinemia Associated Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Nervous System CN1CCN(CC1)C(=O)OC1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1 1200 46505233 D01372 PA10236 DAP000427 Zopiclone CHEMBL135400 40001 DB01198 Zopiclone BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 19942638; 18973287; 20303942 "Nutt DJ, Stahl SM: Searching for perfect sleep: the continuing evolution of GABAA receptor modulators as hypnotics. J Psychopharmacol. 2010 Nov;24(11):1601-12. doi: 10.1177/0269881109106927. Epub 2009 Nov 26.@@Hanson SM, Morlock EV, Satyshur KA, Czajkowski C: Structural requirements for eszopiclone and zolpidem binding to the gamma-aminobutyric acid type-A (GABAA) receptor are different. J Med Chem. 2008 Nov 27;51(22):7243-52. doi: 10.1021/jm800889m.@@Ramerstorfer J, Furtmuller R, Vogel E, Huck S, Sieghart W: The point mutation gamma 2F77I changes the potency and efficacy of benzodiazepine site ligands in different GABAA receptor subtypes. Eur J Pharmacol. 2010 Jun 25;636(1-3):18-27. doi: 10.1016/j.ejphar.2010.03.015. Epub 2010 Mar 19." Approved Cyclopyrrolones Organic compounds; Organoheterocyclic compounds; Pyrrolopyrazines; Cyclopyrrolones Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Aza Compounds; Zopiclone and prodrugs; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Hypnotics (Nonbenzodiazepine); Photosensitizing Agents; Psycholeptics; Sleep Initiation and Maintenance Disorders; Miscellaneous Anxiolytics Sedatives and Hypnotics; Drugs causing inadvertant photosensitivity; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Methemoglobinemia Associated Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Nervous System CN1CCN(CC1)C(=O)OC1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1 1200 46505233 D01372 PA10236 DAP000427 Zopiclone CHEMBL135400 40001 DB01200 Bromocriptine BE0000581 DRD3 P35462 DRD3_HUMAN agonist 18691132; 10641988 "Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S." Approved; Investigational; Withdrawn Lysergamides Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Adrenergic alpha-Agonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Hormone Antagonists; Antidepressive Agents; Blood Glucose Lowering Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C 11220 46505504 D03165 PA448671 DAP001462 Bromocriptine CHEMBL493 1760 DB01200 Bromocriptine BE0000393 HTR2B P41595 5HT2B_HUMAN agonist 18703043; 18691132; 10641988 "Cussac D, Boutet-Robinet E, Ailhaud MC, Newman-Tancredi A, Martel JC, Danty N, Rauly-Lestienne I: Agonist-directed trafficking of signalling at serotonin 5-HT2A, 5-HT2B and 5-HT2C-VSV receptors mediated Gq/11 activation and calcium mobilisation in CHO cells. Eur J Pharmacol. 2008 Oct 10;594(1-3):32-8. doi: 10.1016/j.ejphar.2008.07.040. Epub 2008 Jul 30.@@Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S." Approved; Investigational; Withdrawn Lysergamides Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Adrenergic alpha-Agonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Hormone Antagonists; Antidepressive Agents; Blood Glucose Lowering Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C 11220 46505504 D03165 PA448671 DAP001462 Bromocriptine CHEMBL493 1760 DB01200 Bromocriptine BE0000533 HTR2C P28335 5HT2C_HUMAN agonist 18703043; 18691132; 10641988 "Cussac D, Boutet-Robinet E, Ailhaud MC, Newman-Tancredi A, Martel JC, Danty N, Rauly-Lestienne I: Agonist-directed trafficking of signalling at serotonin 5-HT2A, 5-HT2B and 5-HT2C-VSV receptors mediated Gq/11 activation and calcium mobilisation in CHO cells. Eur J Pharmacol. 2008 Oct 10;594(1-3):32-8. doi: 10.1016/j.ejphar.2008.07.040. Epub 2008 Jul 30.@@Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S." Approved; Investigational; Withdrawn Lysergamides Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Adrenergic alpha-Agonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Hormone Antagonists; Antidepressive Agents; Blood Glucose Lowering Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C 11220 46505504 D03165 PA448671 DAP001462 Bromocriptine CHEMBL493 1760 DB01200 Bromocriptine BE0000715 ADRA1D P25100 ADA1D_HUMAN agonist 10641988 Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S. Approved; Investigational; Withdrawn Lysergamides Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Adrenergic alpha-Agonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Hormone Antagonists; Antidepressive Agents; Blood Glucose Lowering Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C 11220 46505504 D03165 PA448671 DAP001462 Bromocriptine CHEMBL493 1760 DB01200 Bromocriptine BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 18996971 "Knight JA, Smith C, Toohey N, Klein MT, Teitler M: Pharmacological analysis of the novel, rapid, and potent inactivation of the human 5-Hydroxytryptamine7 receptor by risperidone, 9-OH-Risperidone, and other inactivating antagonists. Mol Pharmacol. 2009 Feb;75(2):374-80. doi: 10.1124/mol.108.052084. Epub 2008 Nov 7." Approved; Investigational; Withdrawn Lysergamides Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Adrenergic alpha-Agonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Hormone Antagonists; Antidepressive Agents; Blood Glucose Lowering Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C 11220 46505504 D03165 PA448671 DAP001462 Bromocriptine CHEMBL493 1760 DB01202 Levetiracetam BE0002226 CACNA1B Q00975 CAC1B_HUMAN inhibitor 17461889; 11879381 "De Smedt T, Raedt R, Vonck K, Boon P: Levetiracetam: the profile of a novel anticonvulsant drug-part I: preclinical data. CNS Drug Rev. 2007 Spring;13(1):43-56.@@Lukyanetz EA, Shkryl VM, Kostyuk PG: Selective blockade of N-type calcium channels by levetiracetam. Epilepsia. 2002 Jan;43(1):9-18." Approved Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Miscellaneous Anticonvulsants; Acetamides; Pyrrolidines; Central Nervous System Agents; Central Nervous System Depressants; Nervous System; Amides; Pyrrolidinones; P-glycoprotein substrates; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants CC[C@H](N1CCCC1=O)C(N)=O 13107 46508406 D00709 PA450206 DAP000502 Levetiracetam CHEMBL1286 114477 DB01204 Mitoxantrone BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 11752352; 9631585; 9494516; 11278845; 11004693; 10451375; 18687447 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Takeda K, Shinohara K, Kameda N, Ariyoshi K: A case of therapy-related acute myeloblastic leukemia with t(16;21)(q24;q22) after chemotherapy with DNA-topoisomerase II inhibitors, etoposide and mitoxantrone, and the alkylating agent, cyclophosphamide. Int J Hematol. 1998 Feb;67(2):179-86.@@McPherson JP, Deffie AM, Jones NR, Brown GA, Deuchars KL, Goldenberg GJ: Selective sensitization of adriamycin-resistant P388 murine leukemia cells to antineoplastic agents following transfection with human DNA topoisomerase II alpha. Anticancer Res. 1997 Nov-Dec;17(6D):4243-52.@@Wang H, Mao Y, Zhou N, Hu T, Hsieh TS, Liu LF: Atp-bound topoisomerase ii as a target for antitumor drugs. J Biol Chem. 2001 May 11;276(19):15990-5. Epub 2001 Feb 23.@@Satherley K, de Souza L, Neale MH, Alexander RA, Myatt N, Foss AJ, Hungerford JL, Hickson ID, Cree IA: Relationship between expression of topoisomerase II isoforms and chemosensitivity in choroidal melanoma. J Pathol. 2000 Oct;192(2):174-81.@@Mao Y, Yu C, Hsieh TS, Nitiss JL, Liu AA, Wang H, Liu LF: Mutations of human topoisomerase II alpha affecting multidrug resistance and sensitivity. Biochemistry. 1999 Aug 17;38(33):10793-800.@@Ko MW, Tamhankar MA, Volpe NJ, Porter D, McGrath C, Galetta SL: Acute promyelocytic leukemic involvement of the optic nerves following mitoxantrone treatment for multiple sclerosis. J Neurol Sci. 2008 Oct 15;273(1-2):144-7. doi: 10.1016/j.jns.2008.06.028. Epub 2008 Aug 6." Approved; Investigational Anthraquinones Organic compounds; Benzenoids; Anthracenes; Anthraquinones Cytotoxic Antibiotics and Related Substances; Myelosuppressive Agents; Sensory System Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2E1 Inducers (weak); Topoisomerase Inhibitors; P-glycoprotein inducers; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Anthraquinones; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anthracenes; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; P-glycoprotein inhibitors; Quinones; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Peripheral Nervous System Agents; Analgesics; Anthracyclines and Related Substances; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Topoisomerase II Inhibitors; Central Nervous System Agents; Narrow Therapeutic Index Drugs OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(C(O)=CC=C1O)C2=O 11343 46504608 D08224 PA450526 DAP000057 Mitoxantrone CHEMBL58 7005 DB01205 Flumazenil BE0000795 GABRA1 P14867 GBRA1_HUMAN antagonist 17016423; 11864636; 8693922 "Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wingrove PB, Safo P, Wheat L, Thompson SA, Wafford KA, Whiting PJ: Mechanism of alpha-subunit selectivity of benzodiazepine pharmacology at gamma-aminobutyric acid type A receptors. Eur J Pharmacol. 2002 Feb 15;437(1-2):31-9.@@Whitwam JG, Amrein R: Pharmacology of flumazenil. Acta Anaesthesiol Scand Suppl. 1995;108:3-14." Approved "Imidazo[1,5-a][1,4]benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Benzodiazepine Antagonist; Benzazepines; GABA Agents; Heterocyclic Compounds, Fused-Ring; Antidotes; Benzodiazepinones; Neurotransmitter Agents; Protective Agents; GABA Modulators; Drugs that are Mainly Renally Excreted; Miscellaneous Central Nervous System Agents; Compounds used in a research, industrial, or household setting" CCOC(=O)C1=C2CN(C)C(=O)C3=C(C=CC(F)=C3)N2C=N1 1227 46507438 D00697 PA449659 DAP000685 Flumazenil CHEMBL407 4457 DB01206 Lomustine BE0004003 STMN4 Q9H169 STMN4_HUMAN antagonist 18593927; 18162179 "Liang XJ, Choi Y, Sackett DL, Park JK: Nitrosoureas inhibit the stathmin-mediated migration and invasion of malignant glioma cells. Cancer Res. 2008 Jul 1;68(13):5267-72. doi: 10.1158/0008-5472.CAN-07-6482.@@Wu WW, Wang G, Liang XJ, Park JK, Shen RF: Covalent modification of stathmin by CCNU determined by FTMS analysis of modified proteins and tryptic peptides. Biochem Biophys Res Commun. 2008 Feb 29;367(1):7-13. Epub 2007 Dec 26." Approved; Investigational Nitrosoureas Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas "Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Nitroso Compounds; Alkylating Activity; Cytochrome P-450 CYP2D6 Inhibitors (weak); Amides; Noxae; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Nitrosourea Compounds; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Nitrosoureas; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antineoplastic Agents, Alkylating; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Alkylating Drugs; Narrow Therapeutic Index Drugs; Toxic Actions" ClCCN(N=O)C(=O)NC1CCCCC1 2275 46506562 D00363 PA164749407 DAP000991 Lomustine CHEMBL514 6466 DB01207 Ridogrel BE0001893 TBXAS1 P24557 THAS_HUMAN inhibitor 11270983; 11856082; 8313547; 8376914; 10848666; 10592235 "Park SJ, Lee JJ, Vanhoutte PM: Endothelin-1 releases endothelium-derived endoperoxides and thromboxane A2 in porcine coronary arteries with regenerated endothelium. Zhongguo Yao Li Xue Bao. 1999 Oct;20(10):872-8.@@Tytgat GN, Van Nueten L, Van De Velde I, Joslyn A, Hanauer SB: Efficacy and safety of oral ridogrel in the treatment of ulcerative colitis: two multicentre, randomized, double-blind studies. Aliment Pharmacol Ther. 2002 Jan;16(1):87-99.@@Authors unspecified: Randomized trial of ridogrel, a combined thromboxane A2 synthase inhibitor and thromboxane A2/prostaglandin endoperoxide receptor antagonist, versus aspirin as adjunct to thrombolysis in patients with acute myocardial infarction. The Ridogrel Versus Aspirin Patency Trial (RAPT). Circulation. 1994 Feb;89(2):588-95.@@De Cree J, Geukens H, Gutwirth P, De Clerck F, Vercammen E, Verhaegen H: The effect of a combined administration of ridogrel and ketanserin in patients with intermittent claudication. Int Angiol. 1993 Mar;12(1):59-68.@@Carty E, Macey M, McCartney SA, Rampton DS: Ridogrel, a dual thromboxane synthase inhibitor and receptor antagonist: anti-inflammatory profile in inflammatory bowel disease. Aliment Pharmacol Ther. 2000 Jun;14(6):807-17.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes "Fatty Acids, Volatile; Valerates; Enzyme Inhibitors; Lipids; Hematologic Agents; Thromboxane-A Synthase, antagonists & inhibitors; Acids, Acyclic; Fatty Acids; Gastrointestinal Agents; Antiplatelet agents" OC(=O)CCCCO\N=C(\C1=CN=CC=C1)C1=CC(=CC=C1)C(F)(F)F 46506774 PA164746413 DAP000469 CHEMBL280728 DB01207 Ridogrel BE0000759 TBXA2R P21731 TA2R_HUMAN antagonist 11752352; 8831771; 8289199; 10522750; 9272380; 8697470 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Heinisch G, Holzer W, Kunz F, Langer T, Lukavsky P, Pechlaner C, Weissenberger H: On the bioisosteric potential of diazines: diazine analogues of the combined thromboxane A2 receptor antagonist and synthetase inhibitor Ridogrel. J Med Chem. 1996 Sep 27;39(20):4058-64.@@Soyka R, Heckel A, Nickl J, Eisert W, Muller TH, Weisenberger H: 6,6-Disubstituted Hex-5-enoic acid derivatives as combined thromboxane A2 receptor antagonists and synthetase inhibitors. J Med Chem. 1994 Jan 7;37(1):26-39.@@Hempelmann RG, Pradel RH, Mehdorn HM, Ziegler A: Threshold concentrations of endothelin-1: the effects on contractions induced by 5-hydroxytryptamine in isolated rat cerebral and mesenteric arteries. Pharmacol Toxicol. 1999 Sep;85(3):115-22.@@Carvalho MH, Fortes ZB, Nigro D, Oliveira MA, Scivoletto R: The role of thromboxane A2 in the altered microvascular reactivity in two-kidney, one-clip hypertension. Endothelium. 1997;5(3):167-78.@@Ragni M, Golino P, Cirillo P, Pascucci I, Scognamiglio A, Ravera A, Esposito N, Battaglia C, Guarino A, Chiariello M: [Inactivated factor VII exercises a powerful antithrombotic activity in an experimental model of recurrent arterial thrombosis]. Cardiologia. 1996 Jan;41(1):51-8." Experimental Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes "Fatty Acids, Volatile; Valerates; Enzyme Inhibitors; Lipids; Hematologic Agents; Thromboxane-A Synthase, antagonists & inhibitors; Acids, Acyclic; Fatty Acids; Gastrointestinal Agents; Antiplatelet agents" OC(=O)CCCCO\N=C(\C1=CN=CC=C1)C1=CC(=CC=C1)C(F)(F)F 46506774 PA164746413 DAP000469 CHEMBL280728 DB01208 Sparfloxacin BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Withdrawn Quinoline carboxylic acids Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids "QTc Prolonging Agents; Enzyme Inhibitors; Topoisomerase Inhibitors; Anti-Bacterial Agents; Quinolones; Antiinfectives for Systemic Use; Drugs for Treatment of Tuberculosis; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Heterocyclic Compounds, Fused-Ring; Antibacterials for Systemic Use; Anti-Infective Agents; Topoisomerase II Inhibitors; Fluoroquinolones; Highest Risk QTc-Prolonging Agents; Quinolines; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" C[C@H]1CN(C[C@@H](C)N1)C1=C(F)C(N)=C2C(=O)C(=CN(C3CC3)C2=C1F)C(O)=O 46506453 D00590 PA451472 DAP000161 Sparfloxacin CHEMBL850 18469 DB01209 Dezocine BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 9399970; 11702089; 10958085; 12513698; 9972766; 1361946 "Picker MJ: Discriminative stimulus effects of the mixed-opioid agonist/antagonist dezocine: cross-substitution by mu and delta opioid agonists. J Pharmacol Exp Ther. 1997 Dec;283(3):1009-17.@@Barrett AC, Cook CD, Terner JM, Craft RM, Picker MJ: Importance of sex and relative efficacy at the mu opioid receptor in the development of tolerance and cross-tolerance to the antinociceptive effects of opioids. Psychopharmacology (Berl). 2001 Nov;158(2):154-64.@@Cook CD, Barrett AC, Roach EL, Bowman JR, Picker MJ: Sex-related differences in the antinociceptive effects of opioids: importance of rat genotype, nociceptive stimulus intensity, and efficacy at the mu opioid receptor. Psychopharmacology (Berl). 2000 Jul;150(4):430-42.@@Gharagozlou P, Demirci H, David Clark J, Lameh J: Activity of opioid ligands in cells expressing cloned mu opioid receptors. BMC Pharmacol. 2003 Jan 4;3:1. Epub 2003 Jan 4.@@Morgan D, Cook CD, Smith MA, Picker MJ: An examination of the interactions between the antinociceptive effects of morphine and various mu-opioids: the role of intrinsic efficacy and stimulus intensity. Anesth Analg. 1999 Feb;88(2):407-13.@@Jacobs AM, Youngblood F: Opioid receptor affinity for agonist-antagonist analgesics. J Am Podiatr Med Assoc. 1992 Oct;82(10):520-4." Approved; Investigational Tetralins Organic compounds; Benzenoids; Tetralins Sensory System Agents; Central Nervous System Agents; Central Nervous System Depressants; Narcotics; Naphthalenes; Nervous System; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Peripheral Nervous System Agents; Analgesics; Opioids [H][C@@]12CC3=CC=C(O)C=C3[C@@](C)(CCCCC1)[C@H]2N Dezocine Action Pathway drug_action 46508770 D00838 PA164746059 DAP001100 Dezocine CHEMBL1685 22713 DB01212 Ceftriaxone BE0001018 SLC15A1 P46059 S15A1_HUMAN 15567297 "Luckner P, Brandsch M: Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1. Eur J Pharm Biopharm. 2005 Jan;59(1):17-24." Approved Cephalosporins Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams "beta-Lactams; Third-Generation Cephalosporins; Anti-Bacterial Agents; Nephrotoxic agents; Amides; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; Drugs that are Mainly Renally Excreted; P-glycoprotein inhibitors; Cephacetrile; Thiazines; Heterocyclic Compounds, Fused-Ring; beta Lactam Antibiotics; Cephalosporins; Antibacterials for Systemic Use; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Lactams; Sulfur Compounds" [H][C@]12SCC(CSC3=NC(=O)C(=O)NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O 11309 46506458 D07659 PA448866 DAP000145 Ceftriaxone CHEMBL161 2193 DB01213 Fomepizole BE0000465 ADH1C P00326 ADH1G_HUMAN inhibitor 11391066; 19458366; 16871118; 16946442 "Eriksson CJ, Fukunaga T, Sarkola T, Chen WJ, Chen CC, Ju JM, Cheng AT, Yamamoto H, Kohlenberg-Muller K, Kimura M, Murayama M, Matsushita S, Kashima H, Higuchi S, Carr L, Viljoen D, Brooke L, Stewart T, Foroud T, Su J, Li TK, Whitfield JB: Functional relevance of human adh polymorphism. Alcohol Clin Exp Res. 2001 May;25(5 Suppl ISBRA):157S-163S.@@Brent J: Fomepizole for ethylene glycol and methanol poisoning. N Engl J Med. 2009 May 21;360(21):2216-23. doi: 10.1056/NEJMct0806112.@@Calello DP, Osterhoudt KC, Henretig FM: New and novel antidotes in pediatrics. Pediatr Emerg Care. 2006 Jul;22(7):523-30.@@Betten DP, Vohra RB, Cook MD, Matteucci MJ, Clark RF: Antidote use in the critically ill poisoned patient. J Intensive Care Med. 2006 Sep-Oct;21(5):255-77." Approved; Vet_approved Pyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles "Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Antidotes; Cytochrome P-450 Substrates; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Pyrazoles; Protective Agents; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inducers; Compounds used in a research, industrial, or household setting" CC1=CNN=C1 12038 46508566 D00707 PA449697 DAP000568 Fomepizole CHEMBL1308 15226 DB01213 Fomepizole BE0001207 CAT P04040 CATA_HUMAN inhibitor 240743; 3416882; 8423764 "Thurman RG, McKenna WR, Brentzel HJ Jr, Hesse S: Significant pathways of hepatic ethanol metabolism. Fed Proc. 1975 Oct;34(11):2075-81.@@Handler JA, Thurman RG: Catalase-dependent ethanol oxidation in perfused rat liver. Requirement for fatty-acid-stimulated H2O2 production by peroxisomes. Eur J Biochem. 1988 Sep 15;176(2):477-84.@@Bradford BU, Forman DT, Thurman RG: 4-Methylpyrazole inhibits fatty acyl coenzyme synthetase and diminishes catalase-dependent alcohol metabolism: has the contribution of alcohol dehydrogenase to alcohol metabolism been previously overestimated? Mol Pharmacol. 1993 Jan;43(1):115-9." Approved; Vet_approved Pyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles "Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Antidotes; Cytochrome P-450 Substrates; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Pyrazoles; Protective Agents; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inducers; Compounds used in a research, industrial, or household setting" CC1=CNN=C1 12038 46508566 D00707 PA449697 DAP000568 Fomepizole CHEMBL1308 15226 DB01215 Estazolam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved; Illicit "1,2,4-triazolo[4,3-a][1,4]benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Cytochrome P-450 CYP3A Substrates; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Psycholeptics; Heterocyclic Compounds, Fused-Ring; Triazolobenzodiazepines; Drugs causing inadvertant photosensitivity; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anticonvulsants" ClC1=CC2=C(C=C1)N1C=NN=C1CN=C2C1=CC=CC=C1 1846 46507430 D00311 PA449502 DAP000930 Estazolam CHEMBL285674 4077 DB01216 Finasteride BE0003610 AKR1D1 P51857 AK1D1_HUMAN inhibitor 19515843 "Drury JE, Di Costanzo L, Penning TM, Christianson DW: Inhibition of human steroid 5beta-reductase (AKR1D1) by finasteride and structure of the enzyme-inhibitor complex. J Biol Chem. 2009 Jul 24;284(30):19786-90. doi: 10.1074/jbc.C109.016931. Epub 2009 Jun 10." Approved Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Dermatologicals; Hormone Antagonists; 5-alpha Reductase Inhibitors; Urological Agents; Cytochrome P-450 Substrates; Misc. Skin and Mucous Membrane Agents; Genito Urinary System and Sex Hormones; Steroids; Azasteroids; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Urologicals; Androstanes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Androstenes; Hormones, Hormone Substitutes, and Hormone Antagonists; Steroid Synthesis Inhibitors; Cytochrome P-450 CYP3A7 Substrates; Drugs Used in Benign Prostatic Hypertrophy" [H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C 768 46507645 D00321 PA449627 DAP000045 Finasteride CHEMBL710 25025 DB01217 Anastrozole BE0002090 CYP19A1 P11511 CP19A_HUMAN inhibitor 12404296; 14513432; 20923259 "Buzdar AU, Robertson JF, Eiermann W, Nabholtz JM: An overview of the pharmacology and pharmacokinetics of the newer generation aromatase inhibitors anastrozole, letrozole, and exemestane. Cancer. 2002 Nov 1;95(9):2006-16. doi: 10.1002/cncr.10908.@@Miller WR: Aromatase inhibitors: mechanism of action and role in the treatment of breast cancer. Semin Oncol. 2003 Aug;30(4 Suppl 14):3-11.@@Kelly CM, Buzdar AU: Anastrozole. Expert Opin Drug Saf. 2010 Nov;9(6):995-1003. doi: 10.1517/14740338.2010.515977." Approved; Investigational Phenylpropanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes "UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hormone Antagonists; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates; Aromatase Inhibitors; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Nitriles; Cytochrome P-450 CYP3A4 Substrates; Steroid Synthesis Inhibitors; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; UGT1A4 substrates; Antineoplastic Agents, Hormonal; Triazoles; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N 27 46504987 D00960 PA448432 DAP000627 Anastrozole CHEMBL1399 84857 DB01219 Dantrolene BE0000739 RYR1 P21817 RYR1_HUMAN antagonist 6704779; 9924249; 7362049; 7488490; 16945924; 15023108; 12666006; 12167662; 11752352 "Britt BA, Scott E, Frodis W, Clements MJ, Endrenyi L: Dantrolene--in vitro studies in malignant hyperthermia susceptible (MHS) and normal skeletal muscle. Can Anaesth Soc J. 1984 Mar;31(2):130-54.@@Harrison GG: Control of the malignant hyperpyrexic syndrome in MHS swine by dantrolene sodium. 1975. Br J Anaesth. 1998 Oct;81(4):626-9; discussion 625.@@Flewellen EH, Nelson TE: Dantrolene dose response in malignant hyperthermia-susceptible (MHS) swine: method to obtain prophylaxis and therapeusis. Anesthesiology. 1980 Apr;52(4):303-8.@@Tonner PH, Scholz J, Richter A, Loscher W, Steinfath M, Wappler F, Wlaz P, Hadji B, Roewer N, Schulte am Esch J: Alterations of inositol polyphosphates in skeletal muscle during porcine malignant hyperthermia. Br J Anaesth. 1995 Oct;75(4):467-71.@@Zhao X, Weisleder N, Han X, Pan Z, Parness J, Brotto M, Ma J: Azumolene inhibits a component of store-operated calcium entry coupled to the skeletal muscle ryanodine receptor. J Biol Chem. 2006 Nov 3;281(44):33477-86. Epub 2006 Aug 31.@@Krause T, Gerbershagen MU, Fiege M, Weisshorn R, Wappler F: Dantrolene--a review of its pharmacology, therapeutic use and new developments. Anaesthesia. 2004 Apr;59(4):364-73.@@Gerbershagen MU, Fiege M, Krause T, Agarwal K, Wappler F: [Dantrolene. Pharmacological and therapeutic aspects]. Anaesthesist. 2003 Mar;52(3):238-45.@@Paul-Pletzer K, Yamamoto T, Bhat MB, Ma J, Ikemoto N, Jimenez LS, Morimoto H, Williams PG, Parness J: Identification of a dantrolene-binding sequence on the skeletal muscle ryanodine receptor. J Biol Chem. 2002 Sep 20;277(38):34918-23. Epub 2002 Jul 11.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational "Agents that produce neuromuscular block (indirect); Decreased Striated Muscle Tone; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Muscle Relaxants; Decreased Striated Muscle Contraction; Imidazoles; Thyroxine-binding globulin substrates; Musculo-Skeletal System; Hepatotoxic Agents; Peripheral Nervous System Agents; Neuromuscular Agents; Hydantoins; Central Nervous System Agents; Imidazolidines; Dantrolene and Derivatives; Direct-acting Skeletal Muscle Relaxants" [O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=N\N1CC(=O)NC1=O 2402 46504976 D02347 PA449208 DNC001623 Dantrolene CHEMBL1201288 3105 DB01221 Ketamine BE0000641 GRIN3A Q8TCU5 NMD3A_HUMAN antagonist 17502428; 2858237; 18175098; 14740534 "Smothers CT, Woodward JJ: Pharmacological characterization of glycine-activated currents in HEK 293 cells expressing N-methyl-D-aspartate NR1 and NR3 subunits. J Pharmacol Exp Ther. 2007 Aug;322(2):739-48. Epub 2007 May 14.@@Harrison NL, Simmonds MA: Quantitative studies on some antagonists of N-methyl D-aspartate in slices of rat cerebral cortex. Br J Pharmacol. 1985 Feb;84(2):381-91.@@Sinner B, Graf BM: Ketamine. Handb Exp Pharmacol. 2008;(182):313-33. doi: 10.1007/978-3-540-74806-9_15.@@Radovanovic D, Pjevic M: [Ketamine: the past 30 years and its future]. Med Pregl. 2003 Sep-Oct;56(9-10):439-45." Approved; Vet_approved Chlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes "Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists" CNC1(CCCCC1=O)C1=CC=CC=C1Cl 11190 46508295 D08098 PA450144 DAP001148 Ketamine CHEMBL742 6130 DB01221 Ketamine BE0002180 BCHE P06276 CHLE_HUMAN inhibitor 9806706 "Kohrs R, Durieux ME: Ketamine: teaching an old drug new tricks. Anesth Analg. 1998 Nov;87(5):1186-93." Approved; Vet_approved Chlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes "Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists" CNC1(CCCCC1=O)C1=CC=CC=C1Cl 11190 46508295 D08098 PA450144 DAP001148 Ketamine CHEMBL742 6130 DB01221 Ketamine BE0000067 NOS1 P29475 NOS1_HUMAN inhibitor 9806706 "Kohrs R, Durieux ME: Ketamine: teaching an old drug new tricks. Anesth Analg. 1998 Nov;87(5):1186-93." Approved; Vet_approved Chlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes "Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists" CNC1(CCCCC1=O)C1=CC=CC=C1Cl 11190 46508295 D08098 PA450144 DAP001148 Ketamine CHEMBL742 6130 DB01221 Ketamine BE0000384 TACR1 P25103 NK1R_HUMAN antagonist 12818951 "Okamoto T, Minami K, Uezono Y, Ogata J, Shiraishi M, Shigematsu A, Ueta Y: The inhibitory effects of ketamine and pentobarbital on substance p receptors expressed in Xenopus oocytes. Anesth Analg. 2003 Jul;97(1):104-10, table of contents." Approved; Vet_approved Chlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes "Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists" CNC1(CCCCC1=O)C1=CC=CC=C1Cl 11190 46508295 D08098 PA450144 DAP001148 Ketamine CHEMBL742 6130 DB01221 Ketamine BE0000420 OPRD1 P41143 OPRD_HUMAN binder 6246318; 8835358 "Smith DJ, Pekoe GM, Martin LL, Coalgate B: The interaction of ketamine with the opiate receptor. Life Sci. 1980 Mar 10;26(10):789-95.@@Hustveit O, Maurset A, Oye I: Interaction of the chiral forms of ketamine with opioid, phencyclidine, sigma and muscarinic receptors. Pharmacol Toxicol. 1995 Dec;77(6):355-9." Approved; Vet_approved Chlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes "Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists" CNC1(CCCCC1=O)C1=CC=CC=C1Cl 11190 46508295 D08098 PA450144 DAP001148 Ketamine CHEMBL742 6130 DB01221 Ketamine BE0000770 OPRM1 P35372 OPRM_HUMAN binder 6246318; 8835358 "Smith DJ, Pekoe GM, Martin LL, Coalgate B: The interaction of ketamine with the opiate receptor. Life Sci. 1980 Mar 10;26(10):789-95.@@Hustveit O, Maurset A, Oye I: Interaction of the chiral forms of ketamine with opioid, phencyclidine, sigma and muscarinic receptors. Pharmacol Toxicol. 1995 Dec;77(6):355-9." Approved; Vet_approved Chlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes "Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists" CNC1(CCCCC1=O)C1=CC=CC=C1Cl 11190 46508295 D08098 PA450144 DAP001148 Ketamine CHEMBL742 6130 DB01221 Ketamine BE0004890 CHRM1 P08912 ACM5_HUMAN binder 8835358 "Hustveit O, Maurset A, Oye I: Interaction of the chiral forms of ketamine with opioid, phencyclidine, sigma and muscarinic receptors. Pharmacol Toxicol. 1995 Dec;77(6):355-9." Approved; Vet_approved Chlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes "Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists" CNC1(CCCCC1=O)C1=CC=CC=C1Cl 11190 46508295 D08098 PA450144 DAP001148 Ketamine CHEMBL742 6130 DB01221 Ketamine BE0004957 HTR2A P28335 5HT2C_HUMAN antagonist 6460944 "Martin LL, Bouchal RL, Smith DJ: Ketamine inhibits serotonin uptake in vivo. Neuropharmacology. 1982 Feb;21(2):113-8." Approved; Vet_approved Chlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes "Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists" CNC1(CCCCC1=O)C1=CC=CC=C1Cl 11190 46508295 D08098 PA450144 DAP001148 Ketamine CHEMBL742 6130 DB01222 Budesonide BE0000794 NR3C1 P04150 GCR_HUMAN agonist 11040338; 11258648; 11730731; 12601049; 12920235; 11752352 "Zhang X, Moilanen E, Kankaanranta H: Enhancement of human eosinophil apoptosis by fluticasone propionate, budesonide, and beclomethasone. Eur J Pharmacol. 2000 Oct 20;406(3):325-32.@@Henriksson G, Norlander T, Forsgren J, Stierna P: Effects of topical budesonide treatment on glucocorticoid receptor mRNA down-regulation and cytokine patterns in nasal polyps. Am J Rhinol. 2001 Jan-Feb;15(1):1-8.@@Zhang X, Moilanen E, Kankaanranta H: Beclomethasone, budesonide and fluticasone propionate inhibit human neutrophil apoptosis. Eur J Pharmacol. 2001 Nov 23;431(3):365-71.@@Kompella UB, Bandi N, Ayalasomayajula SP: Subconjunctival nano- and microparticles sustain retinal delivery of budesonide, a corticosteroid capable of inhibiting VEGF expression. Invest Ophthalmol Vis Sci. 2003 Mar;44(3):1192-201.@@Kunz S, Sandoval R, Carlsson P, Carlstedt-Duke J, Bloom JW, Miesfeld RL: Identification of a novel glucocorticoid receptor mutation in budesonide-resistant human bronchial epithelial cells. Mol Endocrinol. 2003 Dec;17(12):2566-82. Epub 2003 Aug 14.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnenes; Pregnanes; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Autonomic Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Corticosteroids Acting Locally; Bronchodilator Agents; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Nasal Preparations; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A5 Inducers (moderate); Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Intestinal Antiinflammatory Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Pregnenediones; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP2C9 Inducers; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@H]3OC(CCC)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7581 46504869 D00246 PA448681 DAP000320 Budesonide CHEMBL1370 19831 DB01222 Budesonide BE0000422 ANXA1 P04083 ANXA1_HUMAN substrate 8060156 "Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72." Approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnenes; Pregnanes; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Autonomic Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Corticosteroids Acting Locally; Bronchodilator Agents; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Nasal Preparations; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A5 Inducers (moderate); Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Intestinal Antiinflammatory Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Pregnenediones; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP2C9 Inducers; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@H]3OC(CCC)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7581 46504869 D00246 PA448681 DAP000320 Budesonide CHEMBL1370 19831 DB01223 Aminophylline BE0000436 PDE3A Q14432 PDE3A_HUMAN inhibitor 11939921; 11752352 "Hirota K, Yoshioka H, Kabara S, Koizumi Y, Abe H, Sato T, Matsuki A: Spasmolytic effects of colforsin daropate on serotonin-induced pulmonary hypertension and bronchoconstriction in dogs. Acta Anaesthesiol Scand. 2002 Mar;46(3):297-302.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Monoalkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Purines; Amines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Protective Agents; Autonomic Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cardiotonic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Polyamines; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Diamines; Xanthine derivatives; Phosphodiesterase Inhibitors; Compounds used in a research, industrial, or household setting; Pharmaceutical Preparations; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Ethylenediamines; Purinergic Antagonists" NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.CN1C2=C(NC=N2)C(=O)N(C)C1=O 9963 46508784 D00227 PA164781029 DAP000613 Aminophylline CHEMBL1370561 689 DB01223 Aminophylline BE0002366 HDAC2 Q92769 HDAC2_HUMAN activator 12070353 "Ito K, Lim S, Caramori G, Cosio B, Chung KF, Adcock IM, Barnes PJ: A molecular mechanism of action of theophylline: Induction of histone deacetylase activity to decrease inflammatory gene expression. Proc Natl Acad Sci U S A. 2002 Jun 25;99(13):8921-6. Epub 2002 Jun 17." Approved Monoalkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Purines; Amines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Protective Agents; Autonomic Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cardiotonic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Polyamines; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Diamines; Xanthine derivatives; Phosphodiesterase Inhibitors; Compounds used in a research, industrial, or household setting; Pharmaceutical Preparations; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Ethylenediamines; Purinergic Antagonists" NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.CN1C2=C(NC=N2)C(=O)N(C)C1=O 9963 46508784 D00227 PA164781029 DAP000613 Aminophylline CHEMBL1370561 689 DB01224 Quetiapine BE0000476 HTR1E P28566 5HT1E_HUMAN ligand 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved Dibenzothiazepines Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates" OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12 Quetiapine H1-Antihistamine Action drug_action 11718 46504800 D08456 PA451201 DAP000001 Quetiapine CHEMBL716 51272 DB01224 Quetiapine BE0000533 HTR2C P28335 5HT2C_HUMAN ligand 11132243; 17848919 "Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11." Approved Dibenzothiazepines Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates" OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12 Quetiapine H1-Antihistamine Action drug_action 11718 46504800 D08456 PA451201 DAP000001 Quetiapine CHEMBL716 51272 DB01224 Quetiapine BE0000650 HTR7 P34969 5HT7R_HUMAN ligand 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved Dibenzothiazepines Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates" OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12 Quetiapine H1-Antihistamine Action drug_action 11718 46504800 D08456 PA451201 DAP000001 Quetiapine CHEMBL716 51272 DB01224 Quetiapine BE0000581 DRD3 P35462 DRD3_HUMAN ligand 17848919; 20392299; 12544369 "Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Vernaleken I, Janouschek H, Raptis M, Hellmann S, Veselinovic T, Brocheler A, Boy C, Cumming P, Hiemke C, Rosch F, Schafer WM, Grunder G: Dopamine D2/3 receptor occupancy by quetiapine in striatal and extrastriatal areas. Int J Neuropsychopharmacol. 2010 Aug;13(7):951-60. doi: 10.1017/S1461145710000374. Epub 2010 Apr 15.@@Bressan RA, Erlandsson K, Jones HM, Mulligan RS, Ell PJ, Pilowsky LS: Optimizing limbic selective D2/D3 receptor occupancy by risperidone: a [123I]-epidepride SPET study. J Clin Psychopharmacol. 2003 Feb;23(1):5-14. doi: 10.1097/00004714-200302000-00002." Approved Dibenzothiazepines Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates" OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12 Quetiapine H1-Antihistamine Action drug_action 11718 46504800 D08456 PA451201 DAP000001 Quetiapine CHEMBL716 51272 DB01224 Quetiapine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 11132243; 17848919 "Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11." Approved Dibenzothiazepines Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates" OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12 Quetiapine H1-Antihistamine Action drug_action 11718 46504800 D08456 PA451201 DAP000001 Quetiapine CHEMBL716 51272 DB01224 Quetiapine BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist 11132243; 17848919; 15475871 "Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Shayegan DK, Stahl SM: Atypical antipsychotics: matching receptor profile to individual patient's clinical profile. CNS Spectr. 2004 Oct;9(10 Suppl 11):6-14." Approved Dibenzothiazepines Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates" OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12 Quetiapine H1-Antihistamine Action drug_action 11718 46504800 D08456 PA451201 DAP000001 Quetiapine CHEMBL716 51272 DB01224 Quetiapine BE0000560 CHRM2 P08172 ACM2_HUMAN ligand 11132243; 17848919 "Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11." Approved Dibenzothiazepines Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates" OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12 Quetiapine H1-Antihistamine Action drug_action 11718 46504800 D08456 PA451201 DAP000001 Quetiapine CHEMBL716 51272 DB01224 Quetiapine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 11132243; 17848919; 21336576; 20066171 "Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Vehof J, Risselada AJ, Al Hadithy AF, Burger H, Snieder H, Wilffert B, Arends J, Wunderink L, Knegtering H, Wiersma D, Cohen D, Mulder H, Bruggeman R: Association of genetic variants of the histamine H1 and muscarinic M3 receptors with BMI and HbA1c values in patients on antipsychotic medication. Psychopharmacology (Berl). 2011 Jul;216(2):257-65. doi: 10.1007/s00213-011-2211-x. Epub 2011 Feb 19.@@Muller C, Reuter H, Dohmen C: Intoxication after extreme oral overdose of quetiapine to attempt suicide: pharmacological concerns of side effects. Case Rep Med. 2009;2009:371698. doi: 10.1155/2009/371698. Epub 2010 Jan 3." Approved Dibenzothiazepines Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates" OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12 Quetiapine H1-Antihistamine Action drug_action 11718 46504800 D08456 PA451201 DAP000001 Quetiapine CHEMBL716 51272 DB01224 Quetiapine BE0000247 CHRM5 P08912 ACM5_HUMAN ligand 11132243; 17848919 "Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11." Approved Dibenzothiazepines Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates" OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12 Quetiapine H1-Antihistamine Action drug_action 11718 46504800 D08456 PA451201 DAP000001 Quetiapine CHEMBL716 51272 DB01225 Enoxaparin BE0000216 F10 P00742 FA10_HUMAN inhibitor 17474542; 17509040; 16187968; 15675440; 17567541 "Graff J, Picard-Willems B, Harder S: Monitoring effects of direct FXa-inhibitors with a new one-step prothrombinase-induced clotting time (PiCT) assay: comparative in vitro investigation with heparin, enoxaparin, fondaparinux and DX 9065a. Int J Clin Pharmacol Ther. 2007 Apr;45(4):237-43.@@Berges A, Laporte S, Epinat M, Zufferey P, Alamartine E, Tranchand B, Decousus H, Mismetti P: Anti-factor Xa activity of enoxaparin administered at prophylactic dosage to patients over 75 years old. Br J Clin Pharmacol. 2007 Oct;64(4):428-38. Epub 2007 May 17.@@Sanchez-Pena P, Hulot JS, Urien S, Ankri A, Collet JP, Choussat R, Lechat P, Montalescot G: Anti-factor Xa kinetics after intravenous enoxaparin in patients undergoing percutaneous coronary intervention: a population model analysis. Br J Clin Pharmacol. 2005 Oct;60(4):364-73.@@Dalmora SL, Junior LB, Schmidt CA, Vaccari SF, Oliveira PR, Codevilla CF: Validation of the anti-factor Xa assay for the potency assessment of enoxaparin in pharmaceutical formulations. J AOAC Int. 2004 Nov-Dec;87(6):1305-8.@@Paige JT, Gouda BP, Gaitor-Stampley V, Scalia PG, Klainer TE, Raum WJ, Martin LF: No correlation between anti-factor Xa levels, low-molecular-weight heparin, and bleeding after gastric bypass. Surg Obes Relat Dis. 2007 Jul-Aug;3(4):469-75. Epub 2007 Jun 12." Approved Heparin (Low Molecular Weight); Cardiovascular Agents; Glycosaminoglycans; Heparin Group; Agents causing hyperkalemia; Blood and Blood Forming Organs; Heparin and similars; Anticoagulants; Hematologic Agents; Fibrin Modulating Agents 763 46507450 D07510 PA449463 DAP000616 Enoxaparin_sodium CHEMBL1201685 67108 DB01226 Mivacurium BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 9523819 "Hou VY, Hirshman CA, Emala CW: Neuromuscular relaxants as antagonists for M2 and M3 muscarinic receptors. Anesthesiology. 1998 Mar;88(3):744-50." Approved Benzylisoquinolines Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines "Anticholinergic Agents; Muscarinic Antagonists; Neuromuscular Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Nicotinic Antagonists; Central Nervous System Depressants; Muscle Relaxants; Cholinesterase substrates; Isoquinolines; Neuromuscular-Blocking Agents (Nondepolarizing); Muscle Relaxants, Peripherally Acting Agents; Agents producing tachycardia; Cholinergic Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents" COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC 11976 46505071 PA450528 DAP000716 Mivacurium_chloride CHEMBL1182833 30077 DB01226 Mivacurium BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 19020136 "Habre W, Adamicza A, Lele E, Novak T, Sly PD, Petak F: The involvement of histaminic and muscarinic receptors in the bronchoconstriction induced by myorelaxant administration in sensitized rabbits. Anesth Analg. 2008 Dec;107(6):1899-906. doi: 10.1213/ane.0b013e318186587c." Approved Benzylisoquinolines Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines "Anticholinergic Agents; Muscarinic Antagonists; Neuromuscular Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Nicotinic Antagonists; Central Nervous System Depressants; Muscle Relaxants; Cholinesterase substrates; Isoquinolines; Neuromuscular-Blocking Agents (Nondepolarizing); Muscle Relaxants, Peripherally Acting Agents; Agents producing tachycardia; Cholinergic Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents" COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC 11976 46505071 PA450528 DAP000716 Mivacurium_chloride CHEMBL1182833 30077 DB01226 Mivacurium BE0002180 BCHE P06276 CHLE_HUMAN 8922768 "Kao YJ, Le ND: The reversal of profound mivacurium-induced neuromuscular blockade. Can J Anaesth. 1996 Nov;43(11):1128-33." Approved Benzylisoquinolines Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines "Anticholinergic Agents; Muscarinic Antagonists; Neuromuscular Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Nicotinic Antagonists; Central Nervous System Depressants; Muscle Relaxants; Cholinesterase substrates; Isoquinolines; Neuromuscular-Blocking Agents (Nondepolarizing); Muscle Relaxants, Peripherally Acting Agents; Agents producing tachycardia; Cholinergic Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents" COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC 11976 46505071 PA450528 DAP000716 Mivacurium_chloride CHEMBL1182833 30077 DB01227 Levacetylmethadol BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 9360954; 2471291; 10911931; 11561100; 11752352 "Yu Y, Zhang L, Yin X, Sun H, Uhl GR, Wang JB: Mu opioid receptor phosphorylation, desensitization, and ligand efficacy. J Biol Chem. 1997 Nov 14;272(46):28869-74.@@Skoulis NP, James RC, Harbison RD, Roberts SM: Depression of hepatic glutathione by opioid analgesic drugs in mice. Toxicol Appl Pharmacol. 1989 Jun 1;99(1):139-47.@@Kreek MJ: Methadone-related opioid agonist pharmacotherapy for heroin addiction. History, recent molecular and neurochemical research and future in mainstream medicine. Ann N Y Acad Sci. 2000;909:186-216.@@Xiao Y, Smith RD, Caruso FS, Kellar KJ: Blockade of rat alpha3beta4 nicotinic receptor function by methadone, its metabolites, and structural analogs. J Pharmacol Exp Ther. 2001 Oct;299(1):366-71.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Withdrawn Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Sensory System Agents; Nicotinic Antagonists; QTc Prolonging Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Drugs Used in Addictive Disorders; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs Used in Opioid Dependence; Anticholinergic Agents; Ketones; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Opioids CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 Levomethadyl Acetate Metabolism Pathway; Levomethadyl Acetate Action Action Pathway drug_metabolism; drug_action 46507749 D04716 PA450215 DAP001139 Levacetylmethadol CHEMBL1514 237005 DB01227 Levacetylmethadol BE0003585 CHRNA3 P32297 ACHA3_HUMAN antagonist 11561100 "Xiao Y, Smith RD, Caruso FS, Kellar KJ: Blockade of rat alpha3beta4 nicotinic receptor function by methadone, its metabolites, and structural analogs. J Pharmacol Exp Ther. 2001 Oct;299(1):366-71." Approved; Investigational; Withdrawn Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Sensory System Agents; Nicotinic Antagonists; QTc Prolonging Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Drugs Used in Addictive Disorders; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs Used in Opioid Dependence; Anticholinergic Agents; Ketones; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Opioids CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 Levomethadyl Acetate Metabolism Pathway; Levomethadyl Acetate Action Action Pathway drug_metabolism; drug_action 46507749 D04716 PA450215 DAP001139 Levacetylmethadol CHEMBL1514 237005 DB01229 Paclitaxel BE0000026 TUBB1 Q9H4B7 TBB1_HUMAN inhibitor 17139284; 17016423; 19575780; 1350385; 17314054 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Cheung CH, Chen HH, Kuo CC, Chang CY, Coumar MS, Hsieh HP, Chang JY: Survivin counteracts the therapeutic effect of microtubule de-stabilizers by stabilizing tubulin polymers. Mol Cancer. 2009 Jul 3;8:43. doi: 10.1186/1476-4598-8-43.@@Horwitz SB: Mechanism of action of taxol. Trends Pharmacol Sci. 1992 Apr;13(4):134-6.@@Kovacs P, Csaba G, Pallinger E, Czaker R: Effects of taxol treatment on the microtubular system and mitochondria of Tetrahymena. Cell Biol Int. 2007 Jul;31(7):724-32. Epub 2007 Jan 14." Approved; Vet_approved Taxanes and derivatives Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids "Tubulin Modulators; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Proteins; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Terpenes; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Neurotoxic agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Albumins; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors" [H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C Paclitaxel Action Pathway drug_action 732 46506910 D00491 PA450761 DNC001411 Paclitaxel CHEMBL428647 56946 DB01229 Paclitaxel BE0000246 BCL2 P10415 BCL2_HUMAN inhibitor 16741658; 16895478; 17062688; 17119350; 17230521 "Gan Y, Wientjes MG, Au JL: Expression of basic fibroblast growth factor correlates with resistance to paclitaxel in human patient tumors. Pharm Res. 2006 Jun;23(6):1324-31. Epub 2006 Jun 8.@@Thomadaki H, Talieri M, Scorilas A: Treatment of MCF-7 cells with taxol and etoposide induces distinct alterations in the expression of apoptosis-related genes BCL2, BCL2L12, BAX, CASPASE-9 and FAS. Biol Chem. 2006 Aug;387(8):1081-6.@@Yoshino T, Shiina H, Urakami S, Kikuno N, Yoneda T, Shigeno K, Igawa M: Bcl-2 expression as a predictive marker of hormone-refractory prostate cancer treated with taxane-based chemotherapy. Clin Cancer Res. 2006 Oct 15;12(20 Pt 1):6116-24.@@Matsuyoshi S, Shimada K, Nakamura M, Ishida E, Konishi N: Bcl-2 phosphorylation has pathological significance in human breast cancer. Pathobiology. 2006;73(4):205-12.@@Zhang X, Wang Q, Ling MT, Wong YC, Leung SC, Wang X: Anti-apoptotic role of TWIST and its association with Akt pathway in mediating taxol resistance in nasopharyngeal carcinoma cells. Int J Cancer. 2007 May 1;120(9):1891-8." Approved; Vet_approved Taxanes and derivatives Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids "Tubulin Modulators; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Proteins; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Terpenes; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Neurotoxic agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Albumins; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors" [H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C Paclitaxel Action Pathway drug_action 732 46506910 D00491 PA450761 DNC001411 Paclitaxel CHEMBL428647 56946 DB01229 Paclitaxel BE0003475 MAP4 P27816 MAP4_HUMAN 18068131 "McGrogan BT, Gilmartin B, Carney DN, McCann A: Taxanes, microtubules and chemoresistant breast cancer. Biochim Biophys Acta. 2008 Apr;1785(2):96-132. Epub 2007 Nov 12." Approved; Vet_approved Taxanes and derivatives Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids "Tubulin Modulators; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Proteins; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Terpenes; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Neurotoxic agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Albumins; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors" [H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C Paclitaxel Action Pathway drug_action 732 46506910 D00491 PA450761 DNC001411 Paclitaxel CHEMBL428647 56946 DB01229 Paclitaxel BE0001100 MAP2 P11137 MTAP2_HUMAN 18068131 "McGrogan BT, Gilmartin B, Carney DN, McCann A: Taxanes, microtubules and chemoresistant breast cancer. Biochim Biophys Acta. 2008 Apr;1785(2):96-132. Epub 2007 Nov 12." Approved; Vet_approved Taxanes and derivatives Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids "Tubulin Modulators; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Proteins; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Terpenes; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Neurotoxic agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Albumins; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors" [H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C Paclitaxel Action Pathway drug_action 732 46506910 D00491 PA450761 DNC001411 Paclitaxel CHEMBL428647 56946 DB01231 Diphenidol BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 10497897; 9851542; 9454790; 9059856; 8050463; 12185001; 10530931; 1863523 "Pelat M, Lazartigues E, Tran MA, Gharib C, Montastruc JL, Montastruc P, Rascol O: Characterization of the central muscarinic cholinoceptors involved in the cholinergic pressor response in anesthetized dogs. Eur J Pharmacol. 1999 Aug 27;379(2-3):117-24.@@Lazartigues E, Freslon JL, Tellioglu T, Brefel-Courbon C, Pelat M, Tran MA, Montastruc JL, Rascol O: Pressor and bradycardic effects of tacrine and other acetylcholinesterase inhibitors in the rat. Eur J Pharmacol. 1998 Nov 13;361(1):61-71.@@Kovacs I, Yamamura HI, Waite SL, Varga EV, Roeske WR: Pharmacological comparison of the cloned human and rat M2 muscarinic receptor genes expressed in the murine fibroblast (B82) cell line. J Pharmacol Exp Ther. 1998 Feb;284(2):500-7.@@Pavia J, Munoz M, Jimenez E, Martos F, Gonzalez-Correa JA, De la Cruz JP, Garcia V, Sanchez de la Cuesta F: Pharmacological characterization and distribution of muscarinic receptors in human placental syncytiotrophoblast brush-border and basal plasma membranes. Eur J Pharmacol. 1997 Feb 12;320(2-3):209-14.@@Jovanovic A, Grbovic L, Tulic I: Endothelium-dependent relaxation in response to acetylcholine in the human uterine artery. Eur J Pharmacol. 1994 Apr 21;256(2):131-9.@@Braverman AS, Tallarida RJ, Ruggieri MR Sr: Interaction between muscarinic receptor subtype signal transduction pathways mediating bladder contraction. Am J Physiol Regul Integr Comp Physiol. 2002 Sep;283(3):R663-8.@@Varoli L, Angeli P, Burnelli S, Marucci G, Recanatini M: Synthesis and antagonistic activity at muscarinic receptor subtypes of some 2-carbonyl derivatives of diphenidol. Bioorg Med Chem. 1999 Sep;7(9):1837-44.@@Waelbroeck M, Camus J, Tastenoy M, Mutschler E, Strohmann C, Tacke R, Lambrecht G, Christophe J: Stereoselectivity of (R)- and (S)-hexahydro-difenidol binding to neuroblastoma M1, cardiac M2, pancreatic M3, and striatum M4 muscarinic receptors. Chirality. 1991;3(2):118-23." Approved; Investigational; Withdrawn Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Anticholinergic Agents; Muscarinic Antagonists; Central Nervous System Agents; Antiemetics; Emesis Suppression; Agents producing tachycardia; Gastrointestinal Agents; Peripheral Nervous System Agents; Autonomic Agents OC(CCCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1 46506486 D03858 PA164746037 DAP001133 Diphenidol CHEMBL936 23370 DB01231 Diphenidol BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 17139284; 17016423; 12185001; 10530931; 1863523 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Braverman AS, Tallarida RJ, Ruggieri MR Sr: Interaction between muscarinic receptor subtype signal transduction pathways mediating bladder contraction. Am J Physiol Regul Integr Comp Physiol. 2002 Sep;283(3):R663-8.@@Varoli L, Angeli P, Burnelli S, Marucci G, Recanatini M: Synthesis and antagonistic activity at muscarinic receptor subtypes of some 2-carbonyl derivatives of diphenidol. Bioorg Med Chem. 1999 Sep;7(9):1837-44.@@Waelbroeck M, Camus J, Tastenoy M, Mutschler E, Strohmann C, Tacke R, Lambrecht G, Christophe J: Stereoselectivity of (R)- and (S)-hexahydro-difenidol binding to neuroblastoma M1, cardiac M2, pancreatic M3, and striatum M4 muscarinic receptors. Chirality. 1991;3(2):118-23." Approved; Investigational; Withdrawn Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Anticholinergic Agents; Muscarinic Antagonists; Central Nervous System Agents; Antiemetics; Emesis Suppression; Agents producing tachycardia; Gastrointestinal Agents; Peripheral Nervous System Agents; Autonomic Agents OC(CCCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1 46506486 D03858 PA164746037 DAP001133 Diphenidol CHEMBL936 23370 DB01233 Metoclopramide BE0000084 HTR4 Q13639 5HT4R_HUMAN agonist 18948374; 21278804; 21585331 "Guillemot J, Compagnon P, Cartier D, Thouennon E, Bastard C, Lihrmann I, Pichon P, Thuillez C, Plouin PF, Bertherat J, Anouar Y, Kuhn JM, Yon L, Lefebvre H: Metoclopramide stimulates catecholamine- and granin-derived peptide secretion from pheochromocytoma cells through activation of serotonin type 4 (5-HT4) receptors. Endocr Relat Cancer. 2009 Mar;16(1):281-90. doi: 10.1677/ERC-08-0190. Epub 2008 Oct 23.@@Lee A, Kuo B: Metoclopramide in the treatment of diabetic gastroparesis. Expert Rev Endocrinol Metab. 2010;5(5):653-662.@@Bartolini A, Di Cesare Mannelli L, Ghelardini C: Analgesic and antineuropathic drugs acting through central cholinergic mechanisms. Recent Pat CNS Drug Discov. 2011 May 1;6(2):119-40." Approved; Investigational Aminophenyl ethers Organic compounds; Benzenoids; Phenol ethers; Aminophenyl ethers "Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; Hydroxybenzoates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Autonomic Agents; Gastrointestinal Agents; Central Nervous System Depressants; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Benzamides and benzamide derivatives; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Alimentary Tract and Metabolism; Dopamine D2 Receptor Antagonists; Aminobenzoates; Potential QTc-Prolonging Agents; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2D6 Substrates; Acids, Carbocyclic; Prokinetic Agents; Cytochrome P-450 CYP3A4 Substrates; Propulsives; para-Aminobenzoates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Peripheral Nervous System Agents; Chlorobenzoates; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Cholinesterase Inhibitors; Neurotransmitter Agents; Antiemetics; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents" CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC 3775 46505631 D00726 PA450475 DAP000530 Metoclopramide CHEMBL86 6915 DB01234 Dexamethasone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 16835395; 16891588; 16956592; 16963802; 16971495; 11752352 "Warne JP, John CD, Christian HC, Morris JF, Flower RJ, Sugden D, Solito E, Gillies GE, Buckingham JC: Gene deletion reveals roles for annexin A1 in the regulation of lipolysis and IL-6 release in epididymal adipose tissue. Am J Physiol Endocrinol Metab. 2006 Dec;291(6):E1264-73. Epub 2006 Jul 11.@@Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Funato H, Kobayashi A, Watanabe Y: Differential effects of antidepressants on dexamethasone-induced nuclear translocation and expression of glucocorticoid receptor. Brain Res. 2006 Oct 30;1117(1):125-34. Epub 2006 Sep 7.@@Vaitkuviene A, Ulinskaite A, Meskys R, Duburs G, Klusa V, Liutkevicius E: Study of the interaction of 1,4-dihydropyridine derivatives with glucocorticoid hormone receptors from the rat liver. Pharmacol Rep. 2006 Jul-Aug;58(4):551-8.@@Wang D, Zhang H, Lang F, Yun CC: Acute activation of NHE3 by dexamethasone correlates with activation of SGK1 and requires a functional glucocorticoid receptor. Am J Physiol Cell Physiol. 2007 Jan;292(1):C396-404. Epub 2006 Sep 13.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 CYP3A Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Ophthalmological and Otological Preparations; Fused-Ring Compounds; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A Inducers; Pregnadienes; Pregnanes; Corticosteroids for Systemic Use, Plain; Dermatologicals; P-glycoprotein inducers; Autonomic Agents; Anti-Acne Preparations; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Steroids, Fluorinated; Cytochrome P-450 CYP3A5 Inducers; Peripheral Nervous System Agents; Corticosteroids, Moderately Potent (Group II); Antineoplastic Agents, Hormonal; Cytochrome P-450 CYP3A7 Substrates; Corticosteroids for Systemic Use; Vasoprotectives; Anti-Acne Preparations for Topical Use; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (moderate); Cytochrome P-450 CYP3A4 Inhibitors (weak); Corticosteroids for Local Oral Treatment; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; P-glycoprotein substrates; Pregnadienetriols; Otologicals; Cytochrome P-450 CYP3A5 Inducers (moderate); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Corticosteroid Hormone Receptor Agonists; Sensory Organs; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP3A7 Inducers; Gastrointestinal Agents; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Stomatological Preparations; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Ophthalmologicals; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Inducers of Drug Clearance; Antiemetics; Adrenals; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7602 46508930 D00292 PA449247 DAP000007 Dexamethasone CHEMBL384467 3264 DB01234 Dexamethasone BE0000422 ANXA1 P04083 ANXA1_HUMAN agonist 16883066; 17076770; 17158208; 17644190 "Morand EF, Hall P, Hutchinson P, Yang YH: Regulation of annexin I in rheumatoid synovial cells by glucocorticoids and interleukin-1. Mediators Inflamm. 2006;2006(2):73835.@@John CD, Theogaraj E, Christian HC, Morris JF, Smith SF, Buckingham JC: Time-specific effects of perinatal glucocorticoid treatment on anterior pituitary morphology, annexin 1 expression and adrenocorticotrophic hormone secretion in the adult female rat. J Neuroendocrinol. 2006 Dec;18(12):949-59.@@Davies E, Omer S, Buckingham JC, Morris JF, Christian HC: Expression and externalization of annexin 1 in the adrenal gland: structure and function of the adrenal gland in annexin 1-null mutant mice. Endocrinology. 2007 Mar;148(3):1030-8. Epub 2006 Dec 7.@@Wang C, Wang J, Guo HF, Liu RY: Involvement of annexin I in the dexamethasone-mediated upregulation of A549 cells phagocytosis of apoptotic eosinophils. Immunol Lett. 2007 Aug 15;111(2):103-10. Epub 2007 Jul 2." Approved; Investigational; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 CYP3A Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Ophthalmological and Otological Preparations; Fused-Ring Compounds; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A Inducers; Pregnadienes; Pregnanes; Corticosteroids for Systemic Use, Plain; Dermatologicals; P-glycoprotein inducers; Autonomic Agents; Anti-Acne Preparations; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Steroids, Fluorinated; Cytochrome P-450 CYP3A5 Inducers; Peripheral Nervous System Agents; Corticosteroids, Moderately Potent (Group II); Antineoplastic Agents, Hormonal; Cytochrome P-450 CYP3A7 Substrates; Corticosteroids for Systemic Use; Vasoprotectives; Anti-Acne Preparations for Topical Use; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (moderate); Cytochrome P-450 CYP3A4 Inhibitors (weak); Corticosteroids for Local Oral Treatment; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; P-glycoprotein substrates; Pregnadienetriols; Otologicals; Cytochrome P-450 CYP3A5 Inducers (moderate); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Corticosteroid Hormone Receptor Agonists; Sensory Organs; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP3A7 Inducers; Gastrointestinal Agents; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Stomatological Preparations; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Ophthalmologicals; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Inducers of Drug Clearance; Antiemetics; Adrenals; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7602 46508930 D00292 PA449247 DAP000007 Dexamethasone CHEMBL384467 3264 DB01234 Dexamethasone BE0000005 NOS2 P35228 NOS2_HUMAN negative modulator 17379310; 17494951; 17503181; 11752352 "Soderberg M, Raffalli-Mathieu F, Lang MA: Regulation of the murine inducible nitric oxide synthase gene by dexamethasone involves a heterogeneous nuclear ribonucleoprotein I (hnRNPI) dependent pathway. Mol Immunol. 2007 May;44(12):3204-10. Epub 2007 Mar 26.@@Huang H, Lavoie-Lamoureux A, Moran K, Lavoie JP: IL-4 stimulates the expression of CXCL-8, E-selectin, VEGF, and inducible nitric oxide synthase mRNA by equine pulmonary artery endothelial cells. Am J Physiol Lung Cell Mol Physiol. 2007 May;292(5):L1147-54.@@Nandi J, Saud B, Zinkievich JM, Palma DT, Levine RA: 5-aminosalicylic acid improves indomethacin-induced enteropathy by inhibiting iNOS transcription in rats. Dig Dis Sci. 2008 Jan;53(1):123-32. Epub 2007 May 15.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 CYP3A Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Ophthalmological and Otological Preparations; Fused-Ring Compounds; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A Inducers; Pregnadienes; Pregnanes; Corticosteroids for Systemic Use, Plain; Dermatologicals; P-glycoprotein inducers; Autonomic Agents; Anti-Acne Preparations; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Steroids, Fluorinated; Cytochrome P-450 CYP3A5 Inducers; Peripheral Nervous System Agents; Corticosteroids, Moderately Potent (Group II); Antineoplastic Agents, Hormonal; Cytochrome P-450 CYP3A7 Substrates; Corticosteroids for Systemic Use; Vasoprotectives; Anti-Acne Preparations for Topical Use; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (moderate); Cytochrome P-450 CYP3A4 Inhibitors (weak); Corticosteroids for Local Oral Treatment; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; P-glycoprotein substrates; Pregnadienetriols; Otologicals; Cytochrome P-450 CYP3A5 Inducers (moderate); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Corticosteroid Hormone Receptor Agonists; Sensory Organs; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP3A7 Inducers; Gastrointestinal Agents; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Stomatological Preparations; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Ophthalmologicals; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Inducers of Drug Clearance; Antiemetics; Adrenals; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7602 46508930 D00292 PA449247 DAP000007 Dexamethasone CHEMBL384467 3264 DB01235 Levodopa BE0000581 DRD3 P35462 DRD3_HUMAN agonist 18549347; 11978145; 9633680 "Onofrj M, Bonanni L, Thomas A: An expert opinion on safinamide in Parkinson's disease. Expert Opin Investig Drugs. 2008 Jul;17(7):1115-25. doi: 10.1517/13543784.17.7.1115 .@@Deleu D, Northway MG, Hanssens Y: Clinical pharmacokinetic and pharmacodynamic properties of drugs used in the treatment of Parkinson's disease. Clin Pharmacokinet. 2002;41(4):261-309.@@Koller WC, Rueda MG: Mechanism of action of dopaminergic agents in Parkinson's disease. Neurology. 1998 Jun;50(6 Suppl 6):S11-4; discussion S44-8. doi: 10.1212/wnl.50.6_suppl_6.s11." Approved Tyrosine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amines; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Catecholamines; Benzene Derivatives; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Dihydroxyphenylalanine; Hypotensive Agents; Central Nervous System Depressants; Phenols; Amino Acids; Levodopa, antagonists & inhibitors; Anti-Parkinson Drugs; Amino Acids, Cyclic; Catechols; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Biogenic Monoamines; Neurotransmitter Agents; Nervous System; Dopa and Dopa Derivatives; Dopamine Agents; Anti-Dyskinesia Agents" N[C@@H](CC1=CC(O)=C(O)C=C1)C(O)=O "Tyrosine Metabolism; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Monoamine Oxidase-A Deficiency (MAO-A); Catecholamine Biosynthesis; Tyrosinemia, Transient, of the Newborn; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency" disease; metabolic; drug_action 4068 46508120 D00059 PA450213 DAP000209 Levodopa CHEMBL1009 6375 DB01236 Sevoflurane BE0000433 GLRA1 P23415 GLRA1_HUMAN agonist 7509043; 12761368 "Franks NP, Lieb WR: Molecular and cellular mechanisms of general anaesthesia. Nature. 1994 Feb 17;367(6464):607-14. doi: 10.1038/367607a0.@@Campagna JA, Miller KW, Forman SA: Mechanisms of actions of inhaled anesthetics. N Engl J Med. 2003 May 22;348(21):2110-24. doi: 10.1056/NEJMra021261." Approved; Vet_approved Dialkyl ethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Anesthetics, General; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2E1 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2A6 Substrates; Methyl Ethers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Hydrocarbons, Fluorinated; Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation" FCOC(C(F)(F)F)C(F)(F)F 169 46508591 D00547 PA451341 DAP000694 Sevoflurane CHEMBL1200694 36453 DB01236 Sevoflurane BE0000640 GRIA1 P42261 GRIA1_HUMAN antagonist 7509043; 12761368 "Franks NP, Lieb WR: Molecular and cellular mechanisms of general anaesthesia. Nature. 1994 Feb 17;367(6464):607-14. doi: 10.1038/367607a0.@@Campagna JA, Miller KW, Forman SA: Mechanisms of actions of inhaled anesthetics. N Engl J Med. 2003 May 22;348(21):2110-24. doi: 10.1056/NEJMra021261." Approved; Vet_approved Dialkyl ethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Anesthetics, General; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2E1 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2A6 Substrates; Methyl Ethers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Hydrocarbons, Fluorinated; Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation" FCOC(C(F)(F)F)C(F)(F)F 169 46508591 D00547 PA451341 DAP000694 Sevoflurane CHEMBL1200694 36453 DB01236 Sevoflurane BE0010002 ATP2C1 P16615 AT2A2_HUMAN inhibitor 7499320; 16533663; 29310813; 7509043 "Lopez MM, Kosk-Kosicka D: How do volatile anesthetics inhibit Ca(2+)-ATPases? J Biol Chem. 1995 Nov 24;270(47):28239-45.@@Pinheiro AC, Gomez RS, Guatimosim C, Silva JH, Prado MA, Gomez MV: The effect of sevoflurane on intracellular calcium concentration from cholinergic cells. Brain Res Bull. 2006 Mar 31;69(2):147-52. doi: 10.1016/j.brainresbull.2005.11.016. Epub 2005 Dec 19.@@Liu TJ, Zhang JC, Gao XZ, Tan ZB, Wang JJ, Zhang PP, Cheng AB, Zhang SB: Effect of sevoflurane on the ATPase activity of hippocampal neurons in a rat model of cerebral ischemia-reperfusion injury via the cAMP-PKA signaling pathway. Kaohsiung J Med Sci. 2018 Jan;34(1):22-33. doi: 10.1016/j.kjms.2017.09.004. Epub 2017 Nov 14.@@Franks NP, Lieb WR: Molecular and cellular mechanisms of general anaesthesia. Nature. 1994 Feb 17;367(6464):607-14. doi: 10.1038/367607a0." Approved; Vet_approved Dialkyl ethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Anesthetics, General; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2E1 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2A6 Substrates; Methyl Ethers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Hydrocarbons, Fluorinated; Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation" FCOC(C(F)(F)F)C(F)(F)F 169 46508591 D00547 PA451341 DAP000694 Sevoflurane CHEMBL1200694 36453 DB01237 Bromodiphenhydramine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 17139284; 17016423; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Amines; Aminoalkyl Ethers; Histamine Antagonists; Histamine H1 Antagonists; Antihistamines for Systemic Use; Benzhydryl Compounds; Ethylamines; Benzene Derivatives CN(C)CCOC(C1=CC=CC=C1)C1=CC=C(Br)C=C1 Bromodiphenhydramine H1-Antihistamine Action drug_action 46506082 PA164760854 DAP001072 Bromodiphenhydramine CHEMBL1201245 19759 DB01238 Aripiprazole BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 17848919; 26346901 "Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents" ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl 20435 46505745 D01164 PA10026 DAP000076 Aripiprazole CHEMBL1112 89013 DB01238 Aripiprazole BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 17848919; 26346901 "Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents" ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl 20435 46505745 D01164 PA10026 DAP000076 Aripiprazole CHEMBL1112 89013 DB01238 Aripiprazole BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 17848919; 26346901 "Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents" ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl 20435 46505745 D01164 PA10026 DAP000076 Aripiprazole CHEMBL1112 89013 DB01238 Aripiprazole BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 17848919; 26346901 "Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents" ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl 20435 46505745 D01164 PA10026 DAP000076 Aripiprazole CHEMBL1112 89013 DB01238 Aripiprazole BE0000476 HTR1E P28566 5HT1E_HUMAN antagonist 17848919; 26346901 "Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents" ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl 20435 46505745 D01164 PA10026 DAP000076 Aripiprazole CHEMBL1112 89013 DB01238 Aripiprazole BE0000393 HTR2B P41595 5HT2B_HUMAN inverse agonist 26346901 "de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents" ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl 20435 46505745 D01164 PA10026 DAP000076 Aripiprazole CHEMBL1112 89013 DB01238 Aripiprazole BE0000112 HRH2 P25021 HRH2_HUMAN ligand 26346901 "de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents" ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl 20435 46505745 D01164 PA10026 DAP000076 Aripiprazole CHEMBL1112 89013 DB01238 Aripiprazole BE0000560 CHRM2 P08172 ACM2_HUMAN ligand 26346901 "de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents" ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl 20435 46505745 D01164 PA10026 DAP000076 Aripiprazole CHEMBL1112 89013 DB01238 Aripiprazole BE0000045 CHRM3 P20309 ACM3_HUMAN ligand 26346901 "de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents" ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl 20435 46505745 D01164 PA10026 DAP000076 Aripiprazole CHEMBL1112 89013 DB01238 Aripiprazole BE0000247 CHRM5 P08912 ACM5_HUMAN ligand 26346901 "de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents" ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl 20435 46505745 D01164 PA10026 DAP000076 Aripiprazole CHEMBL1112 89013 DB01238 Aripiprazole BE0000770 OPRM1 P35372 OPRM_HUMAN ligand 26346901 "de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents" ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl 20435 46505745 D01164 PA10026 DAP000076 Aripiprazole CHEMBL1112 89013 DB01238 Aripiprazole BE0000420 OPRD1 P41143 OPRD_HUMAN ligand 26346901 "de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents" ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl 20435 46505745 D01164 PA10026 DAP000076 Aripiprazole CHEMBL1112 89013 DB01239 Chlorprothixene BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 17139284; 17016423; 1830565 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Fux M, Belmaker RH: A controlled comparative study of chlorprothixene vs. haloperidol in chronic schizophrenia. Isr J Psychiatry Relat Sci. 1991;28(1):37-40." Approved; Experimental; Investigational; Withdrawn "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Agents producing tachycardia; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents" CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12 46508957 D00790 PA164781400 DAP000833 Chlorprothixene CHEMBL908 2406 DB01239 Chlorprothixene BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 22793499; 31725865 "Vasudevan SR, Moore JB, Schymura Y, Churchill GC: Shape-based reprofiling of FDA-approved drugs for the H(1) histamine receptor. J Med Chem. 2012 Aug 23;55(16):7054-60. doi: 10.1021/jm300671m. Epub 2012 Aug 6.@@Ding P, Yan X, Liu Z, Du J, Du Y, Lu Y, Wu D, Xu Y, Zhou H, Gu Q, Xu J: PTS: a pharmaceutical target seeker. Database (Oxford). 2017 Jan 1;2017. pii: 4781737. doi: 10.1093/database/bax095." Approved; Experimental; Investigational; Withdrawn "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Agents producing tachycardia; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents" CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12 46508957 D00790 PA164781400 DAP000833 Chlorprothixene CHEMBL908 2406 DB01239 Chlorprothixene BE0004862 HTR1A P34969 5HT7R_HUMAN inhibitor 954816 "Drummond AH, Whigham KA, Prentice CR: Effects of chlorprothixene isomers on platelet 5-hydroxytryptamine receptors: evidence for different 5-hydroxytryptamine conformations at uptake and stimulatory sites. Eur J Pharmacol. 1976 Jun;37(2):385-8. doi: 10.1016/0014-2999(76)90047-9." Approved; Experimental; Investigational; Withdrawn "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Agents producing tachycardia; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents" CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12 46508957 D00790 PA164781400 DAP000833 Chlorprothixene CHEMBL908 2406 DB01239 Chlorprothixene BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 7855217 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65." Approved; Experimental; Investigational; Withdrawn "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Agents producing tachycardia; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents" CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12 46508957 D00790 PA164781400 DAP000833 Chlorprothixene CHEMBL908 2406 DB01239 Chlorprothixene BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 7855217 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65." Approved; Experimental; Investigational; Withdrawn "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Agents producing tachycardia; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents" CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12 46508957 D00790 PA164781400 DAP000833 Chlorprothixene CHEMBL908 2406 DB01239 Chlorprothixene BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 7855217 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65." Approved; Experimental; Investigational; Withdrawn "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Agents producing tachycardia; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents" CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12 46508957 D00790 PA164781400 DAP000833 Chlorprothixene CHEMBL908 2406 DB01240 Epoprostenol BE0000117 PTGIS Q16647 PTGIS_HUMAN inducer 20357747; 18081314 "Nakayama T: Genetic polymorphisms of prostacyclin synthase gene and cardiovascular disease. Int Angiol. 2010 Apr;29(2 Suppl):33-42.@@Ruan KH, Wu J, Cervantes V: Characterization of the substrate mimic bound to engineered prostacyclin synthase in solution using high-resolution NMR spectroscopy and mutagenesis: implication of the molecular mechanism in biosynthesis of prostacyclin. Biochemistry. 2008 Jan 15;47(2):680-8. Epub 2007 Dec 15." Approved "Inflammation Mediators; Vasodilation; Antihypertensive Agents; Anticoagulants; Eicosanoids; Prostacycline Vasodilator; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; Fatty Acids; Drugs that are Mainly Renally Excreted; Antiplatelet agents; Prostacyclin Analogues; Biological Factors; Blood and Blood Forming Organs; Vasodilating Agents; Lipids; Prostaglandins I; Prostaglandins; Autacoids; Hematologic Agents; Fatty Acids, Unsaturated" [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC(O)=O 11378 46507362 D00106 PA449479 DAP001213 Prostacyclin CHEMBL1139 8814 DB01240 Epoprostenol BE0000110 P2RY12 Q9H244 P2Y12_HUMAN agonist 17155953; 12297509; 20085435 "Cattaneo M, Lecchi A: Inhibition of the platelet P2Y12 receptor for adenosine diphosphate potentiates the antiplatelet effect of prostacyclin. J Thromb Haemost. 2007 Mar;5(3):577-82. Epub 2006 Dec 7.@@Yang J, Wu J, Jiang H, Mortensen R, Austin S, Manning DR, Woulfe D, Brass LF: Signaling through Gi family members in platelets. Redundancy and specificity in the regulation of adenylyl cyclase and other effectors. J Biol Chem. 2002 Nov 29;277(48):46035-42. Epub 2002 Sep 23.@@Kobsar AL, Koessler J, Rajkovic MS, Brunner KP, Steigerwald U, Walter U: Prostacyclin receptor stimulation facilitates detection of human platelet P2Y(12) receptor inhibition by the PFA-100 system. Platelets. 2010;21(2):112-6. doi: 10.3109/09537100903440937." Approved "Inflammation Mediators; Vasodilation; Antihypertensive Agents; Anticoagulants; Eicosanoids; Prostacycline Vasodilator; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; Fatty Acids; Drugs that are Mainly Renally Excreted; Antiplatelet agents; Prostacyclin Analogues; Biological Factors; Blood and Blood Forming Organs; Vasodilating Agents; Lipids; Prostaglandins I; Prostaglandins; Autacoids; Hematologic Agents; Fatty Acids, Unsaturated" [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC(O)=O 11378 46507362 D00106 PA449479 DAP001213 Prostacyclin CHEMBL1139 8814 DB01241 Gemfibrozil BE0000071 PPARA Q07869 PPARA_HUMAN agonist 10494028; 12172398; 12244038; 12834305; 12935323 "Clavey V, Copin C, Mariotte MC, Bauge E, Chinetti G, Fruchart J, Fruchart JC, Dallongeville J, Staels B: Cell culture conditions determine apolipoprotein CIII secretion and regulation by fibrates in human hepatoma HepG2 cells. Cell Physiol Biochem. 1999;9(3):139-49.@@Bosse Y, Pascot A, Dumont M, Brochu M, Prud'homme D, Bergeron J, Despres JP, Vohl MC: Influences of the PPAR alpha-L162V polymorphism on plasma HDL(2)-cholesterol response of abdominally obese men treated with gemfibrozil. Genet Med. 2002 Jul-Aug;4(4):311-5.@@Pahan K, Jana M, Liu X, Taylor BS, Wood C, Fischer SM: Gemfibrozil, a lipid-lowering drug, inhibits the induction of nitric-oxide synthase in human astrocytes. J Biol Chem. 2002 Nov 29;277(48):45984-91. Epub 2002 Sep 18.@@Shoji Y, Sanekata A, Sato M, Imaizumi K: Preparation of antiserum against rat delta6-desaturase and its use to evaluate the desaturase protein levels in rats treated with gemfibrozil, a ligand for peroxisome proliferator-activated receptor alpha. Biosci Biotechnol Biochem. 2003 May;67(5):1177-8.@@Rizvi F, Iftikhar M, George JP: Beneficial effects of fish liver preparations of sea bass (Lates calcarifer) versus gemfibrozil in high fat diet-induced lipid-intolerant rats. J Med Food. 2003 Summer;6(2):123-8." Approved Phenol ethers Organic compounds; Benzenoids; Phenol ethers "OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Benzene Derivatives; Lipid Modifying Agents; Noxae; Peroxisome Proliferator-activated Receptor alpha Agonists; UGT1A1 Inhibitors; Butyrates; UGT2B17 substrates; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Peroxisome Proliferator Receptor alpha Agonist; Phenols; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; Drugs that are Mainly Renally Excreted; Isobutyrates; Cytochrome P-450 CYP2C9 Inhibitors; Lipid Regulating Agents; Pentanoic Acids; Fatty Acids, Volatile; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2C8 Inducers; OATP1B3 inhibitors; Valerates; Lipid Modifying Agents, Plain; UGT1A3 substrates; Lipids; Drugs causing inadvertant photosensitivity; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Cytochrome P-450 CYP2C19 Inhibitors (strong); Hypolipidemic Agents; Phenyl Ethers; Cytochrome P-450 CYP2C8 Inducers (strength unknown); UGT1A3 Inhibitors; OAT3/SLC22A8 Inhibitors; UGT1A9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Toxic Actions; Chemically-Induced Disorders; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors (strong)" CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1 1904 46508264 D00334 PA449750 DAP000210 Gemfibrozil CHEMBL457 4719 DB01242 Clomipramine BE0000393 HTR2B P41595 5HT2B_HUMAN antagonist 9862411; 14501155; 1296670 "Sargent PA, Quested DJ, Cowen PJ: Clomipramine enhances the cortisol response to 5-HTP: implications for the therapeutic role of 5-HT2 receptors. Psychopharmacology (Berl). 1998 Nov;140(1):120-2.@@Sugimoto Y, Inoue K, Yamada J: The tricyclic antidepressant clomipramine increases plasma glucose levels of mice. J Pharmacol Sci. 2003 Sep;93(1):74-9.@@Contreras CM, Marvan ML, Munoz-Mendez A, Ramirez-Morales A: Cortical and septal responses to dorsal raphe nucleus stimulation in the rat: long-term clomipramine actions. Bol Estud Med Biol. 1992 Jan-Dec;40(1-4):3-7." Approved; Investigational; Vet_approved Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2 Clomipramine Metabolism Pathway drug_metabolism 2442 46505157 D00811 PA449048 DAP000742 Clomipramine CHEMBL415 2597 DB01242 Clomipramine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 9862411; 14501155; 1296670 "Sargent PA, Quested DJ, Cowen PJ: Clomipramine enhances the cortisol response to 5-HTP: implications for the therapeutic role of 5-HT2 receptors. Psychopharmacology (Berl). 1998 Nov;140(1):120-2.@@Sugimoto Y, Inoue K, Yamada J: The tricyclic antidepressant clomipramine increases plasma glucose levels of mice. J Pharmacol Sci. 2003 Sep;93(1):74-9.@@Contreras CM, Marvan ML, Munoz-Mendez A, Ramirez-Morales A: Cortical and septal responses to dorsal raphe nucleus stimulation in the rat: long-term clomipramine actions. Bol Estud Med Biol. 1992 Jan-Dec;40(1-4):3-7." Approved; Investigational; Vet_approved Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2 Clomipramine Metabolism Pathway drug_metabolism 2442 46505157 D00811 PA449048 DAP000742 Clomipramine CHEMBL415 2597 DB01244 Bepridil BE0000356 CACNA1A O00555 CAC1A_HUMAN inhibitor 17139284; 17016423; 7565636 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Bezprozvanny I, Tsien RW: Voltage-dependent blockade of diverse types of voltage-gated Ca2+ channels expressed in Xenopus oocytes by the Ca2+ channel antagonist mibefradil (Ro 40-5967). Mol Pharmacol. 1995 Sep;48(3):540-9." Approved; Withdrawn Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Pyrrolidines; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Highest Risk QTc-Prolonging Agents; Bradycardia-Causing Agents CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1 46506353 D07520 PA164754755 DAP000525 Bepridil CHEMBL1008 1436 DB01244 Bepridil BE0000864 CACNA1H O95180 CAC1H_HUMAN inhibitor 1281221; 7565636 "Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28.@@Bezprozvanny I, Tsien RW: Voltage-dependent blockade of diverse types of voltage-gated Ca2+ channels expressed in Xenopus oocytes by the Ca2+ channel antagonist mibefradil (Ro 40-5967). Mol Pharmacol. 1995 Sep;48(3):540-9." Approved; Withdrawn Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Pyrrolidines; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Highest Risk QTc-Prolonging Agents; Bradycardia-Causing Agents CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1 46506353 D07520 PA164754755 DAP000525 Bepridil CHEMBL1008 1436 DB01244 Bepridil BE0000732 ATP1A1 P05023 AT1A1_HUMAN inhibitor 1329768; 2148481; 2207500; 2933041; 2938592 "Kovacic H, Gallice P, Crevat A: Inhibition of sodium pump by bepridil. An in vitro and microcalorimetric study. Biochem Pharmacol. 1992 Oct 20;44(8):1529-34.@@Raess BU, Record DM: Inhibition of erythrocyte Ca2(+)-pump by Ca2+ antagonists. Biochem Pharmacol. 1990 Dec 1;40(11):2549-55.@@Smith SJ, England PJ: The effects of reported Ca2+ sensitisers on the rates of Ca2+ release from cardiac troponin C and the troponin-tropomyosin complex. Br J Pharmacol. 1990 Aug;100(4):779-85.@@Lamers JM, Cysouw KJ, Verdouw PD: Slow calcium channel blockers and calmodulin. Effect of felodipine, nifedipine, prenylamine and bepridil on cardiac sarcolemmal calcium pumping ATPase. Biochem Pharmacol. 1985 Nov 1;34(21):3837-43.@@Fuchs J, Mainka L, Reifart N, Zimmer G: Effects of bepridil on heart mitochondrial membrane and the isolated rat heart preparation. Arzneimittelforschung. 1986 Feb;36(2):209-12." Approved; Withdrawn Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Pyrrolidines; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Highest Risk QTc-Prolonging Agents; Bradycardia-Causing Agents CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1 46506353 D07520 PA164754755 DAP000525 Bepridil CHEMBL1008 1436 DB01244 Bepridil BE0000672 KCNQ1 P51787 KCNQ1_HUMAN inhibitor 10860024; 14716203; 9765513 "Chouabe C, Drici MD, Romey G, Barhanin J: Effects of calcium channel blockers on cloned cardiac K+ channels IKr and IKs. Therapie. 2000 Jan-Feb;55(1):195-202.@@Yumoto Y, Horie M, Kubota T, Ninomiya T, Kobori A, Takenaka K, Takano M, Niwano S, Izumi T: Bepridil block of recombinant human cardiac IKs current shows a time-dependent unblock. J Cardiovasc Pharmacol. 2004 Feb;43(2):178-82.@@Chouabe C, Drici MD, Romey G, Barhanin J, Lazdunski M: HERG and KvLQT1/IsK, the cardiac K+ channels involved in long QT syndromes, are targets for calcium channel blockers. Mol Pharmacol. 1998 Oct;54(4):695-703." Approved; Withdrawn Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Pyrrolidines; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Highest Risk QTc-Prolonging Agents; Bradycardia-Causing Agents CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1 46506353 D07520 PA164754755 DAP000525 Bepridil CHEMBL1008 1436 DB01244 Bepridil BE0003565 PDE1A P54750 PDE1A_HUMAN inhibitor 2933041 "Lamers JM, Cysouw KJ, Verdouw PD: Slow calcium channel blockers and calmodulin. Effect of felodipine, nifedipine, prenylamine and bepridil on cardiac sarcolemmal calcium pumping ATPase. Biochem Pharmacol. 1985 Nov 1;34(21):3837-43." Approved; Withdrawn Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Pyrrolidines; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Highest Risk QTc-Prolonging Agents; Bradycardia-Causing Agents CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1 46506353 D07520 PA164754755 DAP000525 Bepridil CHEMBL1008 1436 DB01245 Decamethonium BE0000849 CHRNA4 P43681 ACHA4_HUMAN 14645658 "Eaton JB, Peng JH, Schroeder KM, George AA, Fryer JD, Krishnan C, Buhlman L, Kuo YP, Steinlein O, Lukas RJ: Characterization of human alpha 4 beta 2-nicotinic acetylcholine receptors stably and heterologously expressed in native nicotinic receptor-null SH-EP1 human epithelial cells. Mol Pharmacol. 2003 Dec;64(6):1283-94." Approved Decamethonium compounds Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts Quaternary Ammonium Compounds; Neuromuscular Agents; Onium Compounds; Amines; Central Nervous System Depressants; Cholinesterase Inhibitors; Bis-Trimethylammonium Compounds; Neuromuscular Depolarizing Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents; Neurotoxic agents C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C 46507737 PA164747980 DAP000378 Decamethonium CHEMBL1190 DB01246 Alimemazine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 7713167; 11752352 "Santos DE, Liu GJ, Takeuchi H: Blockers for excitatory effects of achatin-I, a tetrapeptide having a D-phenylalanine residue, on a snail neurone. Eur J Pharmacol. 1995 Jan 16;272(2-3):231-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Vet_approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Potential QTc-Prolonging Agents; Antipsychotic Agents; Phenothiazines; Phenothiazine Derivatives; Heterocyclic Compounds, Fused-Ring; QTc Prolonging Agents; Central Nervous System Depressants; Histamine Antagonists; Antipruritics; Neurotransmitter Agents; Histamine H1 Antagonists; Sulfur Compounds; Antihistamines for Systemic Use; Dermatologicals; Histamine Agents; Neurotoxic agents" CC(CN(C)C)CN1C2=CC=CC=C2SC2=CC=CC=C12 Alimemazine H1-Antihistamine Action drug_action 7960 46508449 D07125 PA164744009 DAP001077 Alimemazine CHEMBL829 10825 DB01248 Docetaxel BE0000026 TUBB1 Q9H4B7 TBB1_HUMAN 15161985; 18559268; 11309480; 15698529 "Gligorov J, Lotz JP: Preclinical pharmacology of the taxanes: implications of the differences. Oncologist. 2004;9 Suppl 2:3-8.@@Matesanz R, Barasoain I, Yang CG, Wang L, Li X, de Ines C, Coderch C, Gago F, Barbero JJ, Andreu JM, Fang WS, Diaz JF: Optimization of taxane binding to microtubules: binding affinity dissection and incremental construction of a high-affinity analog of paclitaxel. Chem Biol. 2008 Jun;15(6):573-85. doi: 10.1016/j.chembiol.2008.05.008.@@Snyder JP, Nettles JH, Cornett B, Downing KH, Nogales E: The binding conformation of Taxol in beta-tubulin: a model based on electron crystallographic density. Proc Natl Acad Sci U S A. 2001 Apr 24;98(9):5312-6. Epub 2001 Apr 17.@@Belani CP, Eckardt J: Development of docetaxel in advanced non-small-cell lung cancer. Lung Cancer. 2004 Dec;46 Suppl 2:S3-11." Approved; Investigational Taxanes and derivatives Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids Tubulin Modulators; Myelosuppressive Agents; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Terpenes; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors [H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1 Docetaxel Action Pathway drug_action 157 46506766 D02165 PA449383 DAP000590 Docetaxel CHEMBL92 1299922 DB01248 Docetaxel BE0001100 MAP2 P11137 MTAP2_HUMAN 18068131 "McGrogan BT, Gilmartin B, Carney DN, McCann A: Taxanes, microtubules and chemoresistant breast cancer. Biochim Biophys Acta. 2008 Apr;1785(2):96-132. Epub 2007 Nov 12." Approved; Investigational Taxanes and derivatives Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids Tubulin Modulators; Myelosuppressive Agents; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Terpenes; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors [H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1 Docetaxel Action Pathway drug_action 157 46506766 D02165 PA449383 DAP000590 Docetaxel CHEMBL92 1299922 DB01248 Docetaxel BE0003475 MAP4 P27816 MAP4_HUMAN 18068131 "McGrogan BT, Gilmartin B, Carney DN, McCann A: Taxanes, microtubules and chemoresistant breast cancer. Biochim Biophys Acta. 2008 Apr;1785(2):96-132. Epub 2007 Nov 12." Approved; Investigational Taxanes and derivatives Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids Tubulin Modulators; Myelosuppressive Agents; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Terpenes; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors [H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1 Docetaxel Action Pathway drug_action 157 46506766 D02165 PA449383 DAP000590 Docetaxel CHEMBL92 1299922 DB01248 Docetaxel BE0000246 BCL2 P10415 BCL2_HUMAN 15161985; 15277270; 15643508; 15685445; 15714982; 17674353 "Gligorov J, Lotz JP: Preclinical pharmacology of the taxanes: implications of the differences. Oncologist. 2004;9 Suppl 2:3-8.@@Marshall J, Chen H, Yang D, Figueira M, Bouker KB, Ling Y, Lippman M, Frankel SR, Hayes DF: A phase I trial of a Bcl-2 antisense (G3139) and weekly docetaxel in patients with advanced breast cancer and other solid tumors. Ann Oncol. 2004 Aug;15(8):1274-83.@@Inoue Y, Gika M, Abiko T, Oyama T, Saitoh Y, Yamazaki H, Nakamura M, Abe Y, Kawamura M, Kobayashi K: Bcl-2 overexpression enhances in vitro sensitivity against docetaxel in non-small cell lung cancer. Oncol Rep. 2005 Feb;13(2):259-64.@@Petrylak DP: Chemotherapy for androgen-independent prostate cancer. World J Urol. 2005 Feb;23(1):10-3. Epub 2005 Feb 1.@@Miyoshi Y, Uemura H, Kubota Y: [Treatment of androgen-independent hormone refractory prostate cancer using docetaxel]. Nihon Rinsho. 2005 Feb;63(2):298-302.@@Magi-Galluzzi C, Zhou M, Reuther AM, Dreicer R, Klein EA: Neoadjuvant docetaxel treatment for locally advanced prostate cancer: a clinicopathologic study. Cancer. 2007 Sep 15;110(6):1248-54." Approved; Investigational Taxanes and derivatives Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids Tubulin Modulators; Myelosuppressive Agents; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Terpenes; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors [H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1 Docetaxel Action Pathway drug_action 157 46506766 D02165 PA449383 DAP000590 Docetaxel CHEMBL92 1299922 DB01250 Olsalazine BE0002204 XDH P47989 XDH_HUMAN inhibitor 3067340 "Campbell DE, Berglindh T: Pharmacology of olsalazine. Scand J Gastroenterol Suppl. 1988;148:7-12. doi: 10.3109/00365528809101539." Approved Azobenzenes Organic compounds; Organoheterocyclic compounds; Azobenzenes "Non COX-2 selective NSAIDS; Sensory System Agents; Anti-Inflammatory Agents; Nephrotoxic agents; Hydroxybenzoates; Benzene Derivatives; Gastrointestinal Agents; Agents causing hyperkalemia; Benzoates; Hydroxy Acids; Phenols; Salicylates; Alimentary Tract and Metabolism; Aminosalicylate; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Acids, Carbocyclic; Analgesics, Non-Narcotic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Intestinal Antiinflammatory Agents" OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(O)C(=C1)C(O)=O 1226 46506356 D00727 PA450700 Olsalazine CHEMBL425 32385 DB01252 Mitiglinide BE0000215 PPARG P37231 PPARG_HUMAN agonist 17082235 "Scarsi M, Podvinec M, Roth A, Hug H, Kersten S, Albrecht H, Schwede T, Meyer UA, Rucker C: Sulfonylureas and glinides exhibit peroxisome proliferator-activated receptor gamma activity: a combined virtual screening and biological assay approach. Mol Pharmacol. 2007 Feb;71(2):398-406. Epub 2006 Nov 2." Investigational Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids "Drugs Used in Diabetes; Heterocyclic Compounds, Fused-Ring; Oral Hypoglycemics; UGT2B7 substrates; UGT1A3 substrates; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism" [H][C@@](CC(=O)N1C[C@@]2([H])CCCC[C@@]2([H])C1)(CC1=CC=CC=C1)C(O)=O 46506527 D01854 PA164748124 DAP000917 Mitiglinide CHEMBL471498 DB01254 Dasatinib BE0000014 ABL1 P00519 ABL1_HUMAN inhibitor 17701954; 17154512; 16775234 "Piccaluga PP, Paolini S, Martinelli G: Tyrosine kinase inhibitors for the treatment of Philadelphia chromosome-positive adult acute lymphoblastic leukemia. Cancer. 2007 Sep 15;110(6):1178-86.@@Das J, Chen P, Norris D, Padmanabha R, Lin J, Moquin RV, Shen Z, Cook LS, Doweyko AM, Pitt S, Pang S, Shen DR, Fang Q, de Fex HF, McIntyre KW, Shuster DJ, Gillooly KM, Behnia K, Schieven GL, Wityak J, Barrish JC: 2-aminothiazole as a novel kinase inhibitor template. Structure-activity relationship studies toward the discovery of N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1- piperazinyl)]-2-methyl-4-pyrimidinyl]amino)]-1,3-thiazole-5-carboxamide (dasatinib, BMS-354825) as a potent pan-Src kinase inhibitor. J Med Chem. 2006 Nov 16;49(23):6819-32.@@Talpaz M, Shah NP, Kantarjian H, Donato N, Nicoll J, Paquette R, Cortes J, O'Brien S, Nicaise C, Bleickardt E, Blackwood-Chirchir MA, Iyer V, Chen TT, Huang F, Decillis AP, Sawyers CL: Dasatinib in imatinib-resistant Philadelphia chromosome-positive leukemias. N Engl J Med. 2006 Jun 15;354(24):2531-41." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01254 Dasatinib BE0000838 SRC P12931 SRC_HUMAN inhibitor 17429625; 17148760; 17155893; 16397263; 16230377 "Kamath AV, Wang J, Lee FY, Marathe PH: Preclinical pharmacokinetics and in vitro metabolism of dasatinib (BMS-354825): a potent oral multi-targeted kinase inhibitor against SRC and BCR-ABL. Cancer Chemother Pharmacol. 2008 Mar;61(3):365-76. Epub 2007 Apr 11.@@Serrels A, Macpherson IR, Evans TR, Lee FY, Clark EA, Sansom OJ, Ashton GH, Frame MC, Brunton VG: Identification of potential biomarkers for measuring inhibition of Src kinase activity in colon cancer cells following treatment with dasatinib. Mol Cancer Ther. 2006 Dec;5(12):3014-22. Epub 2006 Dec 5.@@Quintas-Cardama A, Kantarjian H, Cortes J: Targeting ABL and SRC kinases in chronic myeloid leukemia: experience with dasatinib. Future Oncol. 2006 Dec;2(6):655-65.@@Schittenhelm MM, Shiraga S, Schroeder A, Corbin AS, Griffith D, Lee FY, Bokemeyer C, Deininger MW, Druker BJ, Heinrich MC: Dasatinib (BMS-354825), a dual SRC/ABL kinase inhibitor, inhibits the kinase activity of wild-type, juxtamembrane, and activation loop mutant KIT isoforms associated with human malignancies. Cancer Res. 2006 Jan 1;66(1):473-81.@@Nam S, Kim D, Cheng JQ, Zhang S, Lee JH, Buettner R, Mirosevich J, Lee FY, Jove R: Action of the Src family kinase inhibitor, dasatinib (BMS-354825), on human prostate cancer cells. Cancer Res. 2005 Oct 15;65(20):9185-9." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01254 Dasatinib BE0000842 LCK P06239 LCK_HUMAN inhibitor 17154512; 20072833 "Das J, Chen P, Norris D, Padmanabha R, Lin J, Moquin RV, Shen Z, Cook LS, Doweyko AM, Pitt S, Pang S, Shen DR, Fang Q, de Fex HF, McIntyre KW, Shuster DJ, Gillooly KM, Behnia K, Schieven GL, Wityak J, Barrish JC: 2-aminothiazole as a novel kinase inhibitor template. Structure-activity relationship studies toward the discovery of N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1- piperazinyl)]-2-methyl-4-pyrimidinyl]amino)]-1,3-thiazole-5-carboxamide (dasatinib, BMS-354825) as a potent pan-Src kinase inhibitor. J Med Chem. 2006 Nov 16;49(23):6819-32.@@Lindauer M, Hochhaus A: Dasatinib. Recent Results Cancer Res. 2010;184:83-102. doi: 10.1007/978-3-642-01222-8_7." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01254 Dasatinib BE0000840 YES1 P07947 YES_HUMAN inhibitor 16507911; 17541990; 20072833 "Trevino JG, Summy JM, Lesslie DP, Parikh NU, Hong DS, Lee FY, Donato NJ, Abbruzzese JL, Baker CH, Gallick GE: Inhibition of SRC expression and activity inhibits tumor progression and metastasis of human pancreatic adenocarcinoma cells in an orthotopic nude mouse model. Am J Pathol. 2006 Mar;168(3):962-72.@@Margutti S, Laufer SA: Are MAP kinases drug targets? Yes, but difficult ones. ChemMedChem. 2007 Aug;2(8):1116-40.@@Lindauer M, Hochhaus A: Dasatinib. Recent Results Cancer Res. 2010;184:83-102. doi: 10.1007/978-3-642-01222-8_7." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01254 Dasatinib BE0000453 KIT P10721 KIT_HUMAN antagonist 16397263; 16434489; 17351742 "Schittenhelm MM, Shiraga S, Schroeder A, Corbin AS, Griffith D, Lee FY, Bokemeyer C, Deininger MW, Druker BJ, Heinrich MC: Dasatinib (BMS-354825), a dual SRC/ABL kinase inhibitor, inhibits the kinase activity of wild-type, juxtamembrane, and activation loop mutant KIT isoforms associated with human malignancies. Cancer Res. 2006 Jan 1;66(1):473-81.@@Shah NP, Lee FY, Luo R, Jiang Y, Donker M, Akin C: Dasatinib (BMS-354825) inhibits KITD816V, an imatinib-resistant activating mutation that triggers neoplastic growth in most patients with systemic mastocytosis. Blood. 2006 Jul 1;108(1):286-91. Epub 2006 Jan 24.@@Dizdar O, Dede DS, Bulut N, Altundag K: Dasatinib may also inhibit c-Kit in triple negative breast cancer cell lines. Breast Cancer Res Treat. 2008 Jan;107(2):303. Epub 2007 Mar 10." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01254 Dasatinib BE0000891 STAT5B P51692 STA5B_HUMAN inhibitor 17020995; 17431118 "Fiskus W, Pranpat M, Balasis M, Bali P, Estrella V, Kumaraswamy S, Rao R, Rocha K, Herger B, Lee F, Richon V, Bhalla K: Cotreatment with vorinostat (suberoylanilide hydroxamic acid) enhances activity of dasatinib (BMS-354825) against imatinib mesylate-sensitive or imatinib mesylate-resistant chronic myelogenous leukemia cells. Clin Cancer Res. 2006 Oct 1;12(19):5869-78.@@Nam S, Williams A, Vultur A, List A, Bhalla K, Smith D, Lee FY, Jove R: Dasatinib (BMS-354825) inhibits Stat5 signaling associated with apoptosis in chronic myelogenous leukemia cells. Mol Cancer Ther. 2007 Apr;6(4):1400-5." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01254 Dasatinib BE0000435 ABL2 P42684 ABL2_HUMAN multitarget 20072833; 17684099 "Lindauer M, Hochhaus A: Dasatinib. Recent Results Cancer Res. 2010;184:83-102. doi: 10.1007/978-3-642-01222-8_7.@@Hantschel O, Rix U, Schmidt U, Burckstummer T, Kneidinger M, Schutze G, Colinge J, Bennett KL, Ellmeier W, Valent P, Superti-Furga G: The Btk tyrosine kinase is a major target of the Bcr-Abl inhibitor dasatinib. Proc Natl Acad Sci U S A. 2007 Aug 14;104(33):13283-8. Epub 2007 Aug 7." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01254 Dasatinib BE0000839 FYN P06241 FYN_HUMAN inhibitor 20072833; 32268657 "Lindauer M, Hochhaus A: Dasatinib. Recent Results Cancer Res. 2010;184:83-102. doi: 10.1007/978-3-642-01222-8_7.@@Lee D, Park YH, Lee JE, Kim HS, Min KY, Jo MG, Kim HS, Choi WS, Kim YM: Dasatinib Inhibits Lyn and Fyn Src-Family Kinases in Mast Cells to Suppress Type I Hypersensitivity in Mice. Biomol Ther (Seoul). 2020 Sep 1;28(5):456-464. doi: 10.4062/biomolther.2020.013." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01254 Dasatinib BE0001284 BTK Q06187 BTK_HUMAN inhibitor 17684099; 34209188 "Hantschel O, Rix U, Schmidt U, Burckstummer T, Kneidinger M, Schutze G, Colinge J, Bennett KL, Ellmeier W, Valent P, Superti-Furga G: The Btk tyrosine kinase is a major target of the Bcr-Abl inhibitor dasatinib. Proc Natl Acad Sci U S A. 2007 Aug 14;104(33):13283-8. Epub 2007 Aug 7.@@Kaliamurthi S, Selvaraj G, Selvaraj C, Singh SK, Wei DQ, Peslherbe GH: Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19. Int J Mol Sci. 2021 Jun 30;22(13). pii: ijms22137071. doi: 10.3390/ijms22137071." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01254 Dasatinib BE0004743 BCR P11274 BCR_HUMAN inhibitor 15256671; 23226582; 18180381 "Shah NP, Tran C, Lee FY, Chen P, Norris D, Sawyers CL: Overriding imatinib resistance with a novel ABL kinase inhibitor. Science. 2004 Jul 16;305(5682):399-401.@@Reddy EP, Aggarwal AK: The ins and outs of bcr-abl inhibition. Genes Cancer. 2012 May;3(5-6):447-54. doi: 10.1177/1947601912462126.@@Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008 Jan 7." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01254 Dasatinib BE0001356 CSK P41240 CSK_HUMAN inhibitor 18180381; 22928736 "Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008 Jan 7.@@Kwarcinski FE, Fox CC, Steffey ME, Soellner MB: Irreversible inhibitors of c-Src kinase that target a nonconserved cysteine. ACS Chem Biol. 2012 Nov 16;7(11):1910-7. doi: 10.1021/cb300337u. Epub 2012 Sep 5." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01254 Dasatinib BE0005587 EPHA5 P54756 EPHA5_HUMAN inhibitor 18180381; 29356025 "Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008 Jan 7.@@Wang X, Zhang M, Ping F, Liu H, Sun J, Wang Y, Shen A, Ding J, Geng M: Identification and Therapeutic Intervention of Coactivated Anaplastic Lymphoma Kinase, Fibroblast Growth Factor Receptor 2, and Ephrin Type-A Receptor 5 Kinases in Hepatocellular Carcinoma. Hepatology. 2019 Feb;69(2):573-586. doi: 10.1002/hep.29792. Epub 2018 Mar 24." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01254 Dasatinib BE0002453 EPHB4 P54760 EPHB4_HUMAN inhibitor 18180381; 24733895 "Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008 Jan 7.@@Aslam MI, Abraham J, Mansoor A, Druker BJ, Tyner JW, Keller C: PDGFRbeta reverses EphB4 signaling in alveolar rhabdomyosarcoma. Proc Natl Acad Sci U S A. 2014 Apr 29;111(17):6383-8. doi: 10.1073/pnas.1403608111. Epub 2014 Apr 14." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01254 Dasatinib BE0005539 FGR P09769 FGR_HUMAN inhibitor 18180381; 17154512 "Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008 Jan 7.@@Das J, Chen P, Norris D, Padmanabha R, Lin J, Moquin RV, Shen Z, Cook LS, Doweyko AM, Pitt S, Pang S, Shen DR, Fang Q, de Fex HF, McIntyre KW, Shuster DJ, Gillooly KM, Behnia K, Schieven GL, Wityak J, Barrish JC: 2-aminothiazole as a novel kinase inhibitor template. Structure-activity relationship studies toward the discovery of N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1- piperazinyl)]-2-methyl-4-pyrimidinyl]amino)]-1,3-thiazole-5-carboxamide (dasatinib, BMS-354825) as a potent pan-Src kinase inhibitor. J Med Chem. 2006 Nov 16;49(23):6819-32." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01254 Dasatinib BE0004315 LYN P07948 LYN_HUMAN inhibitor 18180381; 32268657 "Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008 Jan 7.@@Lee D, Park YH, Lee JE, Kim HS, Min KY, Jo MG, Kim HS, Choi WS, Kim YM: Dasatinib Inhibits Lyn and Fyn Src-Family Kinases in Mast Cells to Suppress Type I Hypersensitivity in Mice. Biomol Ther (Seoul). 2020 Sep 1;28(5):456-464. doi: 10.4062/biomolther.2020.013." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01254 Dasatinib BE0005595 ZAK Q9NYL2 MLTK_HUMAN binder 18180381 "Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008 Jan 7." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01254 Dasatinib BE0001019 MAPK14 Q16539 MK14_HUMAN binder 18180381 "Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008 Jan 7." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01254 Dasatinib BE0000374 PPAT Q06203 PUR1_HUMAN binder 18180381 "Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008 Jan 7." Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Dasatinib Inhibition of BCR-ABL drug_action 20122 46505143 D03658 PA162372878 DAP000004 Dasatinib CHEMBL1421 1546019 DB01257 Eculizumab BE0000855 C5 P01031 CO5_HUMAN antibody 17139284; 17016423; 19399743; 20011245; 18784156; 17989688; 20378572; 16990386; 17702897; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Singer AL, Locke JE, Stewart ZA, Lonze BE, Hamilton JP, Scudiere JR, Anders RA, Rother RP, Brodsky RA, Cameron AM: Successful liver transplantation for Budd-Chiari syndrome in a patient with paroxysmal nocturnal hemoglobinuria treated with the anti-complement antibody eculizumab. Liver Transpl. 2009 May;15(5):540-3. doi: 10.1002/lt.21714.@@Kelly R, Richards S, Hillmen P, Hill A: The pathophysiology of paroxysmal nocturnal hemoglobinuria and treatment with eculizumab. Ther Clin Risk Manag. 2009;5:911-21. Epub .@@Dmytrijuk A, Robie-Suh K, Cohen MH, Rieves D, Weiss K, Pazdur R: FDA report: eculizumab (Soliris) for the treatment of patients with paroxysmal nocturnal hemoglobinuria. Oncologist. 2008 Sep;13(9):993-1000. doi: 10.1634/theoncologist.2008-0086. Epub 2008 Sep 10.@@Rother RP, Rollins SA, Mojcik CF, Brodsky RA, Bell L: Discovery and development of the complement inhibitor eculizumab for the treatment of paroxysmal nocturnal hemoglobinuria. Nat Biotechnol. 2007 Nov;25(11):1256-64.@@Luzzatto L, Risitano AM, Notaro R: Paroxysmal nocturnal hemoglobinuria and eculizumab. Haematologica. 2010 Apr;95(4):523-6. doi: 10.3324/haematol.2009.017848.@@Hillmen P, Young NS, Schubert J, Brodsky RA, Socie G, Muus P, Roth A, Szer J, Elebute MO, Nakamura R, Browne P, Risitano AM, Hill A, Schrezenmeier H, Fu CL, Maciejewski J, Rollins SA, Mojcik CF, Rother RP, Luzzatto L: The complement inhibitor eculizumab in paroxysmal nocturnal hemoglobinuria. N Engl J Med. 2006 Sep 21;355(12):1233-43.@@Hillmen P, Muus P, Duhrsen U, Risitano AM, Schubert J, Luzzatto L, Schrezenmeier H, Szer J, Brodsky RA, Hill A, Socie G, Bessler M, Rollins SA, Bell L, Rother RP, Young NS: Effect of the complement inhibitor eculizumab on thromboembolism in patients with paroxysmal nocturnal hemoglobinuria. Blood. 2007 Dec 1;110(12):4123-8. Epub 2007 Aug 16.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Immunotherapy; Serum Globulins; Immunologic Factors; Immunoproteins; Selective Immunosuppressants; Antibodies, Monoclonal, Humanized; Complement Inactivating Agents; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 20432 46505429 PA164776637 DAP000967 Eculizumab CHEMBL1201828 591781 DB01259 Lapatinib BE0000767 EGFR P00533 EGFR_HUMAN antagonist 12214266; 14633707; 14737100; 14751502; 14967461; 15163842; 15374980; 20658522; 16894399; 20110044; 18803986; 11752352 "Xia W, Mullin RJ, Keith BR, Liu LH, Ma H, Rusnak DW, Owens G, Alligood KJ, Spector NL: Anti-tumor activity of GW572016: a dual tyrosine kinase inhibitor blocks EGF activation of EGFR/erbB2 and downstream Erk1/2 and AKT pathways. Oncogene. 2002 Sep 12;21(41):6255-63.@@Grana TM, Sartor CI, Cox AD: Epidermal growth factor receptor autocrine signaling in RIE-1 cells transformed by the Ras oncogene enhances radiation resistance. Cancer Res. 2003 Nov 15;63(22):7807-14.@@Xia W, Liu LH, Ho P, Spector NL: Truncated ErbB2 receptor (p95ErbB2) is regulated by heregulin through heterodimer formation with ErbB3 yet remains sensitive to the dual EGFR/ErbB2 kinase inhibitor GW572016. Oncogene. 2004 Jan 22;23(3):646-53.@@Zhou H, Kim YS, Peletier A, McCall W, Earp HS, Sartor CI: Effects of the EGFR/HER2 kinase inhibitor GW572016 on EGFR- and HER2-overexpressing breast cancer cell line proliferation, radiosensitization, and resistance. Int J Radiat Oncol Biol Phys. 2004 Feb 1;58(2):344-52.@@Langer CJ: Emerging role of epidermal growth factor receptor inhibition in therapy for advanced malignancy: focus on NSCLC. Int J Radiat Oncol Biol Phys. 2004 Mar 1;58(3):991-1002.@@Burris HA 3rd: Dual kinase inhibition in the treatment of breast cancer: initial experience with the EGFR/ErbB-2 inhibitor lapatinib. Oncologist. 2004;9 Suppl 3:10-5.@@Wood ER, Truesdale AT, McDonald OB, Yuan D, Hassell A, Dickerson SH, Ellis B, Pennisi C, Horne E, Lackey K, Alligood KJ, Rusnak DW, Gilmer TM, Shewchuk L: A unique structure for epidermal growth factor receptor bound to GW572016 (Lapatinib): relationships among protein conformation, inhibitor off-rate, and receptor activity in tumor cells. Cancer Res. 2004 Sep 15;64(18):6652-9.@@Vazquez-Martin A, Oliveras-Ferraros C, Cufi S, Del Barco S, Martin-Castillo B, Menendez JA: Lapatinib, a dual HER1/HER2 tyrosine kinase inhibitor, augments basal cleavage of HER2 extracellular domain (ECD) to inhibit HER2-driven cancer cell growth. J Cell Physiol. 2011 Jan;226(1):52-7. doi: 10.1002/jcp.22333.@@Johnston SR, Leary A: Lapatinib: a novel EGFR/HER2 tyrosine kinase inhibitor for cancer. Drugs Today (Barc). 2006 Jul;42(7):441-53.@@Tevaarwerk AJ, Kolesar JM: Lapatinib: a small-molecule inhibitor of epidermal growth factor receptor and human epidermal growth factor receptor-2 tyrosine kinases used in the treatment of breast cancer. Clin Ther. 2009;31 Pt 2:2332-48. doi: 10.1016/j.clinthera.2009.11.029.@@Medina PJ, Goodin S: Lapatinib: a dual inhibitor of human epidermal growth factor receptor tyrosine kinases. Clin Ther. 2008 Aug;30(8):1426-47. doi: 10.1016/j.clinthera.2008.08.008.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Human epidermal growth factor receptor 2 (HER2) tyrosine kinase inhibitors; Quinazolines" CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1 20463 46507141 D04024 PA152241907 DCL000344 Lapatinib CHEMBL554 480167 DB01259 Lapatinib BE0000511 ERBB2 P04626 ERBB2_HUMAN antagonist 14737100; 14751502; 14967461; 15163842; 15374980; 14633707; 12214266; 20658522; 16894399; 20110044; 18803986; 11752352 "Xia W, Liu LH, Ho P, Spector NL: Truncated ErbB2 receptor (p95ErbB2) is regulated by heregulin through heterodimer formation with ErbB3 yet remains sensitive to the dual EGFR/ErbB2 kinase inhibitor GW572016. Oncogene. 2004 Jan 22;23(3):646-53.@@Zhou H, Kim YS, Peletier A, McCall W, Earp HS, Sartor CI: Effects of the EGFR/HER2 kinase inhibitor GW572016 on EGFR- and HER2-overexpressing breast cancer cell line proliferation, radiosensitization, and resistance. Int J Radiat Oncol Biol Phys. 2004 Feb 1;58(2):344-52.@@Langer CJ: Emerging role of epidermal growth factor receptor inhibition in therapy for advanced malignancy: focus on NSCLC. Int J Radiat Oncol Biol Phys. 2004 Mar 1;58(3):991-1002.@@Burris HA 3rd: Dual kinase inhibition in the treatment of breast cancer: initial experience with the EGFR/ErbB-2 inhibitor lapatinib. Oncologist. 2004;9 Suppl 3:10-5.@@Wood ER, Truesdale AT, McDonald OB, Yuan D, Hassell A, Dickerson SH, Ellis B, Pennisi C, Horne E, Lackey K, Alligood KJ, Rusnak DW, Gilmer TM, Shewchuk L: A unique structure for epidermal growth factor receptor bound to GW572016 (Lapatinib): relationships among protein conformation, inhibitor off-rate, and receptor activity in tumor cells. Cancer Res. 2004 Sep 15;64(18):6652-9.@@Grana TM, Sartor CI, Cox AD: Epidermal growth factor receptor autocrine signaling in RIE-1 cells transformed by the Ras oncogene enhances radiation resistance. Cancer Res. 2003 Nov 15;63(22):7807-14.@@Xia W, Mullin RJ, Keith BR, Liu LH, Ma H, Rusnak DW, Owens G, Alligood KJ, Spector NL: Anti-tumor activity of GW572016: a dual tyrosine kinase inhibitor blocks EGF activation of EGFR/erbB2 and downstream Erk1/2 and AKT pathways. Oncogene. 2002 Sep 12;21(41):6255-63.@@Vazquez-Martin A, Oliveras-Ferraros C, Cufi S, Del Barco S, Martin-Castillo B, Menendez JA: Lapatinib, a dual HER1/HER2 tyrosine kinase inhibitor, augments basal cleavage of HER2 extracellular domain (ECD) to inhibit HER2-driven cancer cell growth. J Cell Physiol. 2011 Jan;226(1):52-7. doi: 10.1002/jcp.22333.@@Johnston SR, Leary A: Lapatinib: a novel EGFR/HER2 tyrosine kinase inhibitor for cancer. Drugs Today (Barc). 2006 Jul;42(7):441-53.@@Tevaarwerk AJ, Kolesar JM: Lapatinib: a small-molecule inhibitor of epidermal growth factor receptor and human epidermal growth factor receptor-2 tyrosine kinases used in the treatment of breast cancer. Clin Ther. 2009;31 Pt 2:2332-48. doi: 10.1016/j.clinthera.2009.11.029.@@Medina PJ, Goodin S: Lapatinib: a dual inhibitor of human epidermal growth factor receptor tyrosine kinases. Clin Ther. 2008 Aug;30(8):1426-47. doi: 10.1016/j.clinthera.2008.08.008.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Human epidermal growth factor receptor 2 (HER2) tyrosine kinase inhibitors; Quinazolines" CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1 20463 46507141 D04024 PA152241907 DCL000344 Lapatinib CHEMBL554 480167 DB01260 Desonide BE0000794 NR3C1 P04150 GCR_HUMAN agonist 20427668; 17038445; 20371666 "Russell GM, Henley DE, Leendertz J, Douthwaite JA, Wood SA, Stevens A, Woltersdorf WW, Peeters BW, Ruigt GS, White A, Veldhuis JD, Lightman SL: Rapid glucocorticoid receptor-mediated inhibition of hypothalamic-pituitary-adrenal ultradian activity in healthy males. J Neurosci. 2010 Apr 28;30(17):6106-15. doi: 10.1523/JNEUROSCI.5332-09.2010.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Otte C, Wust S, Zhao S, Pawlikowska L, Kwok PY, Whooley MA: Glucocorticoid receptor gene, low-grade inflammation, and heart failure: the Heart and Soul study. J Clin Endocrinol Metab. 2010 Jun;95(6):2885-91. doi: 10.1210/jc.2009-2251. Epub 2010 Apr 6." Approved; Investigational 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Pregnadienetriols; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes" [H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7512 46506186 D03696 PA164776996 DAP001188 Desonide CHEMBL1201109 3254 DB01262 Decitabine BE0000892 DNMT1 P26358 DNMT1_HUMAN inhibitor 11069027; 11259619; 11352938; 11688997; 12907443; 11752352; 20072836; 16015501; 18398832; 18425818; 17023173; 29455551; 17991895 "Ando T, Nishimura M, Oka Y: Decitabine (5-Aza-2'-deoxycytidine) decreased DNA methylation and expression of MDR-1 gene in K562/ADM cells. Leukemia. 2000 Nov;14(11):1915-20.@@Karpf AR, Moore BC, Ririe TO, Jones DA: Activation of the p53 DNA damage response pathway after inhibition of DNA methyltransferase by 5-aza-2'-deoxycytidine. Mol Pharmacol. 2001 Apr;59(4):751-7.@@Csankovszki G, Nagy A, Jaenisch R: Synergism of Xist RNA, DNA methylation, and histone hypoacetylation in maintaining X chromosome inactivation. J Cell Biol. 2001 May 14;153(4):773-84.@@Takebayashi S, Nakao M, Fujita N, Sado T, Tanaka M, Taguchi H, Okumura K: 5-Aza-2'-deoxycytidine induces histone hyperacetylation of mouse centromeric heterochromatin by a mechanism independent of DNA demethylation. Biochem Biophys Res Commun. 2001 Nov 9;288(4):921-6.@@Saunthararajah Y, Hillery CA, Lavelle D, Molokie R, Dorn L, Bressler L, Gavazova S, Chen YH, Hoffman R, DeSimone J: Effects of 5-aza-2'-deoxycytidine on fetal hemoglobin levels, red cell adhesion, and hematopoietic differentiation in patients with sickle cell disease. Blood. 2003 Dec 1;102(12):3865-70. Epub 2003 Aug 7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Daskalakis M, Blagitko-Dorfs N, Hackanson B: Decitabine. Recent Results Cancer Res. 2010;184:131-57. doi: 10.1007/978-3-642-01222-8_10.@@Saba HI, Wijermans PW: Decitabine in myelodysplastic syndromes. Semin Hematol. 2005 Jul;42(3 Suppl 2):S23-31.@@Jabbour E, Issa JP, Garcia-Manero G, Kantarjian H: Evolution of decitabine development: accomplishments, ongoing investigations, and future strategies. Cancer. 2008 Jun;112(11):2341-51. doi: 10.1002/cncr.23463.@@Stresemann C, Lyko F: Modes of action of the DNA methyltransferase inhibitors azacytidine and decitabine. Int J Cancer. 2008 Jul 1;123(1):8-13. doi: 10.1002/ijc.23607.@@Oki Y, Aoki E, Issa JP: Decitabine--bedside to bench. Crit Rev Oncol Hematol. 2007 Feb;61(2):140-52. Epub 2006 Oct 4.@@Seelan RS, Mukhopadhyay P, Pisano MM, Greene RM: Effects of 5-Aza-2'-deoxycytidine (decitabine) on gene expression. Drug Metab Rev. 2018 May;50(2):193-207. doi: 10.1080/03602532.2018.1437446. Epub 2018 Feb 18.@@Palii SS, Van Emburgh BO, Sankpal UT, Brown KD, Robertson KD: DNA methylation inhibitor 5-Aza-2'-deoxycytidine induces reversible genome-wide DNA damage that is distinctly influenced by DNA methyltransferases 1 and 3B. Mol Cell Biol. 2008 Jan;28(2):752-71. Epub 2007 Nov 8." Approved; Investigational Triazinones Organic compounds; Organoheterocyclic compounds; Triazines; Triazinones "Myelosuppressive Agents; Ribonucleosides; Glycosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Carbohydrates; Noxae; Aza Compounds; Antineoplastic Agents; Pyrimidine Analogues; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Cytidine Deaminase Substrates; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Pyrimidines; Narrow Therapeutic Index Drugs; Toxic Actions; Pyrimidine Nucleosides" NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1 23041 46505657 D03665 PA164749631 DAP000641 Decitabine CHEMBL1201129 15657 DB01262 Decitabine BE0009880 DNMT3A Q9Y6K1 DNM3A_HUMAN inhibitor 17023173; 29455551; 27330573 "Oki Y, Aoki E, Issa JP: Decitabine--bedside to bench. Crit Rev Oncol Hematol. 2007 Feb;61(2):140-52. Epub 2006 Oct 4.@@Seelan RS, Mukhopadhyay P, Pisano MM, Greene RM: Effects of 5-Aza-2'-deoxycytidine (decitabine) on gene expression. Drug Metab Rev. 2018 May;50(2):193-207. doi: 10.1080/03602532.2018.1437446. Epub 2018 Feb 18.@@Diesch J, Zwick A, Garz AK, Palau A, Buschbeck M, Gotze KS: A clinical-molecular update on azanucleoside-based therapy for the treatment of hematologic cancers. Clin Epigenetics. 2016 Jun 21;8:71. doi: 10.1186/s13148-016-0237-y. eCollection 2016." Approved; Investigational Triazinones Organic compounds; Organoheterocyclic compounds; Triazines; Triazinones "Myelosuppressive Agents; Ribonucleosides; Glycosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Carbohydrates; Noxae; Aza Compounds; Antineoplastic Agents; Pyrimidine Analogues; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Cytidine Deaminase Substrates; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Pyrimidines; Narrow Therapeutic Index Drugs; Toxic Actions; Pyrimidine Nucleosides" NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1 23041 46505657 D03665 PA164749631 DAP000641 Decitabine CHEMBL1201129 15657 DB01262 Decitabine BE0010009 DNMT3B Q9UBC3 DNM3B_HUMAN inhibitor 17991895; 17023173; 29455551; 27330573 "Palii SS, Van Emburgh BO, Sankpal UT, Brown KD, Robertson KD: DNA methylation inhibitor 5-Aza-2'-deoxycytidine induces reversible genome-wide DNA damage that is distinctly influenced by DNA methyltransferases 1 and 3B. Mol Cell Biol. 2008 Jan;28(2):752-71. Epub 2007 Nov 8.@@Oki Y, Aoki E, Issa JP: Decitabine--bedside to bench. Crit Rev Oncol Hematol. 2007 Feb;61(2):140-52. Epub 2006 Oct 4.@@Seelan RS, Mukhopadhyay P, Pisano MM, Greene RM: Effects of 5-Aza-2'-deoxycytidine (decitabine) on gene expression. Drug Metab Rev. 2018 May;50(2):193-207. doi: 10.1080/03602532.2018.1437446. Epub 2018 Feb 18.@@Diesch J, Zwick A, Garz AK, Palau A, Buschbeck M, Gotze KS: A clinical-molecular update on azanucleoside-based therapy for the treatment of hematologic cancers. Clin Epigenetics. 2016 Jun 21;8:71. doi: 10.1186/s13148-016-0237-y. eCollection 2016." Approved; Investigational Triazinones Organic compounds; Organoheterocyclic compounds; Triazines; Triazinones "Myelosuppressive Agents; Ribonucleosides; Glycosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Carbohydrates; Noxae; Aza Compounds; Antineoplastic Agents; Pyrimidine Analogues; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Cytidine Deaminase Substrates; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Pyrimidines; Narrow Therapeutic Index Drugs; Toxic Actions; Pyrimidine Nucleosides" NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1 23041 46505657 D03665 PA164749631 DAP000641 Decitabine CHEMBL1201129 15657 DB01262 Decitabine BE0008667 HDAC1 Q9UKV0 HDAC9_HUMAN inhibitor 26848406 "Favreau AJ, McGlauflin RE, Duarte CW, Sathyanarayana P: miR-199b, a novel tumor suppressor miRNA in acute myeloid leukemia with prognostic implications. Exp Hematol Oncol. 2016 Feb 3;5:4. doi: 10.1186/s40164-016-0033-6. eCollection 2015." Approved; Investigational Triazinones Organic compounds; Organoheterocyclic compounds; Triazines; Triazinones "Myelosuppressive Agents; Ribonucleosides; Glycosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Carbohydrates; Noxae; Aza Compounds; Antineoplastic Agents; Pyrimidine Analogues; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Cytidine Deaminase Substrates; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Pyrimidines; Narrow Therapeutic Index Drugs; Toxic Actions; Pyrimidine Nucleosides" NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1 23041 46505657 D03665 PA164749631 DAP000641 Decitabine CHEMBL1201129 15657 DB01267 Paliperidone BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 7520908; 7531353 "Leysen JE, Janssen PM, Megens AA, Schotte A: Risperidone: a novel antipsychotic with balanced serotonin-dopamine antagonism, receptor occupancy profile, and pharmacologic activity. J Clin Psychiatry. 1994 May;55 Suppl:5-12.@@Megens AA, Awouters FH, Schotte A, Meert TF, Dugovic C, Niemegeers CJ, Leysen JE: Survey on the pharmacodynamics of the new antipsychotic risperidone. Psychopharmacology (Berl). 1994 Feb;114(1):9-23." Approved Pyridopyrimidines Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Isoxazoles; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Dopamine Agents CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1 20163 46506296 D05339 PA163518919 DAP000847 Paliperidone CHEMBL1621 679314 DB01267 Paliperidone BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 11132243 "Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39." Approved Pyridopyrimidines Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Isoxazoles; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Dopamine Agents CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1 20163 46506296 D05339 PA163518919 DAP000847 Paliperidone CHEMBL1621 679314 DB01267 Paliperidone BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 28449568; 22023179 "Cicek E, Cicek IE, Uguz F: Bilateral Pretibial Edema Associated with Paliperidone Palmitate Long-acting Injectable: A Case Report. Clin Psychopharmacol Neurosci. 2017 May 31;15(2):184-186. doi: 10.9758/cpn.2017.15.2.184.@@Gilday E, Nasrallah HA: Clinical pharmacology of paliperidone palmitate a parenteral long-acting formulation for the treatment of schizophrenia. Rev Recent Clin Trials. 2012 Feb;7(1):2-9." Approved Pyridopyrimidines Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Isoxazoles; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Dopamine Agents CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1 20163 46506296 D05339 PA163518919 DAP000847 Paliperidone CHEMBL1621 679314 DB01267 Paliperidone BE0000650 HTR7 P34969 5HT7R_HUMAN 18996971; 19509219; 20827463 "Knight JA, Smith C, Toohey N, Klein MT, Teitler M: Pharmacological analysis of the novel, rapid, and potent inactivation of the human 5-Hydroxytryptamine7 receptor by risperidone, 9-OH-Risperidone, and other inactivating antagonists. Mol Pharmacol. 2009 Feb;75(2):374-80. doi: 10.1124/mol.108.052084. Epub 2008 Nov 7.@@Toohey N, Klein MT, Knight J, Smith C, Teitler M: Human 5-HT7 receptor-induced inactivation of forskolin-stimulated adenylate cyclase by risperidone, 9-OH-risperidone and other ""inactivating antagonists"". Mol Pharmacol. 2009 Sep;76(3):552-9. doi: 10.1124/mol.109.056283. Epub 2009 Jun 9.@@Teitler M, Toohey N, Knight JA, Klein MT, Smith C: Clozapine and other competitive antagonists reactivate risperidone-inactivated h5-HT7 receptors: radioligand binding and functional evidence for GPCR homodimer protomer interactions. Psychopharmacology (Berl). 2010 Dec;212(4):687-97. doi: 10.1007/s00213-010-2001-x. Epub 2010 Sep 9." Approved Pyridopyrimidines Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Isoxazoles; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Dopamine Agents CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1 20163 46506296 D05339 PA163518919 DAP000847 Paliperidone CHEMBL1621 679314 DB01268 Sunitinib BE0000029 FLT1 P17948 VGFR1_HUMAN inhibitor 14654525; 17367763 "O'Farrell AM, Foran JM, Fiedler W, Serve H, Paquette RL, Cooper MA, Yuen HA, Louie SG, Kim H, Nicholas S, Heinrich MC, Berdel WE, Bello C, Jacobs M, Scigalla P, Manning WC, Kelsey S, Cherrington JM: An innovative phase I clinical study demonstrates inhibition of FLT3 phosphorylation by SU11248 in acute myeloid leukemia patients. Clin Cancer Res. 2003 Nov 15;9(15):5465-76.@@Roskoski R Jr: Sunitinib: a VEGF and PDGF receptor protein kinase and angiogenesis inhibitor. Biochem Biophys Res Commun. 2007 May 4;356(2):323-8. Epub 2007 Mar 7." Approved; Investigational Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines "QTc Prolonging Agents; Enzyme Inhibitors; Growth Substances; Angiogenesis Inhibitors; Cytochrome P-450 CYP3A Substrates; Indoles; Blood Glucose Lowering Agents; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Angiogenesis Modulating Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Growth Inhibitors; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hypoglycemia-Associated Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates" CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C 19249 46507140 D06402 PA162372840 DCL000646 Sunitinib CHEMBL535 357977 DB01268 Sunitinib BE0000453 KIT P10721 KIT_HUMAN inhibitor 12748309; 12873999; 17545799; 14753710; 17367763; 11752352 "Abrams TJ, Lee LB, Murray LJ, Pryer NK, Cherrington JM: SU11248 inhibits KIT and platelet-derived growth factor receptor beta in preclinical models of human small cell lung cancer. Mol Cancer Ther. 2003 May;2(5):471-8.@@Schueneman AJ, Himmelfarb E, Geng L, Tan J, Donnelly E, Mendel D, McMahon G, Hallahan DE: SU11248 maintenance therapy prevents tumor regrowth after fractionated irradiation of murine tumor models. Cancer Res. 2003 Jul 15;63(14):4009-16.@@Joensuu H: Second line therapies for the treatment of gastrointestinal stromal tumor. Curr Opin Oncol. 2007 Jul;19(4):353-8.@@Baratte S, Sarati S, Frigerio E, James CA, Ye C, Zhang Q: Quantitation of SU1 1248, an oral multi-target tyrosine kinase inhibitor, and its metabolite in monkey tissues by liquid chromatograph with tandem mass spectrometry following semi-automated liquid-liquid extraction. J Chromatogr A. 2004 Jan 23;1024(1-2):87-94.@@Roskoski R Jr: Sunitinib: a VEGF and PDGF receptor protein kinase and angiogenesis inhibitor. Biochem Biophys Res Commun. 2007 May 4;356(2):323-8. Epub 2007 Mar 7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines "QTc Prolonging Agents; Enzyme Inhibitors; Growth Substances; Angiogenesis Inhibitors; Cytochrome P-450 CYP3A Substrates; Indoles; Blood Glucose Lowering Agents; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Angiogenesis Modulating Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Growth Inhibitors; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hypoglycemia-Associated Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates" CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C 19249 46507140 D06402 PA162372840 DCL000646 Sunitinib CHEMBL535 357977 DB01268 Sunitinib BE0000915 MET P08581 MET_HUMAN inhibitor 30658233 "Ibrahim HS, Albakri ME, Mahmoud WR, Allam HA, Reda AM, Abdel-Aziz HA: Synthesis and biological evaluation of some novel thiobenzimidazole derivatives as anti-renal cancer agents through inhibition of c-MET kinase. Bioorg Chem. 2019 Apr;85:337-348. doi: 10.1016/j.bioorg.2019.01.006. Epub 2019 Jan 8." Approved; Investigational Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines "QTc Prolonging Agents; Enzyme Inhibitors; Growth Substances; Angiogenesis Inhibitors; Cytochrome P-450 CYP3A Substrates; Indoles; Blood Glucose Lowering Agents; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Angiogenesis Modulating Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Growth Inhibitors; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hypoglycemia-Associated Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates" CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C 19249 46507140 D06402 PA162372840 DCL000646 Sunitinib CHEMBL535 357977 DB01269 Panitumumab BE0000767 EGFR P00533 EGFR_HUMAN suppressor 11894013; 12620146; 14967460; 16012181; 16857825; 11255078; 20623992; 18343240; 17355997; 18503402; 20481659; 11752352 "Lynch DH, Yang XD: Therapeutic potential of ABX-EGF: a fully human anti-epidermal growth factor receptor monoclonal antibody for cancer treatment. Semin Oncol. 2002 Feb;29(1 Suppl 4):47-50.@@Cohen RB: Epidermal growth factor receptor as a therapeutic target in colorectal cancer. Clin Colorectal Cancer. 2003 Feb;2(4):246-51.@@Foon KA, Yang XD, Weiner LM, Belldegrun AS, Figlin RA, Crawford J, Rowinsky EK, Dutcher JP, Vogelzang NJ, Gollub J, Thompson JA, Schwartz G, Bukowski RM, Roskos LK, Schwab GM: Preclinical and clinical evaluations of ABX-EGF, a fully human anti-epidermal growth factor receptor antibody. Int J Radiat Oncol Biol Phys. 2004 Mar 1;58(3):984-90.@@Segaert S, Van Cutsem E: Clinical signs, pathophysiology and management of skin toxicity during therapy with epidermal growth factor receptor inhibitors. Ann Oncol. 2005 Sep;16(9):1425-33. Epub 2005 Jul 12.@@Heymach JV, Nilsson M, Blumenschein G, Papadimitrakopoulou V, Herbst R: Epidermal growth factor receptor inhibitors in development for the treatment of non-small cell lung cancer. Clin Cancer Res. 2006 Jul 15;12(14 Pt 2):4441s-4445s.@@Yang XD, Jia XC, Corvalan JR, Wang P, Davis CG: Development of ABX-EGF, a fully human anti-EGF receptor monoclonal antibody, for cancer therapy. Crit Rev Oncol Hematol. 2001 Apr;38(1):17-23.@@Keating GM: Spotlight on panitumumab in metastatic colorectal cancer. BioDrugs. 2010 Aug 1;24(4):275-8. doi: 10.2165/11205460-000000000-00000.@@Wu M, Rivkin A, Pham T: Panitumumab: human monoclonal antibody against epidermal growth factor receptors for the treatment of metastatic colorectal cancer. Clin Ther. 2008 Jan;30(1):14-30. doi: 10.1016/j.clinthera.2008.01.014.@@Saadeh CE, Lee HS: Panitumumab: a fully human monoclonal antibody with activity in metastatic colorectal cancer. Ann Pharmacother. 2007 Apr;41(4):606-13. Epub 2007 Mar 13.@@Jean GW, Shah SR: Epidermal growth factor receptor monoclonal antibodies for the treatment of metastatic colorectal cancer. Pharmacotherapy. 2008 Jun;28(6):742-54. doi: 10.1592/phco.28.6.742.@@Keating GM: Panitumumab: a review of its use in metastatic colorectal cancer. Drugs. 2010 May 28;70(8):1059-78. doi: 10.2165/11205090-000000000-00000.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; EGFR (Epidermal Growth Factor Receptor) inhibitors; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; HER1 Antagonists; Proteins; Antineoplastic Agents; Immunoglobulins; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Epidermal Growth Factor Receptor Antagonist; Blood Proteins" Panitumumab Action Pathway drug_action 20210 46505063 PA162373091 P01859 DNC000135 Panitumumab CHEMBL1201827 263034 DB01271 Idursulfase BE0000856 PLIN3 O60664 PLIN3_HUMAN 17139284; 17016423; 18201153; 19707363; 18038146 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Clarke LA: Idursulfase for the treatment of mucopolysaccharidosis II. Expert Opin Pharmacother. 2008 Feb;9(2):311-7. doi: 10.1517/14656566.9.2.311 .@@Burrow TA, Leslie ND: Review of the use of idursulfase in the treatment of mucopolysaccharidosis II. Biologics. 2008 Jun;2(2):311-20.@@Wraith JE, Scarpa M, Beck M, Bodamer OA, De Meirleir L, Guffon N, Meldgaard Lund A, Malm G, Van der Ploeg AT, Zeman J: Mucopolysaccharidosis type II (Hunter syndrome): a clinical review and recommendations for treatment in the era of enzyme replacement therapy. Eur J Pediatr. 2008 Mar;167(3):267-77. Epub 2007 Nov 23." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Esterases; Hydrolases; Enzymes and Coenzymes; Sulfatases; Hydrolytic Lysosomal Glycosaminoglycan-specific Enzyme; Alimentary Tract and Metabolism; Enzymes 20141 46507347 PA164749134 Idursulfase CHEMBL1201826 644101 DB01272 Alglucosidase alfa BE0004494 M6PR P20645 MPRD_HUMAN binder 17927214 "Chavez CA, Bohnsack RN, Kudo M, Gotschall RR, Canfield WM, Dahms NM: Domain 5 of the cation-independent mannose 6-phosphate receptor preferentially binds phosphodiesters (mannose 6-phosphate N-acetylglucosamine ester). Biochemistry. 2007 Nov 6;46(44):12604-17. Epub 2007 Oct 10." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Glycoside Hydrolases; Hydrolases; Glycogen Storage Disease Type II; Enzymes and Coenzymes; Hydrolytic Lysosomal Glycogen-specific Enzyme; Glucosidases; Alimentary Tract and Metabolism; Enzymes 19883 46504595 D03207 PA164754753 DAP001289 Alglucosidase_alfa CHEMBL1201824 629565 DB01273 Varenicline BE0000849 CHRNA4 P43681 ACHA4_HUMAN partial agonist 17692720; 18288085; 17573127; 17626178; 11752352 "Nakamura M, Oshima A, Fujimoto Y, Maruyama N, Ishibashi T, Reeves KR: Efficacy and tolerability of varenicline, an alpha4beta2 nicotinic acetylcholine receptor partial agonist, in a 12-week, randomized, placebo-controlled, dose-response study with 40-week follow-up for smoking cessation in Japanese smokers. Clin Ther. 2007 Jun;29(6):1040-56.@@McColl SL, Burstein AH, Reeves KR, Billing CB Jr, Stolar M, Sellers EM: Human abuse liability of the smoking cessation drug varenicline in smokers and nonsmokers. Clin Pharmacol Ther. 2008 Apr;83(4):607-14. doi: 10.1038/sj.clpt.6100510. Epub 2008 Feb 20.@@Rollema H, Coe JW, Chambers LK, Hurst RS, Stahl SM, Williams KE: Rationale, pharmacology and clinical efficacy of partial agonists of alpha4beta2 nACh receptors for smoking cessation. Trends Pharmacol Sci. 2007 Jul;28(7):316-25. Epub 2007 Jun 18.@@Steensland P, Simms JA, Holgate J, Richards JK, Bartlett SE: Varenicline, an alpha4beta2 nicotinic acetylcholine receptor partial agonist, selectively decreases ethanol consumption and seeking. Proc Natl Acad Sci U S A. 2007 Jul 24;104(30):12518-23. Epub 2007 Jul 11.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational "OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cholinergic Agents; OCT2 Substrates; Drugs Used in Addictive Disorders; Partial Cholinergic Nicotinic Agonists; Drugs that are Mainly Renally Excreted; Cholinergic Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Smoking Cessation Agents; Quinoxalines; Cholinergic Agonists; Benzazepines; Drugs Used in Nicotine Dependence; Ophthalmologicals; Neurotransmitter Agents; Partial Cholinergic Nicotinic Agonist; Nervous System; Sensory Organs" C1C2CNCC1C1=C2C=C2N=CC=NC2=C1 20097 46505502 PA164781343 DAP001535 Varenicline CHEMBL1396 591622 DB01273 Varenicline BE0003585 CHRNA3 P32297 ACHA3_HUMAN partial agonist 16766716 "Mihalak KB, Carroll FI, Luetje CW: Varenicline is a partial agonist at alpha4beta2 and a full agonist at alpha7 neuronal nicotinic receptors. Mol Pharmacol. 2006 Sep;70(3):801-5. Epub 2006 Jun 9." Approved; Investigational "OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cholinergic Agents; OCT2 Substrates; Drugs Used in Addictive Disorders; Partial Cholinergic Nicotinic Agonists; Drugs that are Mainly Renally Excreted; Cholinergic Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Smoking Cessation Agents; Quinoxalines; Cholinergic Agonists; Benzazepines; Drugs Used in Nicotine Dependence; Ophthalmologicals; Neurotransmitter Agents; Partial Cholinergic Nicotinic Agonist; Nervous System; Sensory Organs" C1C2CNCC1C1=C2C=C2N=CC=NC2=C1 20097 46505502 PA164781343 DAP001535 Varenicline CHEMBL1396 591622 DB01273 Varenicline BE0003587 CHRNA6 Q15825 ACHA6_HUMAN partial agonist 16766716 "Mihalak KB, Carroll FI, Luetje CW: Varenicline is a partial agonist at alpha4beta2 and a full agonist at alpha7 neuronal nicotinic receptors. Mol Pharmacol. 2006 Sep;70(3):801-5. Epub 2006 Jun 9." Approved; Investigational "OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cholinergic Agents; OCT2 Substrates; Drugs Used in Addictive Disorders; Partial Cholinergic Nicotinic Agonists; Drugs that are Mainly Renally Excreted; Cholinergic Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Smoking Cessation Agents; Quinoxalines; Cholinergic Agonists; Benzazepines; Drugs Used in Nicotine Dependence; Ophthalmologicals; Neurotransmitter Agents; Partial Cholinergic Nicotinic Agonist; Nervous System; Sensory Organs" C1C2CNCC1C1=C2C=C2N=CC=NC2=C1 20097 46505502 PA164781343 DAP001535 Varenicline CHEMBL1396 591622 DB01275 Hydralazine BE0002374 HIF1A Q16665 HIF1A_HUMAN inducer 15192023 "Knowles HJ, Tian YM, Mole DR, Harris AL: Novel mechanism of action for hydralazine: induction of hypoxia-inducible factor-1alpha, vascular endothelial growth factor, and angiogenesis by inhibition of prolyl hydroxylases. Circ Res. 2004 Jul 23;95(2):162-9. Epub 2004 Jun 10." Approved Phthalazines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Phthalazines; Antihypertensive Agents; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Arteriolar Vasodilator; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Pyridazines; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Direct Vasodilators; Arteriolar Vasodilation; Hydrazinophthalazine Derivatives and Diuretics; Arteriolar Smooth Muscle, Agents Acting On; Hydrazinophthalazine Derivatives" NNC1=NN=CC2=CC=CC=C12 6436 46507533 D08044 PA449894 DAP000728 Hydralazine CHEMBL276832 5470 DB01275 Hydralazine BE0000060 P4HA1 P13674 P4HA1_HUMAN inhibitor 11752352; 15192023; 2994564; 856725 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Knowles HJ, Tian YM, Mole DR, Harris AL: Novel mechanism of action for hydralazine: induction of hypoxia-inducible factor-1alpha, vascular endothelial growth factor, and angiogenesis by inhibition of prolyl hydroxylases. Circ Res. 2004 Jul 23;95(2):162-9. Epub 2004 Jun 10.@@Murad S, Tajima S, Pinnell SR: A paradoxical effect of hydralazine on prolyl and lysyl hydroxylase activities in cultured human skin fibroblasts. Arch Biochem Biophys. 1985 Sep;241(2):356-63.@@Chen KH, Paz MA, Gallop PM: Collagen prolyl hydroxylation in WI-38 fibroblast cultures: action of hydralazine. In Vitro. 1977 Jan;13(1):49-54." Approved Phthalazines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Phthalazines; Antihypertensive Agents; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Arteriolar Vasodilator; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Pyridazines; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Direct Vasodilators; Arteriolar Vasodilation; Hydrazinophthalazine Derivatives and Diuretics; Arteriolar Smooth Muscle, Agents Acting On; Hydrazinophthalazine Derivatives" NNC1=NN=CC2=CC=CC=C12 6436 46507533 D08044 PA449894 DAP000728 Hydralazine CHEMBL276832 5470 DB01276 Exenatide BE0000857 GLP1R P43220 GLP1R_HUMAN agonist 16722815; 17292977; 17353295; 16534527; 17379930; 20649595; 15331551; 15495988; 15700891; 16341288; 16627399; 11752352; 27456750; 24373234; 28086882; 27981757; 26213556; 26824365 "Briones M, Bajaj M: Exenatide: a GLP-1 receptor agonist as novel therapy for Type 2 diabetes mellitus. Expert Opin Pharmacother. 2006 Jun;7(8):1055-64.@@Hargrove DM, Kendall ES, Reynolds JM, Lwin AN, Herich JP, Smith PA, Gedulin BR, Flanagan SD, Jodka CM, Hoyt JA, McCowen KM, Parkes DG, Anderson CM: Biological activity of AC3174, a peptide analog of exendin-4. Regul Pept. 2007 Jun 7;141(1-3):113-9. Epub 2007 Jan 11.@@Wajchenberg BL: beta-cell failure in diabetes and preservation by clinical treatment. Endocr Rev. 2007 Apr;28(2):187-218. Epub 2007 Mar 12.@@Mack CM, Moore CX, Jodka CM, Bhavsar S, Wilson JK, Hoyt JA, Roan JL, Vu C, Laugero KD, Parkes DG, Young AA: Antiobesity action of peripheral exenatide (exendin-4) in rodents: effects on food intake, body weight, metabolic status and side-effect measures. Int J Obes (Lond). 2006 Sep;30(9):1332-40. Epub 2006 Mar 14.@@Geelhoed-Duijvestijn PH: Incretins: a new treatment option for type 2 diabetes? Neth J Med. 2007 Feb;65(2):60-4.@@Mann RJ, Nasr NE, Sinfield JK, Paci E, Donnelly D: The major determinant of exendin-4/glucagon-like peptide 1 differential affinity at the rat glucagon-like peptide 1 receptor N-terminal domain is a hydrogen bond from SER-32 of exendin-4. Br J Pharmacol. 2010 Aug;160(8):1973-84. doi: 10.1111/j.1476-5381.2010.00834.x.@@Degn KB, Brock B, Juhl CB, Djurhuus CB, Grubert J, Kim D, Han J, Taylor K, Fineman M, Schmitz O: Effect of intravenous infusion of exenatide (synthetic exendin-4) on glucose-dependent insulin secretion and counterregulation during hypoglycemia. Diabetes. 2004 Sep;53(9):2397-403.@@Diamant M, Bunck MC, Heine RJ: [Analogs of glucagon-like peptide-1 (GLP-1): an old concept as a new treatment of patients with diabetes mellitus type 2]. Ned Tijdschr Geneeskd. 2004 Sep 25;148(39):1912-7.@@Kolterman OG, Kim DD, Shen L, Ruggles JA, Nielsen LL, Fineman MS, Baron AD: Pharmacokinetics, pharmacodynamics, and safety of exenatide in patients with type 2 diabetes mellitus. Am J Health Syst Pharm. 2005 Jan 15;62(2):173-81.@@Barnett AH: Exenatide. Drugs Today (Barc). 2005 Sep;41(9):563-78.@@Lebovitz HE: Therapeutic options in development for management of diabetes: pharmacologic agents and new technologies. Endocr Pract. 2006 Jan-Feb;12 Suppl 1:142-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Xue X, Ren Z, Zhang A, Yang Q, Zhang W, Liu F: Efficacy and safety of once-weekly glucagon-like peptide-1 receptor agonists compared with exenatide and liraglutide in type 2 diabetes: a systemic review of randomised controlled trials. Int J Clin Pract. 2016 Aug;70(8):649-56. doi: 10.1111/ijcp.12847. Epub 2016 Jul 25.@@Nadkarni P, Chepurny OG, Holz GG: Regulation of glucose homeostasis by GLP-1. Prog Mol Biol Transl Sci. 2014;121:23-65. doi: 10.1016/B978-0-12-800101-1.00002-8.@@Lorenz M, Lawson F, Owens D, Raccah D, Roy-Duval C, Lehmann A, Perfetti R, Blonde L: Differential effects of glucagon-like peptide-1 receptor agonists on heart rate. Cardiovasc Diabetol. 2017 Jan 13;16(1):6. doi: 10.1186/s12933-016-0490-6.@@Htike ZZ, Zaccardi F, Papamargaritis D, Webb DR, Khunti K, Davies MJ: Efficacy and safety of glucagon-like peptide-1 receptor agonists in type 2 diabetes: A systematic review and mixed-treatment comparison analysis. Diabetes Obes Metab. 2017 Apr;19(4):524-536. doi: 10.1111/dom.12849. Epub 2017 Feb 17.@@Prasad-Reddy L, Isaacs D: A clinical review of GLP-1 receptor agonists: efficacy and safety in diabetes and beyond. Drugs Context. 2015 Jul 9;4:212283. doi: 10.7573/dic.212283. eCollection 2015.@@Gallwitz B: Novel Therapeutic Approaches in Diabetes. Endocr Dev. 2016;31:43-56. doi: 10.1159/000439372. Epub 2016 Jan 19." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Incretins; Glucagon-Like Peptide 1; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Bodily Secretions; Fluids and Secretions; Toxins, Biological; Alimentary Tract and Metabolism; Hormones; Biological Factors; Peptides; Glucagon-like peptide-1 (GLP-1) analogues; GLP-1 Agonists; Drugs Used in Diabetes; Hypoglycemia-Associated Agents; Anti-Obesity Agents; Venoms; Incretin Mimetics; Hormones, Hormone Substitutes, and Hormone Antagonists" 20660 46509017 D04121 PA164749238 DAP001038 Exenatide CHEMBL414357 60548 DB01277 Mecasermin BE0000858 IGF1R P08069 IGF1R_HUMAN agonist 19198769 Rosenbloom AL: Mecasermin (recombinant human insulin-like growth factor I). Adv Ther. 2009 Jan;26(1):40-54. doi: 10.1007/s12325-008-0136-5. Epub 2009 Jan 28. Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Biological Factors; Intercellular Signaling Peptides and Proteins; Somatropin and Somatropin Agonists; Hypoglycemia-Associated Agents; Growth Substances; Human Insulin-like Growth Factor Analogs; Recombinant Human Insulin-like Growth Factor-1; Peptides; Anterior Pituitary Lobe Hormones and Analogues; Proteins; Blood Proteins; Somatomedins; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Pituitary and Hypothalamic Hormones and Analogues; Somatotropin Agonists" 23544 46504889 D04870 PA164774876 DAP000287 Mecasermin CHEMBL1201716 274403 DB01277 Mecasermin BE0000033 INSR P06213 INSR_HUMAN 19198769 Rosenbloom AL: Mecasermin (recombinant human insulin-like growth factor I). Adv Ther. 2009 Jan;26(1):40-54. doi: 10.1007/s12325-008-0136-5. Epub 2009 Jan 28. Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Biological Factors; Intercellular Signaling Peptides and Proteins; Somatropin and Somatropin Agonists; Hypoglycemia-Associated Agents; Growth Substances; Human Insulin-like Growth Factor Analogs; Recombinant Human Insulin-like Growth Factor-1; Peptides; Anterior Pituitary Lobe Hormones and Analogues; Proteins; Blood Proteins; Somatomedins; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Pituitary and Hypothalamic Hormones and Analogues; Somatotropin Agonists" 23544 46504889 D04870 PA164774876 DAP000287 Mecasermin CHEMBL1201716 274403 DB01277 Mecasermin BE0003623 IGF2R P11717 MPRI_HUMAN 19198769 Rosenbloom AL: Mecasermin (recombinant human insulin-like growth factor I). Adv Ther. 2009 Jan;26(1):40-54. doi: 10.1007/s12325-008-0136-5. Epub 2009 Jan 28. Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Biological Factors; Intercellular Signaling Peptides and Proteins; Somatropin and Somatropin Agonists; Hypoglycemia-Associated Agents; Growth Substances; Human Insulin-like Growth Factor Analogs; Recombinant Human Insulin-like Growth Factor-1; Peptides; Anterior Pituitary Lobe Hormones and Analogues; Proteins; Blood Proteins; Somatomedins; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Pituitary and Hypothalamic Hormones and Analogues; Somatotropin Agonists" 23544 46504889 D04870 PA164774876 DAP000287 Mecasermin CHEMBL1201716 274403 DB01278 Pramlintide BE0000431 CALCR P30988 CALCR_HUMAN agonist 11772274; 19273748; 20357016; 20015292; 18593822; 15494035 "Nyholm B, Brock B, Orskov L, Schmitz O: Amylin receptor agonists: a novel pharmacological approach in the management of insulin-treated diabetes mellitus. Expert Opin Investig Drugs. 2001 Sep;10(9):1641-52.@@Roth JD, Maier H, Chen S, Roland BL: Implications of amylin receptor agonism: integrated neurohormonal mechanisms and therapeutic applications. Arch Neurol. 2009 Mar;66(3):306-10. doi: 10.1001/archneurol.2008.581.@@Lutz TA: The role of amylin in the control of energy homeostasis. Am J Physiol Regul Integr Comp Physiol. 2010 Jun;298(6):R1475-84. doi: 10.1152/ajpregu.00703.2009. Epub 2010 Mar 31.@@Qi T, Hay DL: Structure-function relationships of the N-terminus of receptor activity-modifying proteins. Br J Pharmacol. 2010 Mar;159(5):1059-68. doi: 10.1111/j.1476-5381.2009.00541.x. Epub 2009 Dec 10.@@Qi T, Christopoulos G, Bailey RJ, Christopoulos A, Sexton PM, Hay DL: Identification of N-terminal receptor activity-modifying protein residues important for calcitonin gene-related peptide, adrenomedullin, and amylin receptor function. Mol Pharmacol. 2008 Oct;74(4):1059-71. doi: 10.1124/mol.108.047142. Epub 2008 Jul 1.@@Hay DL, Christopoulos G, Christopoulos A, Sexton PM: Amylin receptors: molecular composition and pharmacology. Biochem Soc Trans. 2004 Nov;32(Pt 5):865-7." Approved; Investigational "Drugs Used in Diabetes; Peptide Hormones; Amylin Agonists; Hypoglycemia-Associated Agents; Amylin Analog; Amyloid; Amyloidogenic Proteins; Peptides; Pancreatic Hormones; Proteins; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H]N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(N)=O 46509048 D05595 PA164781394 DCL000936 Pramlintide CHEMBL2103758 139953 DB01278 Pramlintide BE0000861 RAMP3 O60896 RAMP3_HUMAN agonist 17139284; 17016423; 11772274; 19273748; 20357016; 20015292; 18593822; 15494035 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Nyholm B, Brock B, Orskov L, Schmitz O: Amylin receptor agonists: a novel pharmacological approach in the management of insulin-treated diabetes mellitus. Expert Opin Investig Drugs. 2001 Sep;10(9):1641-52.@@Roth JD, Maier H, Chen S, Roland BL: Implications of amylin receptor agonism: integrated neurohormonal mechanisms and therapeutic applications. Arch Neurol. 2009 Mar;66(3):306-10. doi: 10.1001/archneurol.2008.581.@@Lutz TA: The role of amylin in the control of energy homeostasis. Am J Physiol Regul Integr Comp Physiol. 2010 Jun;298(6):R1475-84. doi: 10.1152/ajpregu.00703.2009. Epub 2010 Mar 31.@@Qi T, Hay DL: Structure-function relationships of the N-terminus of receptor activity-modifying proteins. Br J Pharmacol. 2010 Mar;159(5):1059-68. doi: 10.1111/j.1476-5381.2009.00541.x. Epub 2009 Dec 10.@@Qi T, Christopoulos G, Bailey RJ, Christopoulos A, Sexton PM, Hay DL: Identification of N-terminal receptor activity-modifying protein residues important for calcitonin gene-related peptide, adrenomedullin, and amylin receptor function. Mol Pharmacol. 2008 Oct;74(4):1059-71. doi: 10.1124/mol.108.047142. Epub 2008 Jul 1.@@Hay DL, Christopoulos G, Christopoulos A, Sexton PM: Amylin receptors: molecular composition and pharmacology. Biochem Soc Trans. 2004 Nov;32(Pt 5):865-7." Approved; Investigational "Drugs Used in Diabetes; Peptide Hormones; Amylin Agonists; Hypoglycemia-Associated Agents; Amylin Analog; Amyloid; Amyloidogenic Proteins; Peptides; Pancreatic Hormones; Proteins; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H]N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(N)=O 46509048 D05595 PA164781394 DCL000936 Pramlintide CHEMBL2103758 139953 DB01279 Galsulfase BE0000856 PLIN3 O60664 PLIN3_HUMAN 17016423; 18709516 "Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@White JT, Argento Martell L, Prince WS, Boyer R, Crockett L, Cox C, Van Tuyl A, Aguilera A, Foehr E: Comparison of neutralizing antibody assays for receptor binding and enzyme activity of the enzyme replacement therapeutic Naglazyme (galsulfase). AAPS J. 2008 Sep;10(3):439-49. doi: 10.1208/s12248-008-9048-1. Epub 2008 Aug 16." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Esterases; Chondroitinsulfatases; Arylsulfatases; Hydrolases; Enzymes and Coenzymes; Sulfatases; Hydrolytic Lysosomal Glycosaminoglycan-specific Enzyme; Proteins; Chondroitinases and Chondroitin Lyases; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism; Enzymes" 22147 46509151 PA164746235 DAP001290 Arylsulfatase_B CHEMBL1201822 578033 DB01280 Nelarabine BE0000546 POLA1 P09884 DPOLA_HUMAN inhibitor 91427; 18035189; 18473971; 12750168 "Ono K, Ohashi A, Yamamoto A, Matsukage A, Takahasi T, Saneyoshi M, Ueda T: Inhibitory effects of 9-beta-D-arabinofuranosylguanine 5'-triphosphate and 9-beta-D-arabinofuranosyladenine 5'-triphosphate on DNA polymerases from murine cells and oncornavirus. Cancer Res. 1979 Nov;39(11):4673-80.@@Buie LW, Epstein SS, Lindley CM: Nelarabine: a novel purine antimetabolite antineoplastic agent. Clin Ther. 2007 Sep;29(9):1887-99.@@Curbo S, Karlsson A: Nelarabine: a new purine analog in the treatment of hematologic malignancies. Rev Recent Clin Trials. 2006 Sep;1(3):185-92.@@Rodriguez CO Jr, Stellrecht CM, Gandhi V: Mechanisms for T-cell selective cytotoxicity of arabinosylguanine. Blood. 2003 Sep 1;102(5):1842-8. Epub 2003 May 15." Approved; Investigational Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" "Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Nucleosides; Antimetabolites; Narrow Therapeutic Index Drugs; Nucleic Acids, Nucleotides, and Nucleosides; Antineoplastic Agents; Purine Analogues" COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 16030 46506325 D05134 PA164752425 DAP000985 Nelarabine CHEMBL1201112 274771 DB01280 Nelarabine BE0000199 LIG1 P18858 DNLI1_HUMAN inhibitor 18035189; 18473971 "Buie LW, Epstein SS, Lindley CM: Nelarabine: a novel purine antimetabolite antineoplastic agent. Clin Ther. 2007 Sep;29(9):1887-99.@@Curbo S, Karlsson A: Nelarabine: a new purine analog in the treatment of hematologic malignancies. Rev Recent Clin Trials. 2006 Sep;1(3):185-92." Approved; Investigational Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" "Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Nucleosides; Antimetabolites; Narrow Therapeutic Index Drugs; Nucleic Acids, Nucleotides, and Nucleosides; Antineoplastic Agents; Purine Analogues" COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 16030 46506325 D05134 PA164752425 DAP000985 Nelarabine CHEMBL1201112 274771 DB01280 Nelarabine BE0010216 PRIM1 P49642 PRI1_HUMAN inhibitor 18035189; 18473971 "Buie LW, Epstein SS, Lindley CM: Nelarabine: a novel purine antimetabolite antineoplastic agent. Clin Ther. 2007 Sep;29(9):1887-99.@@Curbo S, Karlsson A: Nelarabine: a new purine analog in the treatment of hematologic malignancies. Rev Recent Clin Trials. 2006 Sep;1(3):185-92." Approved; Investigational Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" "Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Nucleosides; Antimetabolites; Narrow Therapeutic Index Drugs; Nucleic Acids, Nucleotides, and Nucleosides; Antineoplastic Agents; Purine Analogues" COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 16030 46506325 D05134 PA164752425 DAP000985 Nelarabine CHEMBL1201112 274771 DB01280 Nelarabine BE0000325 RRM1 P23921 RIR1_HUMAN inhibitor 18035189; 18473971 "Buie LW, Epstein SS, Lindley CM: Nelarabine: a novel purine antimetabolite antineoplastic agent. Clin Ther. 2007 Sep;29(9):1887-99.@@Curbo S, Karlsson A: Nelarabine: a new purine analog in the treatment of hematologic malignancies. Rev Recent Clin Trials. 2006 Sep;1(3):185-92." Approved; Investigational Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" "Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Nucleosides; Antimetabolites; Narrow Therapeutic Index Drugs; Nucleic Acids, Nucleotides, and Nucleosides; Antineoplastic Agents; Purine Analogues" COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 16030 46506325 D05134 PA164752425 DAP000985 Nelarabine CHEMBL1201112 274771 DB01284 Tetracosactide BE0000848 MC2R Q01718 ACTHR_HUMAN agonist 15710205; 2156274; 20562554; 11752352 "Schwerin M, Kanitz E, Tuchscherer M, Brussow KP, Nurnberg G, Otten W: Stress-related gene expression in brain and adrenal gland of porcine fetuses and neonates. Theriogenology. 2005 Mar 1;63(4):1220-34.@@Mehrabani PA, Bassett JR: Adrenocorticotropin binding sites in rat cardiac tissue. Pharmacol Biochem Behav. 1990 Jan;35(1):99-103.@@Moraes RB, Czepielewski MA, Friedman G: Cortisol variation after low-dose Cortrosyn test. Crit Care Med. 2010 Jul;38(7):1612-3. doi: 10.1097/CCM.0b013e3181da4ef1.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Polypeptides Organic compounds; Organic Polymers; Polypeptides "Melanocortins; Pituitary; Amino Acids, Peptides, and Proteins; Adrenocortical Insufficiency; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Nerve Tissue Proteins; Anterior Pituitary Lobe Hormones and Analogues; Proteins; Hormones; Neuropeptides; Peptides; Pro-Opiomelanocortin; Adrenocorticotropic Hormone; Peptide Hormones; Pituitary Hormones, Anterior; Pituitary Hormones; Adrenals; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(O)=O 7516 46506301 D00284 PA164749052 DAP000284 Adrenocorticotropic_hormone_(medication) CHEMBL2103784 2890 DB01285 Corticotropin BE0000848 MC2R Q01718 ACTHR_HUMAN agonist 17636172; 16478774; 17584128; 17185906; 17223989 "Johnston H, King PJ, O'Shaughnessy PJ: Effects of ACTH and expression of the melanocortin-2 receptor in the neonatal mouse testis. Reproduction. 2007 Jun;133(6):1181-7.@@Carey LC, Su Y, Valego NK, Rose JC: Infusion of ACTH stimulates expression of adrenal ACTH receptor and steroidogenic acute regulatory protein mRNA in fetal sheep. Am J Physiol Endocrinol Metab. 2006 Aug;291(2):E214-20. Epub 2006 Feb 14.@@Hruby VJ, Cai M, Cain JP, Mayorov AV, Dedek MM, Trivedi D: Design, synthesis and biological evaluation of ligands selective for the melanocortin-3 receptor. Curr Top Med Chem. 2007;7(11):1107-19.@@Suri D, Alonso M, Weiss RE: A case of ACTH-independent bilateral macronodular adrenal hyperplasia and severe congestive heart failure. J Endocrinol Invest. 2006 Nov;29(10):940-6.@@Lin L, Hindmarsh PC, Metherell LA, Alzyoud M, Al-Ali M, Brain CE, Clark AJ, Dattani MT, Achermann JC: Severe loss-of-function mutations in the adrenocorticotropin receptor (ACTHR, MC2R) can be found in patients diagnosed with salt-losing adrenal hypoplasia. Clin Endocrinol (Oxf). 2007 Feb;66(2):205-10." Approved; Investigational; Vet_approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Melanocortins; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Nerve Tissue Proteins; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anterior Pituitary Lobe Hormones and Analogues; Cytochrome P-450 CYP3A4 Inducers; Proteins; Steroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Neuropeptides; Peptides; Cytochrome P-450 CYP3A4 Substrates; Pro-Opiomelanocortin; Immunosuppressive Agents; Corticosteroids; Adrenocorticotropic Hormone; Peptide Hormones; Cytochrome P-450 CYP3A Inducers; Pituitary and Hypothalamic Hormones and Analogues; Pituitary Hormones, Anterior; Pituitary Hormones; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists" 7527 46506307 D00146 PA449129 Adrenocorticotropic_hormone CHEMBL1201610 376 DB01285 Corticotropin BE0001026 CRH P06850 CRF_HUMAN agonist 16467980; 16472586; 16503922; 16523405; 16534240 "Hellman P, Linder F, Hennings J, Hessman O, Eriksson B, Orlefors H, Akerstrom G: Bilateral adrenalectomy for ectopic Cushing's syndrome-discussions on technique and indication. World J Surg. 2006 May;30(5):909-16.@@Dinan TG, Quigley EM, Ahmed SM, Scully P, O'Brien S, O'Mahony L, O'Mahony S, Shanahan F, Keeling PW: Hypothalamic-pituitary-gut axis dysregulation in irritable bowel syndrome: plasma cytokines as a potential biomarker? Gastroenterology. 2006 Feb;130(2):304-11.@@Zhao LF, Iwasaki Y, Oki Y, Tsugita M, Taguchi T, Nishiyama M, Takao T, Kambayashi M, Hashimoto K: Purinergic receptor ligands stimulate pro-opiomelanocortin gene expression in AtT-20 pituitary corticotroph cells. J Neuroendocrinol. 2006 Apr;18(4):273-8.@@Wagner U, Wahle M, Moritz F, Wagner U, Hantzschel H, Baerwald CG: Promoter polymorphisms regulating corticotrophin-releasing hormone transcription in vitro. Horm Metab Res. 2006 Feb;38(2):69-75.@@Matejec R, Uhlich H, Hotz C, Muhling J, Harbach HW, Bodeker RH, Hempelmann G, Teschemacher H: Corticotropin-releasing hormone reduces pressure pain sensitivity in humans without involvement of beta-endorphin(1-31), but does not reduce heat pain sensitivity. Neuroendocrinology. 2005;82(3-4):185-97. Epub 2006 Mar 13." Approved; Investigational; Vet_approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Melanocortins; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Nerve Tissue Proteins; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anterior Pituitary Lobe Hormones and Analogues; Cytochrome P-450 CYP3A4 Inducers; Proteins; Steroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Neuropeptides; Peptides; Cytochrome P-450 CYP3A4 Substrates; Pro-Opiomelanocortin; Immunosuppressive Agents; Corticosteroids; Adrenocorticotropic Hormone; Peptide Hormones; Cytochrome P-450 CYP3A Inducers; Pituitary and Hypothalamic Hormones and Analogues; Pituitary Hormones, Anterior; Pituitary Hormones; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists" 7527 46506307 D00146 PA449129 Adrenocorticotropic_hormone CHEMBL1201610 376 DB01288 Fenoterol BE0001012 ADRB3 P13945 ADRB3_HUMAN agonist 14730417 "Hoffmann C, Leitz MR, Oberdorf-Maass S, Lohse MJ, Klotz KN: Comparative pharmacology of human beta-adrenergic receptor subtypes--characterization of stably transfected receptors in CHO cells. Naunyn Schmiedebergs Arch Pharmacol. 2004 Feb;369(2):151-9. Epub 2004 Jan 17." Approved; Investigational Amphetamines and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines "Adrenergic beta-Agonists; Sympathomimetics, Labour Repressants; Selective Beta 2-adrenergic Agonists; Amines; Adrenergics for Systemic Use; Anti-Asthmatic Agents; Agents producing tachycardia; Benzene Derivatives; Tocolytic Agents; Autonomic Agents; Amino Alcohols; Phenols; Agents to Treat Airway Disease; Alcohols; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Adrenergic Agonists; Adrenergics, Inhalants; Metaproterenol; Sympathomimetics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Catechols; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethanolamines; Adrenergic Agents; Reproductive Control Agents" CC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O)=C1 2252 46509099 D04157 PA10079 DAP000946 Fenoterol CHEMBL32800 4333 DB01296 Glucosamine BE0005551 RELA Q04206 TF65_HUMAN inhibitor 16431966; 16822504 "Chen JT, Liang JB, Chou CL, Chien MW, Shyu RC, Chou PI, Lu DW: Glucosamine sulfate inhibits TNF-alpha and IFN-gamma-induced production of ICAM-1 in human retinal pigment epithelial cells in vitro. Invest Ophthalmol Vis Sci. 2006 Feb;47(2):664-72.@@Chen JT, Chen PL, Chang YH, Chien MW, Chen YH, Lu DW: Glucosamine sulfate inhibits leukocyte adhesion in response to cytokine stimulation of retinal pigment epithelial cells in vitro. Exp Eye Res. 2006 Nov;83(5):1052-62. doi: 10.1016/j.exer.2006.05.010. Epub 2006 Jul 5." Approved; Investigational Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Musculo-Skeletal System; Carbohydrates; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Amino Sugars; Hexosamines" N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O "G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Sialuria or French Type Sialuria; Tay-Sachs Disease; Salla Disease/Infantile Sialic Acid Storage Disease; Amino Sugar Metabolism" disease; metabolic 46506420 D04334 PA164747613 DAP001097 Glucosamine CHEMBL493287 4845 DB01303 Oxtriphylline BE0000436 PDE3A Q14432 PDE3A_HUMAN inhibitor 12887610; 15237094; 16651698 "Rickards KJ, Andrews MJ, Waterworth TH, Alexander GB, Cunningham FM: Differential effects of phosphodiesterase inhibitors on platelet activating factor (PAF)- and adenosine diphosphate (ADP)-induced equine platelet aggregation. J Vet Pharmacol Ther. 2003 Aug;26(4):277-82.@@Wu BN, Lin RJ, Lo YC, Shen KP, Wang CC, Lin YT, Chen IJ: KMUP-1, a xanthine derivative, induces relaxation of guinea-pig isolated trachea: the role of the epithelium, cyclic nucleotides and K+ channels. Br J Pharmacol. 2004 Aug;142(7):1105-14. Epub 2004 Jul 5.@@Kajikawa S, Kigami D, Nakayama H, Doi K: Changes in submaxillary gland gene expression in F344 rats by multiple dosing of theophylline. Exp Anim. 2006 Apr;55(2):143-6." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Quaternary Ammonium Compounds; Purines; Amines; Trimethyl Ammonium Compounds; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Autonomic Agents; Amino Alcohols; Cytochrome P-450 Substrates; Alcohols; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Heterocyclic Compounds, Fused-Ring; Onium Compounds; Purinones; Respiratory System Agents; Peripheral Nervous System Agents; Xanthine derivatives; Ethanolamines; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates" C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O 10278 46507376 D02017 PA164748137 DAP000868 Oxtriphylline CHEMBL1200434 20976 DB01303 Oxtriphylline BE0001133 PDE4A P27815 PDE4A_HUMAN inhibitor 12421478; 12547256; 12887610; 15253881; 15351234 "Wang K, Chen JQ, Chen Z, Chen JC: Inhibition of human phosphodiesterase 4A expressed in yeast cell GL62 by theophylline, rolipram, and acetamide-45. Acta Pharmacol Sin. 2002 Nov;23(11):1013-7.@@Haider S: Cyclic AMP level and phosphodiesterase activity during 17alpha,20beta-dihydroxy-4-pregnen-3-one induction and theophylline inhibition of oocyte maturation in the catfish, Clarias batrachus. Comp Biochem Physiol A Mol Integr Physiol. 2003 Feb;134(2):267-74.@@Rickards KJ, Andrews MJ, Waterworth TH, Alexander GB, Cunningham FM: Differential effects of phosphodiesterase inhibitors on platelet activating factor (PAF)- and adenosine diphosphate (ADP)-induced equine platelet aggregation. J Vet Pharmacol Ther. 2003 Aug;26(4):277-82.@@Usta C, Sadan G, Tuncel B: The effect of the indomethacin on phosphodiesterase inhibitors mediated responses in isolated trachea preparations. Prostaglandins Leukot Essent Fatty Acids. 2004 Sep;71(3):137-41.@@Lee JM, Zemans RL, Hejazi M, Chin BB, Ladenson PW, Caturegli P: Modulation of thyroidal radioiodine uptake by theophylline. Exp Mol Pathol. 2004 Oct;77(2):116-20." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Quaternary Ammonium Compounds; Purines; Amines; Trimethyl Ammonium Compounds; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Autonomic Agents; Amino Alcohols; Cytochrome P-450 Substrates; Alcohols; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Heterocyclic Compounds, Fused-Ring; Onium Compounds; Purinones; Respiratory System Agents; Peripheral Nervous System Agents; Xanthine derivatives; Ethanolamines; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates" C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O 10278 46507376 D02017 PA164748137 DAP000868 Oxtriphylline CHEMBL1200434 20976 DB01303 Oxtriphylline BE0000924 ADORA2A P29274 AA2AR_HUMAN antagonist 16357952; 3588607 "Pechlivanova DM, Georgiev VP: Effects of single and long-term theophylline treatment on the threshold of mechanical nociception: contribution of adenosine A1 and alpha2-adrenoceptors. Methods Find Exp Clin Pharmacol. 2005 Nov;27(9):659-64.@@Daly JW, Jacobson KA, Ukena D: Adenosine receptors: development of selective agonists and antagonists. Prog Clin Biol Res. 1987;230:41-63." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Quaternary Ammonium Compounds; Purines; Amines; Trimethyl Ammonium Compounds; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Autonomic Agents; Amino Alcohols; Cytochrome P-450 Substrates; Alcohols; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Heterocyclic Compounds, Fused-Ring; Onium Compounds; Purinones; Respiratory System Agents; Peripheral Nervous System Agents; Xanthine derivatives; Ethanolamines; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates" C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O 10278 46507376 D02017 PA164748137 DAP000868 Oxtriphylline CHEMBL1200434 20976 DB01303 Oxtriphylline BE0002366 HDAC2 Q92769 HDAC2_HUMAN activator 15337792; 12070353 "Cosio BG, Tsaprouni L, Ito K, Jazrawi E, Adcock IM, Barnes PJ: Theophylline restores histone deacetylase activity and steroid responses in COPD macrophages. J Exp Med. 2004 Sep 6;200(5):689-95. Epub 2004 Aug 30.@@Ito K, Lim S, Caramori G, Cosio B, Chung KF, Adcock IM, Barnes PJ: A molecular mechanism of action of theophylline: Induction of histone deacetylase activity to decrease inflammatory gene expression. Proc Natl Acad Sci U S A. 2002 Jun 25;99(13):8921-6. Epub 2002 Jun 17." Approved Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Quaternary Ammonium Compounds; Purines; Amines; Trimethyl Ammonium Compounds; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Autonomic Agents; Amino Alcohols; Cytochrome P-450 Substrates; Alcohols; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Heterocyclic Compounds, Fused-Ring; Onium Compounds; Purinones; Respiratory System Agents; Peripheral Nervous System Agents; Xanthine derivatives; Ethanolamines; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates" C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O 10278 46507376 D02017 PA164748137 DAP000868 Oxtriphylline CHEMBL1200434 20976 DB01306 Insulin aspart BE0000033 INSR P06213 INSR_HUMAN agonist 17026485; 27512793 "Zib I, Raskin P: Novel insulin analogues and its mitogenic potential. Diabetes Obes Metab. 2006 Nov;8(6):611-20.@@De Meyts P: The Insulin Receptor and Its Signal Transduction Network ." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; Insulin Analog; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Insulins and Analogues for Injection, Fast-Acting; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 20190 46507309 D04475 PA164784029 DAP001092 Insulin_aspart CHEMBL1201496 51428 DB01306 Insulin aspart BE0000858 IGF1R P08069 IGF1R_HUMAN activator 22420005; 20730455 "Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct.@@Vigneri R, Squatrito S, Sciacca L: Insulin and its analogs: actions via insulin and IGF receptors. Acta Diabetol. 2010 Dec;47(4):271-8. doi: 10.1007/s00592-010-0215-3. Epub 2010 Aug 21." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; Insulin Analog; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Insulins and Analogues for Injection, Fast-Acting; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 20190 46507309 D04475 PA164784029 DAP001092 Insulin_aspart CHEMBL1201496 51428 DB01307 Insulin detemir BE0000033 INSR P06213 INSR_HUMAN agonist 16570163; 10866053; 20590743; 18585815; 11752352 "Hennige AM, Sartorius T, Tschritter O, Preissl H, Fritsche A, Ruth P, Haring HU: Tissue selectivity of insulin detemir action in vivo. Diabetologia. 2006 Jun;49(6):1274-82. Epub 2006 Mar 29.@@Kurtzhals P, Schaffer L, Sorensen A, Kristensen C, Jonassen I, Schmid C, Trub T: Correlations of receptor binding and metabolic and mitogenic potencies of insulin analogs designed for clinical use. Diabetes. 2000 Jun;49(6):999-1005.@@Sorensen AR, Stidsen CE, Ribel U, Nishimura E, Sturis J, Jonassen I, Bouman SD, Kurtzhals P, Brand CL: Insulin detemir is a fully efficacious, low affinity agonist at the insulin receptor. Diabetes Obes Metab. 2010 Aug;12(8):665-73. doi: 10.1111/j.1463-1326.2010.01206.x.@@Wada T, Azegami M, Sugiyama M, Tsuneki H, Sasaoka T: Characteristics of signalling properties mediated by long-acting insulin analogue glargine and detemir in target cells of insulin. Diabetes Res Clin Pract. 2008 Sep;81(3):269-77. doi: 10.1016/j.diabres.2008.05.007. Epub 2008 Jun 27.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; Insulin Analog; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Long-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 13104 46508877 D04539 PA164746470 DAP001090 Insulin_detemir CHEMBL2104391 139825 DB01307 Insulin detemir BE0000858 IGF1R P08069 IGF1R_HUMAN activator 22420005 "Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; Insulin Analog; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Long-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 13104 46508877 D04539 PA164746470 DAP001090 Insulin_detemir CHEMBL2104391 139825 DB01309 Insulin glulisine BE0000033 INSR P06213 INSR_HUMAN agonist 20424816; 27512793 "Sciacca L, Cassarino MF, Genua M, Pandini G, Le Moli R, Squatrito S, Vigneri R: Insulin analogues differently activate insulin receptor isoforms and post-receptor signalling. Diabetologia. 2010 Aug;53(8):1743-53. doi: 10.1007/s00125-010-1760-6. Epub 2010 Apr 28.@@De Meyts P: The Insulin Receptor and Its Signal Transduction Network ." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Insulin Analog; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Cytochrome P-450 Enzyme Inducers; Proteins; Insulins and Analogues for Injection, Fast-Acting; Alimentary Tract and Metabolism; Hormones; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Peptides; Pancreatic Hormones; Insulin; Drugs Used in Diabetes; Peptide Hormones; Hypoglycemia-Associated Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" 18938 46504450 D04540 PA164760859 DAP001093 Insulin_glulisine CHEMBL1201613 400008 DB01309 Insulin glulisine BE0000858 IGF1R P08069 IGF1R_HUMAN activator 22420005 "Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Insulin Analog; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Cytochrome P-450 Enzyme Inducers; Proteins; Insulins and Analogues for Injection, Fast-Acting; Alimentary Tract and Metabolism; Hormones; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Peptides; Pancreatic Hormones; Insulin; Drugs Used in Diabetes; Peptide Hormones; Hypoglycemia-Associated Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" 18938 46504450 D04540 PA164760859 DAP001093 Insulin_glulisine CHEMBL1201613 400008 DB01324 Polythiazide BE0000419 SLC12A3 P55017 S12A3_HUMAN inhibitor 11752352; 10894798; 12217863; 19474192 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Monroy A, Plata C, Hebert SC, Gamba G: Characterization of the thiazide-sensitive Na(+)-Cl(-) cotransporter: a new model for ions and diuretics interaction. Am J Physiol Renal Physiol. 2000 Jul;279(1):F161-9.@@Frindt G, McNair T, Dahlmann A, Jacobs-Palmer E, Palmer LG: Epithelial Na channels and short-term renal response to salt deprivation. Am J Physiol Renal Physiol. 2002 Oct;283(4):F717-26.@@Gamba G: The thiazide-sensitive Na+-Cl- cotransporter: molecular biology, functional properties, and regulation by WNKs. Am J Physiol Renal Physiol. 2009 Oct;297(4):F838-48. doi: 10.1152/ajprenal.00159.2009. Epub 2009 May 27." Approved "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines "OAT3/SLC22A8 Substrates; Antihypertensive Agents; Hyperglycemia-Associated Agents; Amides; Sodium Chloride Symporter Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides" CN1C(CSCC(F)(F)F)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O Polythiazide Action Pathway drug_action 46508633 D00657 PA164748763 DAP000751 Polythiazide CHEMBL1587 8565 DB01325 Quinethazone BE0000281 SLC12A2 P55011 S12A2_HUMAN inhibitor 20528637; 19474192; 12538756; 19636250 "Duarte JD, Cooper-DeHoff RM: Mechanisms for blood pressure lowering and metabolic effects of thiazide and thiazide-like diuretics. Expert Rev Cardiovasc Ther. 2010 Jun;8(6):793-802. doi: 10.1586/erc.10.27.@@Gamba G: The thiazide-sensitive Na+-Cl- cotransporter: molecular biology, functional properties, and regulation by WNKs. Am J Physiol Renal Physiol. 2009 Oct;297(4):F838-48. doi: 10.1152/ajprenal.00159.2009. Epub 2009 May 27.@@Ellison DH: The thiazide-sensitive na-cl cotransporter and human disease: reemergence of an old player. J Am Soc Nephrol. 2003 Feb;14(2):538-40.@@Ko B, Hoover RS: Molecular physiology of the thiazide-sensitive sodium-chloride cotransporter. Curr Opin Nephrol Hypertens. 2009 Sep;18(5):421-7. doi: 10.1097/MNH.0b013e32832f2fcb." Approved Quinazolines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Natriuretic Agents; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfonamides; Diuretics; Low-Ceiling Diuretics, Excl. Thiazides; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Amides; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators" CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O Quinethazone Action Pathway drug_action 46507280 D00461 PA164760863 DAP000955 Quinethazone CHEMBL1532 59743 DB01325 Quinethazone BE0000419 SLC12A3 P55017 S12A3_HUMAN inhibitor 20528637; 19474192; 12538756; 19636250 "Duarte JD, Cooper-DeHoff RM: Mechanisms for blood pressure lowering and metabolic effects of thiazide and thiazide-like diuretics. Expert Rev Cardiovasc Ther. 2010 Jun;8(6):793-802. doi: 10.1586/erc.10.27.@@Gamba G: The thiazide-sensitive Na+-Cl- cotransporter: molecular biology, functional properties, and regulation by WNKs. Am J Physiol Renal Physiol. 2009 Oct;297(4):F838-48. doi: 10.1152/ajprenal.00159.2009. Epub 2009 May 27.@@Ellison DH: The thiazide-sensitive na-cl cotransporter and human disease: reemergence of an old player. J Am Soc Nephrol. 2003 Feb;14(2):538-40.@@Ko B, Hoover RS: Molecular physiology of the thiazide-sensitive sodium-chloride cotransporter. Curr Opin Nephrol Hypertens. 2009 Sep;18(5):421-7. doi: 10.1097/MNH.0b013e32832f2fcb." Approved Quinazolines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Natriuretic Agents; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfonamides; Diuretics; Low-Ceiling Diuretics, Excl. Thiazides; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Amides; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators" CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O Quinethazone Action Pathway drug_action 46507280 D00461 PA164760863 DAP000955 Quinethazone CHEMBL1532 59743 DB01325 Quinethazone BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 18600270; 18374572; 18336309 "Temperini C, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Sulfonamide diuretics revisited--old leads for new applications? Org Biomol Chem. 2008 Jul 21;6(14):2499-506. doi: 10.1039/b800767e. Epub 2008 May 29.@@Temperini C, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Interaction of indapamide and related diuretics with 12 mammalian isozymes and X-ray crystallographic studies for the indapamide-isozyme II adduct. Bioorg Med Chem Lett. 2008 Apr 15;18(8):2567-73. doi: 10.1016/j.bmcl.2008.03.051. Epub 2008 Mar 20.@@Supuran CT: Diuretics: from classical carbonic anhydrase inhibitors to novel applications of the sulfonamides. Curr Pharm Des. 2008;14(7):641-8." Approved Quinazolines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Natriuretic Agents; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfonamides; Diuretics; Low-Ceiling Diuretics, Excl. Thiazides; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Amides; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators" CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O Quinethazone Action Pathway drug_action 46507280 D00461 PA164760863 DAP000955 Quinethazone CHEMBL1532 59743 DB01327 Cefazolin BE0000930 PON1 P27169 PON1_HUMAN inhibitor 16600468 "Sinan S, Kockar F, Arslan O: Novel purification strategy for human PON1 and inhibition of the activity by cephalosporin and aminoglikozide derived antibiotics. Biochimie. 2006 May;88(5):565-74. Epub 2006 Jan 19." Approved Cephalosporins Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams "beta-Lactams; Thiazines; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Heterocyclic Compounds, Fused-Ring; Lactams; OAT3/SLC22A8 Substrates; Cephalosporins; Anti-Bacterial Agents; OAT1/SLC22A6 Substrates; Antibacterials for Systemic Use; Nephrotoxic agents; Amides; First-Generation Cephalosporins; OAT1/SLC22A6 inhibitors; Sulfur Compounds; Antiinfectives for Systemic Use" [H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)CN1C=NN=N1)C(O)=O 8366 46506123 D02299 PA448839 DAP000449 Cefazolin CHEMBL1435 2180 DB01327 Cefazolin BE0003486 IL15 P40933 IL15_HUMAN inhibitor 28535470 "Zyzynska-Granica B, Trzaskowski B, Niewieczerzal S, Filipek S, Zegrocka-Stendel O, Dutkiewicz M, Krzeczynski P, Kowalewska M, Koziak K: Pharmacophore guided discovery of small-molecule interleukin 15 inhibitors. Eur J Med Chem. 2017 Aug 18;136:543-547. doi: 10.1016/j.ejmech.2017.05.034. Epub 2017 May 12." Approved Cephalosporins Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams "beta-Lactams; Thiazines; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Heterocyclic Compounds, Fused-Ring; Lactams; OAT3/SLC22A8 Substrates; Cephalosporins; Anti-Bacterial Agents; OAT1/SLC22A6 Substrates; Antibacterials for Systemic Use; Nephrotoxic agents; Amides; First-Generation Cephalosporins; OAT1/SLC22A6 inhibitors; Sulfur Compounds; Antiinfectives for Systemic Use" [H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)CN1C=NN=N1)C(O)=O 8366 46506123 D02299 PA448839 DAP000449 Cefazolin CHEMBL1435 2180 DB01336 Metocurine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 7437219 "Son SL, Waud DR: Effects of non-depolarizing neuromuscular blocking agents on the cardiac vagus nerve in the guineapig. Br J Anaesth. 1980 Oct;52(10):981-7." Approved Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Curare Alkaloids; Quaternary Ammonium Compounds; Nicotinic Antagonists; Amines; Neuromuscular-Blocking Agents (Nondepolarizing); Agents producing tachycardia; Neuromuscular Blocking Agents; Central Nervous System Depressants; Muscle Relaxants; Alkaloids; Tetrahydroisoquinolines; Anticholinergic Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Onium Compounds; Isoquinolines; Peripheral Nervous System Agents; Benzylisoquinolines; Muscarinic Antagonists; Neuromuscular Agents; Muscle Relaxants, Peripherally Acting Agents" [H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3 46508044 PA164749507 DAP000352 Dimethyltubocurarinium CHEMBL1259 29950 DB01337 Pancuronium BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 20400785; 17588565; 8572329 "Milchert M, Spassov A, Meissner K, Nedeljkov V, Lehmann C, Wendt M, Loster BW, Mazurkiewicz-Janik M, Gedrange T, Pavlovic D: Skeletal muscle relaxants inhibit rat tracheal smooth muscle tone in vitro. J Physiol Pharmacol. 2009 Dec;60 Suppl 8:5-11.@@Cembala TM, Forde SC, Appadu BL, Lambert DG: Allosteric interaction of the neuromuscular blockers vecuronium and pancuronium with recombinant human muscarinic M2 receptors. Eur J Pharmacol. 2007 Aug 13;569(1-2):37-40. Epub 2007 May 22.@@Okanlami OA, Fryer AD, Hirshman C: Interaction of nondepolarizing muscle relaxants with M2 and M3 muscarinic receptors in guinea pig lung and heart. Anesthesiology. 1996 Jan;84(1):155-61." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Nicotinic Antagonists; Neuromuscular-Blocking Agents (Nondepolarizing); Agents producing tachycardia; Cholinergic Agents; Neuromuscular Blocking Agents; OCT1 substrates; Neuromuscular Nondepolarizing Blockade; Central Nervous System Depressants; Muscle Relaxants; Steroids; Fused-Ring Compounds; Anticholinergic Agents; Musculo-Skeletal System; Androstanols; Androstanes; Peripheral Nervous System Agents; Muscarinic Antagonists; Neuromuscular Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; OCT1 inhibitors; Muscle Relaxants, Peripherally Acting Agents" [H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1 2497 46506118 PA450771 DAP000123 Pancuronium CHEMBL185073 7883 DB01337 Pancuronium BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 20400785; 8572329 "Milchert M, Spassov A, Meissner K, Nedeljkov V, Lehmann C, Wendt M, Loster BW, Mazurkiewicz-Janik M, Gedrange T, Pavlovic D: Skeletal muscle relaxants inhibit rat tracheal smooth muscle tone in vitro. J Physiol Pharmacol. 2009 Dec;60 Suppl 8:5-11.@@Okanlami OA, Fryer AD, Hirshman C: Interaction of nondepolarizing muscle relaxants with M2 and M3 muscarinic receptors in guinea pig lung and heart. Anesthesiology. 1996 Jan;84(1):155-61." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Nicotinic Antagonists; Neuromuscular-Blocking Agents (Nondepolarizing); Agents producing tachycardia; Cholinergic Agents; Neuromuscular Blocking Agents; OCT1 substrates; Neuromuscular Nondepolarizing Blockade; Central Nervous System Depressants; Muscle Relaxants; Steroids; Fused-Ring Compounds; Anticholinergic Agents; Musculo-Skeletal System; Androstanols; Androstanes; Peripheral Nervous System Agents; Muscarinic Antagonists; Neuromuscular Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; OCT1 inhibitors; Muscle Relaxants, Peripherally Acting Agents" [H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1 2497 46506118 PA450771 DAP000123 Pancuronium CHEMBL185073 7883 DB01338 Pipecuronium BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 12426786; 10598601; 10592235 "Karpati E, Biro K, Kukorelli T: [Investigation of neuromuscular blocking agents at Richter Ltd]. Acta Pharm Hung. 2002;72(1):37-48.@@Zappi L, Song P, Nicosia S, Nicosia F, Rehder K: Do pipecuronium and rocuronium affect human bronchial smooth muscle? Anesthesiology. 1999 Dec;91(6):1616-21.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Anticholinergic Agents; Muscarinic Antagonists; Neuromuscular Agents; Musculo-Skeletal System; Nicotinic Antagonists; Piperazines; Central Nervous System Depressants; Muscle Relaxants; Neuromuscular-Blocking Agents (Nondepolarizing); Cholinesterase Inhibitors; Neurotransmitter Agents; Muscle Relaxants, Peripherally Acting Agents; Agents producing tachycardia; Cholinergic Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents" [H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1 46508493 PA164764567 DAP000353 Pipecuronium_bromide CHEMBL1201206 33742 DB01338 Pipecuronium BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 12426786 "Karpati E, Biro K, Kukorelli T: [Investigation of neuromuscular blocking agents at Richter Ltd]. Acta Pharm Hung. 2002;72(1):37-48." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Anticholinergic Agents; Muscarinic Antagonists; Neuromuscular Agents; Musculo-Skeletal System; Nicotinic Antagonists; Piperazines; Central Nervous System Depressants; Muscle Relaxants; Neuromuscular-Blocking Agents (Nondepolarizing); Cholinesterase Inhibitors; Neurotransmitter Agents; Muscle Relaxants, Peripherally Acting Agents; Agents producing tachycardia; Cholinergic Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents" [H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1 46508493 PA164764567 DAP000353 Pipecuronium_bromide CHEMBL1201206 33742 DB01341 Dihydroquinidine barbiturate BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental 46507930 DB01345 Potassium cation BE0000732 ATP1A1 P05023 AT1A1_HUMAN 17334838; 17347782; 17366541; 17369284; 17444965 "Silva E, Gomes P, Soares-da-Silva P: Overexpression of Na(+)/K (+)-ATPase parallels the increase in sodium transport and potassium recycling in an in vitro model of proximal tubule cellular ageing. J Membr Biol. 2006;212(3):163-75. Epub 2007 Feb 28.@@Li C, Geering K, Horisberger JD: The third sodium binding site of Na,K-ATPase is functionally linked to acidic pH-activated inward current. J Membr Biol. 2006;213(1):1-9. Epub 2007 Mar 8.@@Stanely Mainzen Prince P, Karthick M: Preventive effect of rutin on lipids, lipoproteins, and ATPases in normal and isoproterenol-induced myocardial infarction in rats. J Biochem Mol Toxicol. 2007;21(1):1-6.@@Simon WA, Herrmann M, Klein T, Shin JM, Huber R, Senn-Bilfinger J, Postius S: Soraprazan: setting new standards in inhibition of gastric acid secretion. J Pharmacol Exp Ther. 2007 Jun;321(3):866-74. Epub 2007 Mar 16.@@Iannello S, Milazzo P, Belfiore F: Animal and human tissue Na,K-ATPase in normal and insulin-resistant states: regulation, behaviour and interpretative hypothesis on NEFA effects. Obes Rev. 2007 May;8(3):231-51." Approved; Investigational Inhibition Large Intestine Fluid/Electrolyte Absorption; Minerals; Potassium Salt; Increased Large Intestinal Motility; Replacement Preparations; Agents causing hyperkalemia; Diuretics; Drugs that are Mainly Renally Excreted; Osmotic Activity [K+] Lidocaine (Antiarrhythmic) Action Pathway; Esomeprazole Action Pathway; Metolazone Action Pathway; Omeprazole Action Pathway; Nimodipine Action Pathway; Benzocaine Action Pathway; Lansoprazole Action Pathway; Famotidine Action Pathway; Alprenolol Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Pantoprazole Action Pathway; Pirenzepine Action Pathway; Rabeprazole Action Pathway; Glycolysis; Hartnup Disorder; Xanthine Dehydrogenase Deficiency (Xanthinuria); Adenylosuccinate Lyase Deficiency; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Torsemide Action Pathway; Ranitidine Action Pathway; Hydrochlorothiazide Action Pathway; Glycine N-Methyltransferase Deficiency; Hypermethioninemia; Triamterene Action Pathway; Lysinuric Protein Intolerance; Glucose Transporter Defect (SGLT2); Methyclothiazide Action Pathway; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Nisoldipine Action Pathway; Furosemide Action Pathway disease; metabolic; drug_action 8743 46506517 D08403 PA451047 Potassium 1318915 DB01346 Quinidine barbiturate BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 14579514; 10209232; 10487207; 11264449; 11752352; 15169831 "Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Stobbs SH, Ohran AJ, Lassen MB, Allison DW, Brown JE, Steffensen SC: Ethanol suppression of ventral tegmental area GABA neuron electrical transmission involves N-methyl-D-aspartate receptors. J Pharmacol Exp Ther. 2004 Oct;311(1):282-9. Epub 2004 May 28." Approved Cinchona alkaloids Organic compounds; Alkaloids and derivatives; Cinchona alkaloids CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C 46504552 PA164783957 DAP000915 DB01346 Quinidine barbiturate BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 11264449; 10209232; 15169831 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Stobbs SH, Ohran AJ, Lassen MB, Allison DW, Brown JE, Steffensen SC: Ethanol suppression of ventral tegmental area GABA neuron electrical transmission involves N-methyl-D-aspartate receptors. J Pharmacol Exp Ther. 2004 Oct;311(1):282-9. Epub 2004 May 28." Approved Cinchona alkaloids Organic compounds; Alkaloids and derivatives; Cinchona alkaloids CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C 46504552 PA164783957 DAP000915 DB01346 Quinidine barbiturate BE0000154 KCNK1 O00180 KCNK1_HUMAN inhibitor 8605869; 9003761 "Lesage F, Guillemare E, Fink M, Duprat F, Lazdunski M, Romey G, Barhanin J: TWIK-1, a ubiquitous human weakly inward rectifying K+ channel with a novel structure. EMBO J. 1996 Mar 1;15(5):1004-11.@@Fink M, Duprat F, Lesage F, Reyes R, Romey G, Heurteaux C, Lazdunski M: Cloning, functional expression and brain localization of a novel unconventional outward rectifier K+ channel. EMBO J. 1996 Dec 16;15(24):6854-62." Approved Cinchona alkaloids Organic compounds; Alkaloids and derivatives; Cinchona alkaloids CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C 46504552 PA164783957 DAP000915 DB01346 Quinidine barbiturate BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207; 15169831 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Stobbs SH, Ohran AJ, Lassen MB, Allison DW, Brown JE, Steffensen SC: Ethanol suppression of ventral tegmental area GABA neuron electrical transmission involves N-methyl-D-aspartate receptors. J Pharmacol Exp Ther. 2004 Oct;311(1):282-9. Epub 2004 May 28." Approved Cinchona alkaloids Organic compounds; Alkaloids and derivatives; Cinchona alkaloids CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C 46504552 PA164783957 DAP000915 DB01351 Amobarbital BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 14579514; 10209232; 10487207; 11264449; 11752352 "Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Illicit Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants" CCC1(CCC(C)C)C(=O)NC(=O)NC1=O 8253 46508165 D00555 PA448401 DAP000686 Amobarbital CHEMBL267894 719 DB01351 Amobarbital BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 11264449; 10209232 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217." Approved; Illicit Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants" CCC1(CCC(C)C)C(=O)NC(=O)NC1=O 8253 46508165 D00555 PA448401 DAP000686 Amobarbital CHEMBL267894 719 DB01351 Amobarbital BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 11264449; 16248797; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants" CCC1(CCC(C)C)C(=O)NC(=O)NC1=O 8253 46508165 D00555 PA448401 DAP000686 Amobarbital CHEMBL267894 719 DB01351 Amobarbital BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants" CCC1(CCC(C)C)C(=O)NC(=O)NC1=O 8253 46508165 D00555 PA448401 DAP000686 Amobarbital CHEMBL267894 719 DB01351 Amobarbital BE0000826 GRIK2 Q13002 GRIK2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants" CCC1(CCC(C)C)C(=O)NC(=O)NC1=O 8253 46508165 D00555 PA448401 DAP000686 Amobarbital CHEMBL267894 719 DB01352 Aprobarbital BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 14579514; 10209232; 11264449; 10487207 "Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Experimental; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Psycholeptics" CC(C)C1(CC=C)C(=O)NC(=O)NC1=O 46504558 D00698 PA164754809 DAP001034 Aprobarbital CHEMBL7863 17381 DB01352 Aprobarbital BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 11264449; 10209232 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217." Experimental; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Psycholeptics" CC(C)C1(CC=C)C(=O)NC(=O)NC1=O 46504558 D00698 PA164754809 DAP001034 Aprobarbital CHEMBL7863 17381 DB01352 Aprobarbital BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 11264449; 16248797; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Experimental; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Psycholeptics" CC(C)C1(CC=C)C(=O)NC(=O)NC1=O 46504558 D00698 PA164754809 DAP001034 Aprobarbital CHEMBL7863 17381 DB01352 Aprobarbital BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Experimental; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Psycholeptics" CC(C)C1(CC=C)C(=O)NC(=O)NC1=O 46504558 D00698 PA164754809 DAP001034 Aprobarbital CHEMBL7863 17381 DB01352 Aprobarbital BE0000826 GRIK2 Q13002 GRIK2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Experimental; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Psycholeptics" CC(C)C1(CC=C)C(=O)NC(=O)NC1=O 46504558 D00698 PA164754809 DAP001034 Aprobarbital CHEMBL7863 17381 DB01353 Butobarbital BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 11264449; 10209232 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Psycholeptics" CCCCC1(CC)C(=O)NC(=O)NC1=O 46508397 D02618 PA164748035 DAP000687 Butobarbital CHEMBL404422 19874 DB01353 Butobarbital BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 14579514; 10209232; 11264449; 10487207; 17139284; 17016423; 11752352 "Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Psycholeptics" CCCCC1(CC)C(=O)NC(=O)NC1=O 46508397 D02618 PA164748035 DAP000687 Butobarbital CHEMBL404422 19874 DB01353 Butobarbital BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 11264449; 16248797; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Psycholeptics" CCCCC1(CC)C(=O)NC(=O)NC1=O 46508397 D02618 PA164748035 DAP000687 Butobarbital CHEMBL404422 19874 DB01353 Butobarbital BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Psycholeptics" CCCCC1(CC)C(=O)NC(=O)NC1=O 46508397 D02618 PA164748035 DAP000687 Butobarbital CHEMBL404422 19874 DB01353 Butobarbital BE0000826 GRIK2 Q13002 GRIK2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Approved; Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Psycholeptics" CCCCC1(CC)C(=O)NC(=O)NC1=O 46508397 D02618 PA164748035 DAP000687 Butobarbital CHEMBL404422 19874 DB01354 Heptabarbital BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 14579514; 10209232; 11264449; 10487207 "Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Experimental Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics" CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1 46508321 PA164783812 DAP001032 Heptabarbital CHEMBL468837 DB01354 Heptabarbital BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 11264449; 10209232 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217." Experimental Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics" CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1 46508321 PA164783812 DAP001032 Heptabarbital CHEMBL468837 DB01354 Heptabarbital BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 11264449; 16248797; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Experimental Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics" CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1 46508321 PA164783812 DAP001032 Heptabarbital CHEMBL468837 DB01354 Heptabarbital BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Experimental Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics" CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1 46508321 PA164783812 DAP001032 Heptabarbital CHEMBL468837 DB01354 Heptabarbital BE0000826 GRIK2 Q13002 GRIK2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Experimental Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics" CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1 46508321 PA164783812 DAP001032 Heptabarbital CHEMBL468837 DB01355 Hexobarbital BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 11264449; 10209232 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217." Experimental Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Anesthetics, General; Nicotinic Antagonists; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants" CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1 46508777 D01071 PA449875 DAP000688 Hexobarbital CHEMBL7728 5302 DB01355 Hexobarbital BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 14579514; 10209232; 11264449; 10487207; 10360871; 11752352; 17139284; 17016423 "Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Tomlin SL, Jenkins A, Lieb WR, Franks NP: Preparation of barbiturate optical isomers and their effects on GABA(A) receptors. Anesthesiology. 1999 Jun;90(6):1714-22.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Anesthetics, General; Nicotinic Antagonists; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants" CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1 46508777 D01071 PA449875 DAP000688 Hexobarbital CHEMBL7728 5302 DB01355 Hexobarbital BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 11264449; 16248797; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Experimental Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Anesthetics, General; Nicotinic Antagonists; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants" CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1 46508777 D01071 PA449875 DAP000688 Hexobarbital CHEMBL7728 5302 DB01355 Hexobarbital BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Experimental Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Anesthetics, General; Nicotinic Antagonists; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants" CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1 46508777 D01071 PA449875 DAP000688 Hexobarbital CHEMBL7728 5302 DB01355 Hexobarbital BE0000826 GRIK2 Q13002 GRIK2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Experimental Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Anesthetics, General; Nicotinic Antagonists; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants" CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1 46508777 D01071 PA449875 DAP000688 Hexobarbital CHEMBL7728 5302 DB01356 Lithium cation BE0001065 GSK3B P49841 GSK3B_HUMAN inhibitor 16733521; 17628506; 19754466 "Borsotto M, Cavarec L, Bouillot M, Romey G, Macciardi F, Delaye A, Nasroune M, Bastucci M, Sambucy JL, Luan JJ, Charpagne A, Jouet V, Leger R, Lazdunski M, Cohen D, Chumakov I: PP2A-Bgamma subunit and KCNQ2 K+ channels in bipolar disorder. Pharmacogenomics J. 2007 Apr;7(2):123-32. Epub 2006 May 30.@@Adli M, Hollinde DL, Stamm T, Wiethoff K, Tsahuridu M, Kirchheiner J, Heinz A, Bauer M: Response to lithium augmentation in depression is associated with the glycogen synthase kinase 3-beta -50T/C single nucleotide polymorphism. Biol Psychiatry. 2007 Dec 1;62(11):1295-302. Epub 2007 Jul 12.@@O'Brien WT, Klein PS: Validating GSK3 as an in vivo target of lithium action. Biochem Soc Trans. 2009 Oct;37(Pt 5):1133-8. doi: 10.1042/BST0371133." Experimental Homogeneous alkali metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous alkali metal compounds Antipsychotic Agents; Antimanic Agents; Psychotropic Drugs; QTc Prolonging Agents; Serotonin Agents; Central Nervous System Depressants; Highest Risk QTc-Prolonging Agents; Nephrotoxic agents; Lithium Compounds; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Mood Stabilizer; Antidepressive Agents; Neurotoxic agents; Serotonin Modulators [Li+] 1399 46505392 PA450243 DNC000879 Lithium CHEMBL1234004 1546265 DB01356 Lithium cation BE0001152 IMPA1 P29218 IMPA1_HUMAN inhibitor 16874097; 16965760; 17068342; 17158747; 17251911; 20027624 "Sarkar S, Rubinsztein DC: Inositol and IP3 levels regulate autophagy: biology and therapeutic speculations. Autophagy. 2006 Apr-Jun;2(2):132-4. Epub 2006 Apr 6.@@Trinquet E, Fink M, Bazin H, Grillet F, Maurin F, Bourrier E, Ansanay H, Leroy C, Michaud A, Durroux T, Maurel D, Malhaire F, Goudet C, Pin JP, Naval M, Hernout O, Chretien F, Chapleur Y, Mathis G: D-myo-inositol 1-phosphate as a surrogate of D-myo-inositol 1,4,5-tris phosphate to monitor G protein-coupled receptor activation. Anal Biochem. 2006 Nov 1;358(1):126-35. Epub 2006 Aug 30.@@Ohnishi T, Ohba H, Seo KC, Im J, Sato Y, Iwayama Y, Furuichi T, Chung SK, Yoshikawa T: Spatial expression patterns and biochemical properties distinguish a second myo-inositol monophosphatase IMPA2 from IMPA1. J Biol Chem. 2007 Jan 5;282(1):637-46. Epub 2006 Oct 26.@@Tanizawa Y, Kuhara A, Inada H, Kodama E, Mizuno T, Mori I: Inositol monophosphatase regulates localization of synaptic components and behavior in the mature nervous system of C. elegans. Genes Dev. 2006 Dec 1;20(23):3296-310.@@Ohnishi T, Yamada K, Ohba H, Iwayama Y, Toyota T, Hattori E, Inada T, Kunugi H, Tatsumi M, Ozaki N, Iwata N, Sakamoto K, Iijima Y, Iwata Y, Tsuchiya KJ, Sugihara G, Nanko S, Osumi N, Detera-Wadleigh SD, Kato T, Yoshikawa T: A promoter haplotype of the inositol monophosphatase 2 gene (IMPA2) at 18p11.2 confers a possible risk for bipolar disorder by enhancing transcription. Neuropsychopharmacology. 2007 Aug;32(8):1727-37. Epub 2007 Jan 24.@@Li Z, Stieglitz KA, Shrout AL, Wei Y, Weis RM, Stec B, Roberts MF: Mobile loop mutations in an archaeal inositol monophosphatase: modulating three-metal ion assisted catalysis and lithium inhibition. Protein Sci. 2010 Feb;19(2):309-18. doi: 10.1002/pro.315." Experimental Homogeneous alkali metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous alkali metal compounds Antipsychotic Agents; Antimanic Agents; Psychotropic Drugs; QTc Prolonging Agents; Serotonin Agents; Central Nervous System Depressants; Highest Risk QTc-Prolonging Agents; Nephrotoxic agents; Lithium Compounds; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Mood Stabilizer; Antidepressive Agents; Neurotoxic agents; Serotonin Modulators [Li+] 1399 46505392 PA450243 DNC000879 Lithium CHEMBL1234004 1546265 DB01356 Lithium cation BE0000831 GRIA3 P42263 GRIA3_HUMAN potentiator 10626836 "Karkanias NB, Papke RL: Lithium modulates desensitization of the glutamate receptor subtype gluR3 in Xenopus oocytes. Neurosci Lett. 1999 Dec 31;277(3):153-6." Experimental Homogeneous alkali metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous alkali metal compounds Antipsychotic Agents; Antimanic Agents; Psychotropic Drugs; QTc Prolonging Agents; Serotonin Agents; Central Nervous System Depressants; Highest Risk QTc-Prolonging Agents; Nephrotoxic agents; Lithium Compounds; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Mood Stabilizer; Antidepressive Agents; Neurotoxic agents; Serotonin Modulators [Li+] 1399 46505392 PA450243 DNC000879 Lithium CHEMBL1234004 1546265 DB01357 Mestranol BE0000123 ESR1 P03372 ESR1_HUMAN agonist 20497523; 20524981; 11752352 "Dulos J, Vijn P, van Doorn C, Hofstra CL, Veening-Griffioen D, de Graaf J, Dijcks FA, Boots AM: Suppression of the inflammatory response in experimental arthritis is mediated via estrogen receptor alpha but not estrogen receptor beta. Arthritis Res Ther. 2010;12(3):R101. doi: 10.1186/ar3032. Epub 2010 May 24.@@Cleuren AC, Van der Linden IK, De Visser YP, Wagenaar GT, Reitsma PH, Van Vlijmen BJ: 17alpha-Ethinylestradiol rapidly alters transcript levels of murine coagulation genes via estrogen receptor alpha. J Thromb Haemost. 2010 Aug;8(8):1838-46. doi: 10.1111/j.1538-7836.2010.03930.x. Epub 2010 May 27.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Ethinyl Estradiol; Estradiol Congeners; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Steroids; Estrogen Contraceptives; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Gonadal Hormones; Norpregnatrienes; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Estrogenic Steroids, Alkylated; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3 7429 46507679 D00575 PA450388 DAP001014 Mestranol CHEMBL1201151 6782 DB01363 Ephedra sinica root BE0001012 ADRB3 P13945 ADRB3_HUMAN agonist 10449190 "Vansal SS, Feller DR: Direct effects of ephedrine isomers on human beta-adrenergic receptor subtypes. Biochem Pharmacol. 1999 Sep 1;58(5):807-10." Nutraceutical "Adrenergic beta-Agonists; Adrenergic alpha-Agonists; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Gnetophyta; Cycadopsida; Streptophyta; Drugs, Chinese Herbal; Plant Preparations; Viridiplantae; Herbs and Natural Products; Adrenergic Agonists; Complex Mixtures; Sympathomimetic (Adrenergic) Agents; Embryophyta; Agents that produce hypertension; Ephedra; Biological Products; Alpha-and Beta-adrenergic Agonists; Eukaryota; Pharmaceutical Preparations; Plant Extracts; Adrenergic beta-2 Receptor Agonists; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" 8944 46504840 PA164777031 Ephedra 1724424 DB01363 Ephedra sinica root BE0004674 SLC18A1 P54219 VMAT1_HUMAN inhibitor 15955613; 9587917; 17209801 "Sulzer D, Sonders MS, Poulsen NW, Galli A: Mechanisms of neurotransmitter release by amphetamines: a review. Prog Neurobiol. 2005 Apr;75(6):406-33.@@Henry JP, Sagne C, Bedet C, Gasnier B: The vesicular monoamine transporter: from chromaffin granule to brain. Neurochem Int. 1998 Mar;32(3):227-46.@@Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98." Nutraceutical "Adrenergic beta-Agonists; Adrenergic alpha-Agonists; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Gnetophyta; Cycadopsida; Streptophyta; Drugs, Chinese Herbal; Plant Preparations; Viridiplantae; Herbs and Natural Products; Adrenergic Agonists; Complex Mixtures; Sympathomimetic (Adrenergic) Agents; Embryophyta; Agents that produce hypertension; Ephedra; Biological Products; Alpha-and Beta-adrenergic Agonists; Eukaryota; Pharmaceutical Preparations; Plant Extracts; Adrenergic beta-2 Receptor Agonists; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" 8944 46504840 PA164777031 Ephedra 1724424 DB01365 Mephentermine BE0004872 ADRB1 P13945 ADRB3_HUMAN agonist 21182601 "Mohta M, Janani SS, Sethi AK, Agarwal D, Tyagi A: Comparison of phenylephrine hydrochloride and mephentermine sulphate for prevention of post spinal hypotension. Anaesthesia. 2010 Dec;65(12):1200-5. doi: 10.1111/j.1365-2044.2010.06559.x." Approved Amphetamines and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Autonomic Agents; Amphetamines; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Vasoconstrictor Agents; Adrenergic Agonists; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Cardiac Therapy; Neurotransmitter Agents; Ethylamines; Adrenergic Agents CNC(C)(C)CC1=CC=CC=C1 11174 46505918 D08180 PA164745533 DAP000898 Mephentermine CHEMBL1201234 6756 DB01367 Rasagiline BE0000246 BCL2 P10415 BCL2_HUMAN activator 12043833; 12057839; 12200198; 14555244; 16148027 "Youdim MB, Weinstock M: Molecular basis of neuroprotective activities of rasagiline and the anti-Alzheimer drug TV3326 [(N-propargyl-(3R)aminoindan-5-YL)-ethyl methyl carbamate]. Cell Mol Neurobiol. 2001 Dec;21(6):555-73.@@Akao Y, Maruyama W, Yi H, Shamoto-Nagai M, Youdim MB, Naoi M: An anti-Parkinson's disease drug, N-propargyl-1(R)-aminoindan (rasagiline), enhances expression of anti-apoptotic bcl-2 in human dopaminergic SH-SY5Y cells. Neurosci Lett. 2002 Jun 28;326(2):105-8.@@Maruyama W, Akao Y, Carrillo MC, Kitani K, Youdium MB, Naoi M: Neuroprotection by propargylamines in Parkinson's disease: suppression of apoptosis and induction of prosurvival genes. Neurotoxicol Teratol. 2002 Sep-Oct;24(5):675-82.@@Youdim MB, Amit T, Falach-Yogev M, Bar Am O, Maruyama W, Naoi M: The essentiality of Bcl-2, PKC and proteasome-ubiquitin complex activations in the neuroprotective-antiapoptotic action of the anti-Parkinson drug, rasagiline. Biochem Pharmacol. 2003 Oct 15;66(8):1635-41.@@Bar-Am O, Weinreb O, Amit T, Youdim MB: Regulation of Bcl-2 family proteins, neurotrophic factors, and APP processing in the neurorescue activity of propargylamine. FASEB J. 2005 Nov;19(13):1899-901. Epub 2005 Sep 7." Approved Indanes Organic compounds; Benzenoids; Indanes "Enzyme Inhibitors; Protective Agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Monoamine Oxidase B Inhibitors; Antidepressive Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Indenes; Drugs that are Mainly Renally Excreted; Serotonin Modulators; Anti-Parkinson Drugs; Agents that reduce seizure threshold; Agents that produce hypertension; Compounds used in a research, industrial, or household setting; Serotonin Agents; Monoamine Oxidase Inhibitors; Central Nervous System Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Neuroprotective Agents" C#CCN[C@@H]1CCC2=CC=CC=C12 19840 46506045 D08469 PA164764584 DAP001107 Rasagiline CHEMBL887 134748 DB01370 Aluminium BE0003392 APP P05067 A4_HUMAN 16942756 "Banks WA, Niehoff ML, Drago D, Zatta P: Aluminum complexing enhances amyloid beta protein penetration of blood-brain barrier. Brain Res. 2006 Oct 20;1116(1):215-21. Epub 2006 Aug 30." Approved; Investigational Homogeneous post-transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous post-transition metal compounds "Metals; Aluminum and magnesium containing antacids; Metal divalent cations; Elements; Gastric Acid Lowering Agents; Aluminium Compounds; Metal cations; Antacids; Metals, Light" [Al] 10033 46504765 PA164760864 DAP000467 Aluminium 1311504 DB01370 Aluminium BE0000732 ATP1A1 P05023 AT1A1_HUMAN binder 11509182; 14507470; 15111247; 15254985; 15651920; 11752352 "Menz RI, Walker JE, Leslie AG: Structure of bovine mitochondrial F(1)-ATPase with nucleotide bound to all three catalytic sites: implications for the mechanism of rotary catalysis. Cell. 2001 Aug 10;106(3):331-41.@@Silva VS, Goncalves PP: The inhibitory effect of aluminium on the (Na+/K+)ATPase activity of rat brain cortex synaptosomes. J Inorg Biochem. 2003 Sep 15;97(1):143-50.@@Amador FC, Santos MS, Oliveira CR: Lipid peroxidation and aluminium effects on the cholinergic system in nerve terminals. Neurotox Res. 2001 Jul;3(3):223-33.@@Kohila T, Parkkonen E, Tahti H: Evaluation of the effects of aluminium, ethanol and their combination on rat brain synaptosomal integral proteins in vitro and after 90-day oral exposure. Arch Toxicol. 2004 May;78(5):276-82.@@Kohila T, Tahti H: Effects of aluminium and lead on ATPase activity of knockout +/- mouse cerebral synaptosomes in vitro. Altern Lab Anim. 2004 Oct;32(4):361-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Homogeneous post-transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous post-transition metal compounds "Metals; Aluminum and magnesium containing antacids; Metal divalent cations; Elements; Gastric Acid Lowering Agents; Aluminium Compounds; Metal cations; Antacids; Metals, Light" [Al] 10033 46504765 PA164760864 DAP000467 Aluminium 1311504 DB01373 Calcium BE0000430 CACNA1C Q13936 CAC1C_HUMAN ligand 21303162 "Boda D, Giri J, Henderson D, Eisenberg B, Gillespie D: Analyzing the components of the free-energy landscape in a calcium selective ion channel by Widom's particle insertion method. J Chem Phys. 2011 Feb 7;134(5):055102. doi: 10.1063/1.3532937." Nutraceutical "Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases" [Ca] Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency signaling; disease; metabolic; drug_action 4803 46506005 PA164712582 Calcium 1895 DB01373 Calcium BE0000218 ATP2C1 P98194 AT2C1_HUMAN agonist 9787799; 20573858 "Shi X, Chen M, Huvos PE, Hardwicke PM: Amino acid sequence of a Ca(2+)-transporting ATPase from the sarcoplasmic reticulum of the cross-striated part of the adductor muscle of the deep sea scallop: comparison to serca enzymes of other animals. Comp Biochem Physiol B Biochem Mol Biol. 1998 Jun;120(2):359-74.@@Bonza MC, Martin H, Kang M, Lewis G, Greiner T, Giacometti S, Van Etten JL, De Michelis MI, Thiel G, Moroni A: A functional calcium-transporting ATPase encoded by chlorella viruses. J Gen Virol. 2010 Oct;91(Pt 10):2620-9. doi: 10.1099/vir.0.021873-0. Epub 2010 Jun 23." Nutraceutical "Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases" [Ca] Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency signaling; disease; metabolic; drug_action 4803 46506005 PA164712582 Calcium 1895 DB01373 Calcium BE0004593 SPTBN1 Q01082 SPTB2_HUMAN agonist 1537825 "Wallis CJ, Wenegieme EF, Babitch JA: Characterization of calcium binding to brain spectrin. J Biol Chem. 1992 Mar 5;267(7):4333-7." Nutraceutical "Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases" [Ca] Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency signaling; disease; metabolic; drug_action 4803 46506005 PA164712582 Calcium 1895 DB01373 Calcium BE0001177 S100B P04271 S100B_HUMAN 17515952; 17536784; 17612632; 17624933 "Lee TS, Mane S, Eid T, Zhao H, Lin A, Guan Z, Kim JH, Schweitzer J, King-Stevens D, Weber P, Spencer SS, Spencer DD, de Lanerolle NC: Gene expression in temporal lobe epilepsy is consistent with increased release of glutamate by astrocytes. Mol Med. 2007 Jan-Feb;13(1-2):1-13.@@Marlatt NM, Shaw GS: Amide exchange shows calcium-induced conformational changes are transmitted to the dimer interface of S100B. Biochemistry. 2007 Jun 26;46(25):7478-87. Epub 2007 May 31.@@Liang J, Luo G, Ning X, Shi Y, Zhai H, Sun S, Jin H, Liu Z, Zhang F, Lu Y, Zhao Y, Chen X, Zhang H, Guo X, Wu K, Fan D: Differential expression of calcium-related genes in gastric cancer cells transfected with cellular prion protein. Biochem Cell Biol. 2007 Jun;85(3):375-83.@@Friel LA, Romero R, Edwin S, Nien JK, Gomez R, Chaiworapongsa T, Kusanovic JP, Tolosa JE, Hassan SS, Espinoza J: The calcium binding protein, S100B, is increased in the amniotic fluid of women with intra-amniotic infection/inflammation and preterm labor with intact or ruptured membranes. J Perinat Med. 2007;35(5):385-93." Nutraceutical "Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases" [Ca] Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency signaling; disease; metabolic; drug_action 4803 46506005 PA164712582 Calcium 1895 DB01373 Calcium BE0000904 CAST P20810 ICAL_HUMAN 17543955; 17570336 "Hanna RA, Garcia-Diaz BE, Davies PL: Calpastatin simultaneously binds four calpains with different kinetic constants. FEBS Lett. 2007 Jun 26;581(16):2894-8. Epub 2007 May 25.@@De Tullio R, Averna M, Stifanese R, Parr T, Bardsley RG, Pontremoli S, Melloni E: Multiple rat brain calpastatin forms are produced by distinct starting points and alternative splicing of the N-terminal exons. Arch Biochem Biophys. 2007 Sep 1;465(1):148-56. Epub 2007 May 30." Nutraceutical "Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases" [Ca] Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency signaling; disease; metabolic; drug_action 4803 46506005 PA164712582 Calcium 1895 DB01373 Calcium BE0000885 S100A13 Q99584 S10AD_HUMAN 16766622 "Sivaraja V, Kumar TK, Rajalingam D, Graziani I, Prudovsky I, Yu C: Copper binding affinity of S100A13, a key component of the FGF-1 nonclassical copper-dependent release complex. Biophys J. 2006 Sep 1;91(5):1832-43. Epub 2006 Jun 9." Nutraceutical "Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases" [Ca] Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency signaling; disease; metabolic; drug_action 4803 46506005 PA164712582 Calcium 1895 DB01373 Calcium BE0001140 CP P00450 CERU_HUMAN 17242517 "Bento I, Peixoto C, Zaitsev VN, Lindley PF: Ceruloplasmin revisited: structural and functional roles of various metal cation-binding sites. Acta Crystallogr D Biol Crystallogr. 2007 Feb;63(Pt 2):240-8. Epub 2007 Jan 16." Nutraceutical "Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases" [Ca] Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency signaling; disease; metabolic; drug_action 4803 46506005 PA164712582 Calcium 1895 DB01373 Calcium BE0005814 PCDH19 Q8TAB3 PCD19_HUMAN 18469813 "Dibbens LM, Tarpey PS, Hynes K, Bayly MA, Scheffer IE, Smith R, Bomar J, Sutton E, Vandeleur L, Shoubridge C, Edkins S, Turner SJ, Stevens C, O'Meara S, Tofts C, Barthorpe S, Buck G, Cole J, Halliday K, Jones D, Lee R, Madison M, Mironenko T, Varian J, West S, Widaa S, Wray P, Teague J, Dicks E, Butler A, Menzies A, Jenkinson A, Shepherd R, Gusella JF, Afawi Z, Mazarib A, Neufeld MY, Kivity S, Lev D, Lerman-Sagie T, Korczyn AD, Derry CP, Sutherland GR, Friend K, Shaw M, Corbett M, Kim HG, Geschwind DH, Thomas P, Haan E, Ryan S, McKee S, Berkovic SF, Futreal PA, Stratton MR, Mulley JC, Gecz J: X-linked protocadherin 19 mutations cause female-limited epilepsy and cognitive impairment. Nat Genet. 2008 Jun;40(6):776-81. doi: 10.1038/ng.149. Epub 2008 May 11." Nutraceutical "Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases" [Ca] Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency signaling; disease; metabolic; drug_action 4803 46506005 PA164712582 Calcium 1895 DB01373 Calcium BE0005812 PDCD6 O75340 PDCD6_HUMAN 18997320 "Suzuki H, Kawasaki M, Kakiuchi T, Shibata H, Wakatsuki S, Maki M: Crystallization and X-ray diffraction analysis of N-terminally truncated human ALG-2. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2008 Nov 1;64(Pt 11):974-7. doi: 10.1107/S1744309108030297. Epub 2008 Oct 31." Nutraceutical "Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases" [Ca] Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency signaling; disease; metabolic; drug_action 4803 46506005 PA164712582 Calcium 1895 DB01375 Aluminium monostearate BE0002470 VDAC3 Q9Y277 VDAC3_HUMAN inhibitor 2469483; 1694685 "Zhang DW, Colombini M: Inhibition by aluminum hydroxide of the voltage-dependent closure of the mitochondrial channel, VDAC. Biochim Biophys Acta. 1989 Apr 25;991(1):68-78.@@Zhang DW, Colombini M: Group IIIA-metal hydroxides indirectly neutralize the voltage sensor of the voltage-dependent mitochondrial channel, VDAC, by interacting with a dynamic binding site. Biochim Biophys Acta. 1990 Jun 27;1025(2):127-34." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Fatty Acids; Lipids CCCCCCCCCCCCCCCCCC(=O)O[Al](O)O 46505934 D01867 PA164746763 DAP000798 Aluminium_monostearate CHEMBL3185220 DB01378 Magnesium cation BE0000732 ATP1A1 P05023 AT1A1_HUMAN 16808357; 16928192; 16990961; 17294093 "Buchachenko AL, Kuznetsov DA, Berdinskii VL: [New mechanisms of biological effects of electromagnetic fields]. Biofizika. 2006 May-Jun;51(3):545-52.@@Sirijovski N, Olsson U, Lundqvist J, Al-Karadaghi S, Willows RD, Hansson M: ATPase activity associated with the magnesium chelatase H-subunit of the chlorophyll biosynthetic pathway is an artefact. Biochem J. 2006 Dec 15;400(3):477-84.@@Balasubramaniyan V, Nalini N: Leptin alters brain adenosine triphosphatase activity in ethanol-mediated neurotoxicity in mice. Singapore Med J. 2006 Oct;47(10):864-8.@@Nogovitsina OR, Levitina EV: Neurological aspects of the clinical features, pathophysiology, and corrections of impairments in attention deficit hyperactivity disorder. Neurosci Behav Physiol. 2007 Mar;37(3):199-202." Approved; Nutraceutical Homogeneous alkaline earth metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous alkaline earth metal compounds "Inhibition Large Intestine Fluid/Electrolyte Absorption; Minerals; Calculi Dissolution Agent; Polyvalent cation containing laxatives, antacids, oral supplements; Increased Large Intestinal Motility; Agents that produce neuromuscular block (indirect); Osmotic Laxatives; Laxatives; Inhibition Small Intestine Fluid/Electrolyte Absorption; Magnesium Ion Exchange Activity; Osmotic Activity; Stimulation Large Intestine Fluid/Electrolyte Secretion" [Mg++] Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; Arachidonic Acid Metabolism; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Oxaprozin Action Pathway; Oxidation of Branched-Chain Fatty Acids; Fructose and Mannose Degradation; Phenylacetate Metabolism; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Amino Sugar Metabolism; Naproxen Action Pathway; Glycolysis; Sphingolipid Metabolism; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Glutaric Aciduria Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Ketorolac Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Acetylsalicylic Acid Action Pathway; Lovastatin Action Pathway; Nucleotide Sugars Metabolism; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Folate Metabolism; Adenylosuccinate Lyase Deficiency disease; metabolic; drug_action 6487 46508750 PA164712884 DCL000876 Magnesium 1426853 DB01380 Cortisone acetate BE0000794 NR3C1 P04150 GCR_HUMAN agonist 16891588; 16895953; 16980198; 17038445; 17086345; 7062741; 7054210 "Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404.@@Schlechte JA, Ginsberg BH, Sherman BM: Regulation of the glucocorticoid receptor in human lymphocytes. J Steroid Biochem. 1982 Jan;16(1):69-74.@@Schlechte JA, Sherman BM: Decreased glucocorticoid receptor binding in adrenal insufficiency. J Clin Endocrinol Metab. 1982 Jan;54(1):145-9." Approved; Investigational "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Pregnenes; Pregnanes; OAT3/SLC22A8 Substrates; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Glucocorticoids; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7530 46508852 D00973 PA449130 Cortisone_acetate CHEMBL1650 21655 DB01380 Cortisone acetate BE0000422 ANXA1 P04083 ANXA1_HUMAN inducer 8060156 "Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72." Approved; Investigational "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Pregnenes; Pregnanes; OAT3/SLC22A8 Substrates; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Glucocorticoids; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7530 46508852 D00973 PA449130 Cortisone_acetate CHEMBL1650 21655 DB01381 Ginkgo biloba BE0000433 GLRA1 P23415 GLRA1_HUMAN antagonist 18221374 "Heads JA, Hawthorne RL, Lynagh T, Lynch JW: Structure-activity analysis of ginkgolide binding in the glycine receptor pore. J Neurochem. 2008 May;105(4):1418-27. doi: 10.1111/j.1471-4159.2008.05244.x. Epub 2008 Jan 21." Approved; Investigational; Nutraceutical Cytochrome P-450 CYP3A4 Inhibitors (weak); Anti-Dementia Drugs; Ginkgolides; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Blood Circulation; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Streptophyta; Cytochrome P-450 CYP3A4 Inhibitors; Plant Preparations; Viridiplantae; Complex Mixtures; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Embryophyta; Biological Products; Eukaryota; Pharmaceutical Preparations; Plant Extracts; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates; Tracheophyta; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) 1522 46508832 PA449758 Ginkgo_biloba 236809 DB01381 Ginkgo biloba BE0000795 GABRA1 P14867 GBRA1_HUMAN negative modulator 12824018 "Hanrahan JR, Chebib M, Davucheron NL, Hall BJ, Johnston GA: Semisynthetic preparation of amentoflavone: A negative modulator at GABA(A) receptors. Bioorg Med Chem Lett. 2003 Jul 21;13(14):2281-4." Approved; Investigational; Nutraceutical Cytochrome P-450 CYP3A4 Inhibitors (weak); Anti-Dementia Drugs; Ginkgolides; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Blood Circulation; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Streptophyta; Cytochrome P-450 CYP3A4 Inhibitors; Plant Preparations; Viridiplantae; Complex Mixtures; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Embryophyta; Biological Products; Eukaryota; Pharmaceutical Preparations; Plant Extracts; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates; Tracheophyta; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) 1522 46508832 PA449758 Ginkgo_biloba 236809 DB01381 Ginkgo biloba BE0002346 GABRB2 P47870 GBRB2_HUMAN negative modulator 12824018 "Hanrahan JR, Chebib M, Davucheron NL, Hall BJ, Johnston GA: Semisynthetic preparation of amentoflavone: A negative modulator at GABA(A) receptors. Bioorg Med Chem Lett. 2003 Jul 21;13(14):2281-4." Approved; Investigational; Nutraceutical Cytochrome P-450 CYP3A4 Inhibitors (weak); Anti-Dementia Drugs; Ginkgolides; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Blood Circulation; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Streptophyta; Cytochrome P-450 CYP3A4 Inhibitors; Plant Preparations; Viridiplantae; Complex Mixtures; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Embryophyta; Biological Products; Eukaryota; Pharmaceutical Preparations; Plant Extracts; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates; Tracheophyta; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) 1522 46508832 PA449758 Ginkgo_biloba 236809 DB01381 Ginkgo biloba BE0000005 NOS2 P35228 NOS2_HUMAN inhibitor 10535759 "Cheung F, Siow YL, Chen WZ, O K: Inhibitory effect of Ginkgo biloba extract on the expression of inducible nitric oxide synthase in endothelial cells. Biochem Pharmacol. 1999 Nov 15;58(10):1665-73. doi: 10.1016/s0006-2952(99)00255-5." Approved; Investigational; Nutraceutical Cytochrome P-450 CYP3A4 Inhibitors (weak); Anti-Dementia Drugs; Ginkgolides; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Blood Circulation; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Streptophyta; Cytochrome P-450 CYP3A4 Inhibitors; Plant Preparations; Viridiplantae; Complex Mixtures; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Embryophyta; Biological Products; Eukaryota; Pharmaceutical Preparations; Plant Extracts; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates; Tracheophyta; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) 1522 46508832 PA449758 Ginkgo_biloba 236809 DB01384 Paramethasone BE0000794 NR3C1 P04150 GCR_HUMAN agonist 16255837; 16891588; 16895953; 16980198; 17038445; 17086345 "Fitzgerald P, O'Brien SM, Scully P, Rijkers K, Scott LV, Dinan TG: Cutaneous glucocorticoid receptor sensitivity and pro-inflammatory cytokine levels in antidepressant-resistant depression. Psychol Med. 2006 Jan;36(1):37-43. Epub 2005 Oct 28.@@Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404." Experimental 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnanes; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Steroids; Pregnadienetriols; Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C 46504651 D07464 PA164777035 DAP000422 Paramethasone CHEMBL1579 7910 DB01388 Mibefradil BE0000864 CACNA1H O95180 CAC1H_HUMAN inhibitor 15498818; 17190903; 9670923; 16899990; 14993472; 9375939; 9481612; 15562257 "Brueggemann LI, Martin BL, Barakat J, Byron KL, Cribbs LL: Low voltage-activated calcium channels in vascular smooth muscle: T-type channels and AVP-stimulated calcium spiking. Am J Physiol Heart Circ Physiol. 2005 Feb;288(2):H923-35. Epub 2004 Oct 21.@@Coste B, Crest M, Delmas P: Pharmacological dissection and distribution of NaN/Nav1.9, T-type Ca2+ currents, and mechanically activated cation currents in different populations of DRG neurons. J Gen Physiol. 2007 Jan;129(1):57-77.@@Cribbs LL, Lee JH, Yang J, Satin J, Zhang Y, Daud A, Barclay J, Williamson MP, Fox M, Rees M, Perez-Reyes E: Cloning and characterization of alpha1H from human heart, a member of the T-type Ca2+ channel gene family. Circ Res. 1998 Jul 13;83(1):103-9.@@Lee TS, Kaku T, Takebayashi S, Uchino T, Miyamoto S, Hadama T, Perez-Reyes E, Ono K: Actions of mibefradil, efonidipine and nifedipine block of recombinant T- and L-type Ca channels with distinct inhibitory mechanisms. Pharmacology. 2006;78(1):11-20. Epub 2006 Aug 7.@@Perez-Reyes E: Paradoxical role of T-type calcium channels in coronary smooth muscle. Mol Interv. 2004 Feb;4(1):16-8.@@Massie BM: Mibefradil: a selective T-type calcium antagonist. Am J Cardiol. 1997 Nov 6;80(9A):23I-32I.@@Clozel JP, Ertel EA, Ertel SI: Discovery and main pharmacological properties of mibefradil (Ro 40-5967), the first selective T-type calcium channel blocker. J Hypertens Suppl. 1997 Dec;15(5):S17-25.@@McNulty MM, Hanck DA: State-dependent mibefradil block of Na+ channels. Mol Pharmacol. 2004 Dec;66(6):1652-61." Investigational; Withdrawn Tetralins Organic compounds; Benzenoids; Tetralins "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Naphthalenes; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Benzimidazoles" COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C 46504498 PA450492 DCL000341 Mibefradil CHEMBL45816 83213 DB01388 Mibefradil BE0000430 CACNA1C Q13936 CAC1C_HUMAN inhibitor 16306443; 16899990; 10372226; 10665814 "Moosmang S, Haider N, Bruderl B, Welling A, Hofmann F: Antihypertensive effects of the putative T-type calcium channel antagonist mibefradil are mediated by the L-type calcium channel Cav1.2. Circ Res. 2006 Jan 6;98(1):105-10. Epub 2005 Nov 23.@@Lee TS, Kaku T, Takebayashi S, Uchino T, Miyamoto S, Hadama T, Perez-Reyes E, Ono K: Actions of mibefradil, efonidipine and nifedipine block of recombinant T- and L-type Ca channels with distinct inhibitory mechanisms. Pharmacology. 2006;78(1):11-20. Epub 2006 Aug 7.@@Mocanu MM, Gadgil S, Yellon DM, Baxter GF: Mibefradil, a T-type and L-type calcium channel blocker, limits infarct size through a glibenclamide-sensitive mechanism. Cardiovasc Drugs Ther. 1999 Apr;13(2):115-22.@@Jimenez C, Bourinet E, Leuranguer V, Richard S, Snutch TP, Nargeot J: Determinants of voltage-dependent inactivation affect Mibefradil block of calcium channels. Neuropharmacology. 2000;39(1):1-10." Investigational; Withdrawn Tetralins Organic compounds; Benzenoids; Tetralins "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Naphthalenes; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Benzimidazoles" COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C 46504498 PA450492 DCL000341 Mibefradil CHEMBL45816 83213 DB01388 Mibefradil BE0002359 CACNA1D Q01668 CAC1D_HUMAN inhibitor 10372226; 10665814; 16899990 "Mocanu MM, Gadgil S, Yellon DM, Baxter GF: Mibefradil, a T-type and L-type calcium channel blocker, limits infarct size through a glibenclamide-sensitive mechanism. Cardiovasc Drugs Ther. 1999 Apr;13(2):115-22.@@Jimenez C, Bourinet E, Leuranguer V, Richard S, Snutch TP, Nargeot J: Determinants of voltage-dependent inactivation affect Mibefradil block of calcium channels. Neuropharmacology. 2000;39(1):1-10.@@Lee TS, Kaku T, Takebayashi S, Uchino T, Miyamoto S, Hadama T, Perez-Reyes E, Ono K: Actions of mibefradil, efonidipine and nifedipine block of recombinant T- and L-type Ca channels with distinct inhibitory mechanisms. Pharmacology. 2006;78(1):11-20. Epub 2006 Aug 7." Investigational; Withdrawn Tetralins Organic compounds; Benzenoids; Tetralins "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Naphthalenes; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Benzimidazoles" COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C 46504498 PA450492 DCL000341 Mibefradil CHEMBL45816 83213 DB01388 Mibefradil BE0000012 CACNA1I Q9P0X4 CAC1I_HUMAN inhibitor 9375939; 9481612; 15562257; 16899990 "Massie BM: Mibefradil: a selective T-type calcium antagonist. Am J Cardiol. 1997 Nov 6;80(9A):23I-32I.@@Clozel JP, Ertel EA, Ertel SI: Discovery and main pharmacological properties of mibefradil (Ro 40-5967), the first selective T-type calcium channel blocker. J Hypertens Suppl. 1997 Dec;15(5):S17-25.@@McNulty MM, Hanck DA: State-dependent mibefradil block of Na+ channels. Mol Pharmacol. 2004 Dec;66(6):1652-61.@@Lee TS, Kaku T, Takebayashi S, Uchino T, Miyamoto S, Hadama T, Perez-Reyes E, Ono K: Actions of mibefradil, efonidipine and nifedipine block of recombinant T- and L-type Ca channels with distinct inhibitory mechanisms. Pharmacology. 2006;78(1):11-20. Epub 2006 Aug 7." Investigational; Withdrawn Tetralins Organic compounds; Benzenoids; Tetralins "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Naphthalenes; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Benzimidazoles" COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C 46504498 PA450492 DCL000341 Mibefradil CHEMBL45816 83213 DB01388 Mibefradil BE0002355 CACNA1S Q13698 CAC1S_HUMAN inhibitor 10372226; 10665814; 16899990 "Mocanu MM, Gadgil S, Yellon DM, Baxter GF: Mibefradil, a T-type and L-type calcium channel blocker, limits infarct size through a glibenclamide-sensitive mechanism. Cardiovasc Drugs Ther. 1999 Apr;13(2):115-22.@@Jimenez C, Bourinet E, Leuranguer V, Richard S, Snutch TP, Nargeot J: Determinants of voltage-dependent inactivation affect Mibefradil block of calcium channels. Neuropharmacology. 2000;39(1):1-10.@@Lee TS, Kaku T, Takebayashi S, Uchino T, Miyamoto S, Hadama T, Perez-Reyes E, Ono K: Actions of mibefradil, efonidipine and nifedipine block of recombinant T- and L-type Ca channels with distinct inhibitory mechanisms. Pharmacology. 2006;78(1):11-20. Epub 2006 Aug 7." Investigational; Withdrawn Tetralins Organic compounds; Benzenoids; Tetralins "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Naphthalenes; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Benzimidazoles" COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C 46504498 PA450492 DCL000341 Mibefradil CHEMBL45816 83213 DB01388 Mibefradil BE0002354 CACNB2 Q08289 CACB2_HUMAN inhibitor 16899990; 10372226; 10665814 "Lee TS, Kaku T, Takebayashi S, Uchino T, Miyamoto S, Hadama T, Perez-Reyes E, Ono K: Actions of mibefradil, efonidipine and nifedipine block of recombinant T- and L-type Ca channels with distinct inhibitory mechanisms. Pharmacology. 2006;78(1):11-20. Epub 2006 Aug 7.@@Mocanu MM, Gadgil S, Yellon DM, Baxter GF: Mibefradil, a T-type and L-type calcium channel blocker, limits infarct size through a glibenclamide-sensitive mechanism. Cardiovasc Drugs Ther. 1999 Apr;13(2):115-22.@@Jimenez C, Bourinet E, Leuranguer V, Richard S, Snutch TP, Nargeot J: Determinants of voltage-dependent inactivation affect Mibefradil block of calcium channels. Neuropharmacology. 2000;39(1):1-10." Investigational; Withdrawn Tetralins Organic compounds; Benzenoids; Tetralins "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Naphthalenes; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Benzimidazoles" COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C 46504498 PA450492 DCL000341 Mibefradil CHEMBL45816 83213 DB01388 Mibefradil BE0002356 CACNB4 O00305 CACB4_HUMAN inhibitor 16899990; 10372226; 10665814 "Lee TS, Kaku T, Takebayashi S, Uchino T, Miyamoto S, Hadama T, Perez-Reyes E, Ono K: Actions of mibefradil, efonidipine and nifedipine block of recombinant T- and L-type Ca channels with distinct inhibitory mechanisms. Pharmacology. 2006;78(1):11-20. Epub 2006 Aug 7.@@Mocanu MM, Gadgil S, Yellon DM, Baxter GF: Mibefradil, a T-type and L-type calcium channel blocker, limits infarct size through a glibenclamide-sensitive mechanism. Cardiovasc Drugs Ther. 1999 Apr;13(2):115-22.@@Jimenez C, Bourinet E, Leuranguer V, Richard S, Snutch TP, Nargeot J: Determinants of voltage-dependent inactivation affect Mibefradil block of calcium channels. Neuropharmacology. 2000;39(1):1-10." Investigational; Withdrawn Tetralins Organic compounds; Benzenoids; Tetralins "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Naphthalenes; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Benzimidazoles" COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C 46504498 PA450492 DCL000341 Mibefradil CHEMBL45816 83213 DB01392 Yohimbine BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 10611634 "Millan MJ, Newman-Tancredi A, Audinot V, Cussac D, Lejeune F, Nicolas JP, Coge F, Galizzi JP, Boutin JA, Rivet JM, Dekeyne A, Gobert A: Agonist and antagonist actions of yohimbine as compared to fluparoxan at alpha(2)-adrenergic receptors (AR)s, serotonin (5-HT)(1A), 5-HT(1B), 5-HT(1D) and dopamine D(2) and D(3) receptors. Significance for the modulation of frontocortical monoaminergic transmission and depressive states. Synapse. 2000 Feb;35(2):79-95." Approved; Investigational; Vet_approved Yohimbine alkaloids Organic compounds; Alkaloids and derivatives; Yohimbine alkaloids "Serotonin 5-HT2A Receptor Antagonists; Adrenergic alpha-2 Receptor Antagonists; Indolizidines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Indoles; Autonomic Agents; Antidepressive Agents; Urological Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Alkaloids; Genito Urinary System and Sex Hormones; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Secologanin Tryptamine Alkaloids; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Adrenergic Antagonists; Mydriatics; Urologicals; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Serotonin Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Other Miscellaneous Therapeutic Agents; Adrenergic Agents; Indolizines; Drugs Used in Erectile Dysfunction" [H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2 6681 46504602 PA451946 DAP000087 Yohimbine CHEMBL15245 220982 DB01392 Yohimbine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 8032658; 6136920; 20036429 "Baxter GS, Murphy OE, Blackburn TP: Further characterization of 5-hydroxytryptamine receptors (putative 5-HT2B) in rat stomach fundus longitudinal muscle. Br J Pharmacol. 1994 May;112(1):323-31.@@Kaumann AJ: Yohimbine and rauwolscine inhibit 5-hydroxytryptamine-induced contraction of large coronary arteries of calf through blockade of 5 HT2 receptors. Naunyn Schmiedebergs Arch Pharmacol. 1983 Jun;323(2):149-54.@@Holmes A, Quirk GJ: Pharmacological facilitation of fear extinction and the search for adjunct treatments for anxiety disorders--the case of yohimbine. Trends Pharmacol Sci. 2010 Jan;31(1):2-7. doi: 10.1016/j.tips.2009.10.003. Epub 2009 Dec 28." Approved; Investigational; Vet_approved Yohimbine alkaloids Organic compounds; Alkaloids and derivatives; Yohimbine alkaloids "Serotonin 5-HT2A Receptor Antagonists; Adrenergic alpha-2 Receptor Antagonists; Indolizidines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Indoles; Autonomic Agents; Antidepressive Agents; Urological Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Alkaloids; Genito Urinary System and Sex Hormones; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Secologanin Tryptamine Alkaloids; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Adrenergic Antagonists; Mydriatics; Urologicals; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Serotonin Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Other Miscellaneous Therapeutic Agents; Adrenergic Agents; Indolizines; Drugs Used in Erectile Dysfunction" [H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2 6681 46504602 PA451946 DAP000087 Yohimbine CHEMBL15245 220982 DB01392 Yohimbine BE0000393 HTR2B P41595 5HT2B_HUMAN antagonist 8032658; 9225287 "Baxter GS, Murphy OE, Blackburn TP: Further characterization of 5-hydroxytryptamine receptors (putative 5-HT2B) in rat stomach fundus longitudinal muscle. Br J Pharmacol. 1994 May;112(1):323-31.@@Bonhaus DW, Weinhardt KK, Taylor M, DeSouza A, McNeeley PM, Szczepanski K, Fontana DJ, Trinh J, Rocha CL, Dawson MW, Flippin LA, Eglen RM: RS-102221: a novel high affinity and selective, 5-HT2C receptor antagonist. Neuropharmacology. 1997 Apr-May;36(4-5):621-9." Approved; Investigational; Vet_approved Yohimbine alkaloids Organic compounds; Alkaloids and derivatives; Yohimbine alkaloids "Serotonin 5-HT2A Receptor Antagonists; Adrenergic alpha-2 Receptor Antagonists; Indolizidines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Indoles; Autonomic Agents; Antidepressive Agents; Urological Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Alkaloids; Genito Urinary System and Sex Hormones; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Secologanin Tryptamine Alkaloids; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Adrenergic Antagonists; Mydriatics; Urologicals; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Serotonin Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Other Miscellaneous Therapeutic Agents; Adrenergic Agents; Indolizines; Drugs Used in Erectile Dysfunction" [H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2 6681 46504602 PA451946 DAP000087 Yohimbine CHEMBL15245 220982 DB01393 Bezafibrate BE0001007 PPARD Q03181 PPARD_HUMAN agonist 16168052 "Tenenbaum A, Motro M, Fisman EZ: Dual and pan-peroxisome proliferator-activated receptors (PPAR) co-agonism: the bezafibrate lessons. Cardiovasc Diabetol. 2005 Sep 16;4:14." Approved; Investigational Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Amides; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Phenols; Benzamides and benzamide derivatives; Cytochrome P-450 CYP2C8 Inhibitors (weak); Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Acids, Carbocyclic; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Chlorobenzoates; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia" CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O 949 46509188 D01366 PA162364313 DAP001182 Bezafibrate CHEMBL264374 1525 DB01393 Bezafibrate BE0000215 PPARG P37231 PPARG_HUMAN agonist 16168052 "Tenenbaum A, Motro M, Fisman EZ: Dual and pan-peroxisome proliferator-activated receptors (PPAR) co-agonism: the bezafibrate lessons. Cardiovasc Diabetol. 2005 Sep 16;4:14." Approved; Investigational Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Amides; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Phenols; Benzamides and benzamide derivatives; Cytochrome P-450 CYP2C8 Inhibitors (weak); Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Acids, Carbocyclic; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Chlorobenzoates; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia" CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O 949 46509188 D01366 PA162364313 DAP001182 Bezafibrate CHEMBL264374 1525 DB01393 Bezafibrate BE0000071 PPARA Q07869 PPARA_HUMAN agonist 10909982; 10933891; 11172467; 11422732; 11519881; 18629356; 16511610; 11752352 "Pedraza N, Solanes G, Carmona MC, Iglesias R, Vinas O, Mampel T, Vazquez M, Giralt M, Villarroya F: Impaired expression of the uncoupling protein-3 gene in skeletal muscle during lactation: fibrates and troglitazone reverse lactation-induced downregulation of the uncoupling protein-3 gene. Diabetes. 2000 Jul;49(7):1224-30.@@Cabrero A, Alegret M, Sanchez R, Adzet T, Laguna JC, Vazquez M: Peroxisome proliferator-activated receptor alpha (PPARalpha) activators, bezafibrate and Wy-14,643, increase uncoupling protein-3 mRNA levels without modifying the mitochondrial membrane potential in primary culture of rat preadipocytes. Arch Biochem Biophys. 2000 Aug 15;380(2):353-9.@@Inoue I, Goto S, Matsunaga T, Nakajima T, Awata T, Hokari S, Komoda T, Katayama S: The ligands/activators for peroxisome proliferator-activated receptor alpha (PPARalpha) and PPARgamma increase Cu2+,Zn2+-superoxide dismutase and decrease p22phox message expressions in primary endothelial cells. Metabolism. 2001 Jan;50(1):3-11.@@Guan Y, Breyer MD: Peroxisome proliferator-activated receptors (PPARs): novel therapeutic targets in renal disease. Kidney Int. 2001 Jul;60(1):14-30.@@Bonilla S, Redonnet A, Noel-Suberville C, Groubet R, Pallet V, Higueret P: Effect of a pharmacological activation of PPAR on the expression of RAR and TR in rat liver. J Physiol Biochem. 2001 Mar;57(1):1-8.@@Goldenberg I, Benderly M, Goldbourt U: Update on the use of fibrates: focus on bezafibrate. Vasc Health Risk Manag. 2008;4(1):131-41.@@Fruchart JC, Duriez P: Mode of action of fibrates in the regulation of triglyceride and HDL-cholesterol metabolism. Drugs Today (Barc). 2006 Jan;42(1):39-64.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Amides; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Phenols; Benzamides and benzamide derivatives; Cytochrome P-450 CYP2C8 Inhibitors (weak); Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Acids, Carbocyclic; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Chlorobenzoates; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia" CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O 949 46509188 D01366 PA162364313 DAP001182 Bezafibrate CHEMBL264374 1525 DB01393 Bezafibrate BE0000412 RXRA P19793 RXRA_HUMAN agonist 23843199 "Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11." Approved; Investigational Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Amides; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Phenols; Benzamides and benzamide derivatives; Cytochrome P-450 CYP2C8 Inhibitors (weak); Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Acids, Carbocyclic; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Chlorobenzoates; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia" CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O 949 46509188 D01366 PA162364313 DAP001182 Bezafibrate CHEMBL264374 1525 DB01393 Bezafibrate BE0000707 RXRG P48443 RXRG_HUMAN agonist 23843199 "Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11." Approved; Investigational Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Amides; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Phenols; Benzamides and benzamide derivatives; Cytochrome P-450 CYP2C8 Inhibitors (weak); Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Acids, Carbocyclic; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Chlorobenzoates; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia" CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O 949 46509188 D01366 PA162364313 DAP001182 Bezafibrate CHEMBL264374 1525 DB01395 Drospirenone BE0000668 NR3C2 P08235 MCR_HUMAN antagonist 11024226; 8922878; 7625729; 8732994; 12659403; 15134826 "Krattenmacher R: Drospirenone: pharmacology and pharmacokinetics of a unique progestogen. Contraception. 2000 Jul;62(1):29-38.@@Fuhrmann U, Krattenmacher R, Slater EP, Fritzemeier KH: The novel progestin drospirenone and its natural counterpart progesterone: biochemical profile and antiandrogenic potential. Contraception. 1996 Oct;54(4):243-51.@@Muhn P, Fuhrmann U, Fritzemeier KH, Krattenmacher R, Schillinger E: Drospirenone: a novel progestogen with antimineralocorticoid and antiandrogenic activity. Ann N Y Acad Sci. 1995 Jun 12;761:311-35. doi: 10.1111/j.1749-6632.1995.tb31386.x.@@Oelkers WK: Effects of estrogens and progestogens on the renin-aldosterone system and blood pressure. Steroids. 1996 Apr;61(4):166-71.@@Oelkers W: Antimineralocorticoid activity of a novel oral contraceptive containing drospirenone, a unique progestogen resembling natural progesterone. Eur J Contracept Reprod Health Care. 2002 Dec;7 Suppl 3:19-26; discussion 42-3.@@Oelkers W: Drospirenone, a progestogen with antimineralocorticoid properties: a short review. Mol Cell Endocrinol. 2004 Mar 31;217(1-2):255-61. doi: 10.1016/j.mce.2003.10.030." Approved Spironolactones and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones "Progesterone Congeners; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Progestins; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Fused-Ring Compounds; Adrenal Cortex Hormones; Diuretics; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Natriuretic Agents; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptive Agents, Female; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@]1([H])[C@@]1([H])[C@]3([H])[C@]4([H])C[C@]4([H])[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@]1([H])[C@@]1(C)CCC(=O)C=C21 13375 46507653 D03917 PA164749409 DAP001206 Drospirenone CHEMBL1509 11636 DB01395 Drospirenone BE0000132 AR P10275 ANDR_HUMAN antagonist 11024226; 7625729; 15134826 "Krattenmacher R: Drospirenone: pharmacology and pharmacokinetics of a unique progestogen. Contraception. 2000 Jul;62(1):29-38.@@Muhn P, Fuhrmann U, Fritzemeier KH, Krattenmacher R, Schillinger E: Drospirenone: a novel progestogen with antimineralocorticoid and antiandrogenic activity. Ann N Y Acad Sci. 1995 Jun 12;761:311-35. doi: 10.1111/j.1749-6632.1995.tb31386.x.@@Oelkers W: Drospirenone, a progestogen with antimineralocorticoid properties: a short review. Mol Cell Endocrinol. 2004 Mar 31;217(1-2):255-61. doi: 10.1016/j.mce.2003.10.030." Approved Spironolactones and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones "Progesterone Congeners; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Progestins; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Fused-Ring Compounds; Adrenal Cortex Hormones; Diuretics; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Natriuretic Agents; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptive Agents, Female; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@]1([H])[C@@]1([H])[C@]3([H])[C@]4([H])C[C@]4([H])[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@]1([H])[C@@]1(C)CCC(=O)C=C21 13375 46507653 D03917 PA164749409 DAP001206 Drospirenone CHEMBL1509 11636 DB01395 Drospirenone BE0000557 PGR P06401 PRGR_HUMAN agonist 11024226; 16157482; 8922878; 17000933; 16291771; 15493951; 7625729 "Krattenmacher R: Drospirenone: pharmacology and pharmacokinetics of a unique progestogen. Contraception. 2000 Jul;62(1):29-38.@@Bray JD, Jelinsky S, Ghatge R, Bray JA, Tunkey C, Saraf K, Jacobsen BM, Richer JK, Brown EL, Winneker RC, Horwitz KB, Lyttle CR: Quantitative analysis of gene regulation by seven clinically relevant progestins suggests a highly similar mechanism of action through progesterone receptors in T47D breast cancer cells. J Steroid Biochem Mol Biol. 2005 Dec;97(4):328-41. Epub 2005 Sep 12.@@Fuhrmann U, Krattenmacher R, Slater EP, Fritzemeier KH: The novel progestin drospirenone and its natural counterpart progesterone: biochemical profile and antiandrogenic potential. Contraception. 1996 Oct;54(4):243-51.@@Arias-Loza PA, Hu K, Schafer A, Bauersachs J, Quaschning T, Galle J, Jazbutyte V, Neyses L, Ertl G, Fritzemeier KH, Hegele-Hartung C, Pelzer T: Medroxyprogesterone acetate but not drospirenone ablates the protective function of 17 beta-estradiol in aldosterone salt-treated rats. Hypertension. 2006 Nov;48(5):994-1001. Epub 2006 Sep 25.@@Sitruk-Ware R: New progestagens for contraceptive use. Hum Reprod Update. 2006 Mar-Apr;12(2):169-78. Epub 2005 Nov 16.@@Sitruk-Ware R: New progestogens: a review of their effects in perimenopausal and postmenopausal women. Drugs Aging. 2004;21(13):865-83.@@Muhn P, Fuhrmann U, Fritzemeier KH, Krattenmacher R, Schillinger E: Drospirenone: a novel progestogen with antimineralocorticoid and antiandrogenic activity. Ann N Y Acad Sci. 1995 Jun 12;761:311-35. doi: 10.1111/j.1749-6632.1995.tb31386.x." Approved Spironolactones and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones "Progesterone Congeners; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Progestins; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Fused-Ring Compounds; Adrenal Cortex Hormones; Diuretics; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Natriuretic Agents; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptive Agents, Female; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@]1([H])[C@@]1([H])[C@]3([H])[C@]4([H])C[C@]4([H])[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@]1([H])[C@@]1(C)CCC(=O)C=C21 13375 46507653 D03917 PA164749409 DAP001206 Drospirenone CHEMBL1509 11636 DB01395 Drospirenone BE0000794 NR3C1 P04150 GCR_HUMAN binder 11024226; 7625729 "Krattenmacher R: Drospirenone: pharmacology and pharmacokinetics of a unique progestogen. Contraception. 2000 Jul;62(1):29-38.@@Muhn P, Fuhrmann U, Fritzemeier KH, Krattenmacher R, Schillinger E: Drospirenone: a novel progestogen with antimineralocorticoid and antiandrogenic activity. Ann N Y Acad Sci. 1995 Jun 12;761:311-35. doi: 10.1111/j.1749-6632.1995.tb31386.x." Approved Spironolactones and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones "Progesterone Congeners; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Progestins; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Fused-Ring Compounds; Adrenal Cortex Hormones; Diuretics; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Natriuretic Agents; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptive Agents, Female; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@]1([H])[C@@]1([H])[C@]3([H])[C@]4([H])C[C@]4([H])[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@]1([H])[C@@]1(C)CCC(=O)C=C21 13375 46507653 D03917 PA164749409 DAP001206 Drospirenone CHEMBL1509 11636 DB01396 Digitoxin BE0000732 ATP1A1 P05023 AT1A1_HUMAN inhibitor 11309248; 123547; 131389; 132355; 136410; 19751721 "Chen JJ, Wang PS, Chien EJ, Wang SW: Direct inhibitory effect of digitalis on progesterone release from rat granulosa cells. Br J Pharmacol. 2001 Apr;132(8):1761-8.@@Marcus FI, Ryan JN, Stafford MG: The reactivity of derivatives of digoxin and digitoxin as measured by the Na-K-atpase displacement assay and by radioimmunoassay. J Lab Clin Med. 1975 Apr;85(4):610-20.@@Prignitz R, Frohlich D, Hoffmeister G: [Influence of roentgen rays on electrolyte changes and metabolism of the myocardium. VII. Radiation-induced inhibition of the sodium- and potassium--activated microscomal-trasport ATPase]. Strahlentherapie. 1976 Apr;151(4):356-65.@@Bluschke V, Bonn R, Greeff K: Increase in the (Na+ + K+)-ATPase activity in heart muscle after chronic treatment with digitoxin or potassium deficient diet. Eur J Pharmacol. 1976 May;37(1):189-91.@@Fricke U: [New aspects on the mode of action of cardiac glycosides]. Fortschr Med. 1976 Nov 11;94(32):1037-45.@@Hauck C, Potter T, Bartz M, Wittwer T, Wahlers T, Mehlhorn U, Scheiner-Bobis G, McDonough AA, Bloch W, Schwinger RH, Muller-Ehmsen J: Isoform specificity of cardiac glycosides binding to human Na+,K+-ATPase alpha1beta1, alpha2beta1 and alpha3beta1. Eur J Pharmacol. 2009 Nov 10;622(1-3):7-14. doi: 10.1016/j.ejphar.2009.08.039. Epub 2009 Sep 12." Approved; Investigational Cardenolide glycosides and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones "Glycosides; QTc Prolonging Agents; Enzyme Inhibitors; Carbohydrates; Cytochrome P-450 CYP3A Substrates; Protective Agents; Cardiac Glycosides; Cardiovascular Agents; Cytochrome P-450 Substrates; P-glycoprotein substrates; Steroids; Cardiotonic Agents; Fused-Ring Compounds; Potential QTc-Prolonging Agents; Cardanolides; Digitalis Glycosides; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cardenolides; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Narrow Therapeutic Index Drugs" [H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1 10107 46506035 D00297 PA449316 DAP000120 Digitoxin CHEMBL254219 3403 DB01403 Methotrimeprazine BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 15701205 "Green B, Pettit T, Faith L, Seaton K: Focus on levomepromazine. Curr Med Res Opin. 2004 Dec;20(12):1877-81." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Peripheral Nervous System Agents; Analgesics; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents" COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1 8029 46507223 D00403 PA164743234 Levomepromazine CHEMBL1764 6852 DB01403 Methotrimeprazine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 15701205 "Green B, Pettit T, Faith L, Seaton K: Focus on levomepromazine. Curr Med Res Opin. 2004 Dec;20(12):1877-81." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Peripheral Nervous System Agents; Analgesics; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents" COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1 8029 46507223 D00403 PA164743234 Levomepromazine CHEMBL1764 6852 DB01403 Methotrimeprazine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 2899826 "Hals PA, Hall H, Dahl SG: Muscarinic cholinergic and histamine H1 receptor binding of phenothiazine drug metabolites. Life Sci. 1988;43(5):405-12." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Peripheral Nervous System Agents; Analgesics; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents" COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1 8029 46507223 D00403 PA164743234 Levomepromazine CHEMBL1764 6852 DB01403 Methotrimeprazine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 2870716; 2899826 "Dahl SG, Hough E, Hals PA: Phenothiazine drugs and metabolites: molecular conformation and dopaminergic, alpha adrenergic and muscarinic cholinergic receptor binding. Biochem Pharmacol. 1986 Apr 15;35(8):1263-9.@@Hals PA, Hall H, Dahl SG: Muscarinic cholinergic and histamine H1 receptor binding of phenothiazine drug metabolites. Life Sci. 1988;43(5):405-12." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Peripheral Nervous System Agents; Analgesics; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents" COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1 8029 46507223 D00403 PA164743234 Levomepromazine CHEMBL1764 6852 DB01403 Methotrimeprazine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 2870716; 2899826 "Dahl SG, Hough E, Hals PA: Phenothiazine drugs and metabolites: molecular conformation and dopaminergic, alpha adrenergic and muscarinic cholinergic receptor binding. Biochem Pharmacol. 1986 Apr 15;35(8):1263-9.@@Hals PA, Hall H, Dahl SG: Muscarinic cholinergic and histamine H1 receptor binding of phenothiazine drug metabolites. Life Sci. 1988;43(5):405-12." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Peripheral Nervous System Agents; Analgesics; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents" COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1 8029 46507223 D00403 PA164743234 Levomepromazine CHEMBL1764 6852 DB01403 Methotrimeprazine BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 2870716; 2899826 "Dahl SG, Hough E, Hals PA: Phenothiazine drugs and metabolites: molecular conformation and dopaminergic, alpha adrenergic and muscarinic cholinergic receptor binding. Biochem Pharmacol. 1986 Apr 15;35(8):1263-9.@@Hals PA, Hall H, Dahl SG: Muscarinic cholinergic and histamine H1 receptor binding of phenothiazine drug metabolites. Life Sci. 1988;43(5):405-12." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Peripheral Nervous System Agents; Analgesics; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents" COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1 8029 46507223 D00403 PA164743234 Levomepromazine CHEMBL1764 6852 DB01403 Methotrimeprazine BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 15701205; 2870716 "Green B, Pettit T, Faith L, Seaton K: Focus on levomepromazine. Curr Med Res Opin. 2004 Dec;20(12):1877-81.@@Dahl SG, Hough E, Hals PA: Phenothiazine drugs and metabolites: molecular conformation and dopaminergic, alpha adrenergic and muscarinic cholinergic receptor binding. Biochem Pharmacol. 1986 Apr 15;35(8):1263-9." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Peripheral Nervous System Agents; Analgesics; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents" COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1 8029 46507223 D00403 PA164743234 Levomepromazine CHEMBL1764 6852 DB01404 Ginseng BE0003721 AHR P35869 AHR_HUMAN agonist 19022240 "Wang Y, Ye X, Ma Z, Liang Q, Lu B, Tan H, Xiao C, Zhang B, Gao Y: Induction of cytochrome P450 1A1 expression by ginsenoside Rg1 and Rb1 in HepG2 cells. Eur J Pharmacol. 2008 Dec 28;601(1-3):73-8. doi: 10.1016/j.ejphar.2008.10.057. Epub 2008 Nov 11." Investigational; Nutraceutical Plant Preparations; Biological Products; Viridiplantae; Angiosperms; Herbs and Natural Products; Eukaryota; Pharmaceutical Preparations; Plant Extracts; Complex Mixtures; Tracheophyta; Araliaceae; Embryophyta; Ginseng & Ginseng Extracts; Streptophyta 4461 46508934 PA164781150 Ginseng 325526 DB01406 Danazol BE0000123 ESR1 P03372 ESR1_HUMAN agonist 7540578; 2326286; 4039467; 11752352 "Fujimoto J, Hori M, Itoh T, Ichigo S, Nishigaki M, Tamaya T: Danazol decreases transcription of estrogen receptor gene in human monocytes. Gen Pharmacol. 1995 May;26(3):507-16.@@Snyder BW, Beecham GD, Winneker RC: Danazol suppression of luteinizing hormone in the rat: evidence for mediation by both androgen and estrogen receptors. Proc Soc Exp Biol Med. 1990 May;194(1):54-7.@@Sanfilippo JS, Barrows GH, Apkarian RP, Wittliff JL: Evaluation of danazol influence upon the uterus using scanning electron microscopic morphometric and biochemical analyses. Surg Gynecol Obstet. 1985 May;160(5):421-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Androgens; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Hyperglycemia-Associated Agents; Hormone Antagonists; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Estrogen Antagonists; Antigonadotropins and Similar Agents; Cytochrome P-450 CYP3A4 Inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A4 Inhibitors (strong); Pregnadienes; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3 2282 46506475 D00289 PA164749056 DAP001017 Danazol CHEMBL1479 3102 DB01406 Danazol BE0000132 AR P10275 ANDR_HUMAN agonist 2486535; 18061638; 10882672; 9593936; 2404115 "Donaldson VH: Danazol. Am J Med. 1989 Sep;87(3N):49N-55N.@@Sasagawa S, Shimizu Y, Kami H, Takeuchi T, Mita S, Imada K, Kato S, Mizuguchi K: Dienogest is a selective progesterone receptor agonist in transactivation analysis with potent oral endometrial activity due to its efficient pharmacokinetic profile. Steroids. 2008 Feb;73(2):222-31. Epub 2007 Oct 22.@@Gomez F, Ruiz P, Lopez R, Rivera C, Romero S, Bernal JA: Effects of androgen treatment on expression of macrophage Fcgamma receptors. Clin Diagn Lab Immunol. 2000 Jul;7(4):682-6.@@Roselli CE: The effect of anabolic-androgenic steroids on aromatase activity and androgen receptor binding in the rat preoptic area. Brain Res. 1998 May 11;792(2):271-6.@@Dmowski WP: Danazol. A synthetic steroid with diverse biologic effects. J Reprod Med. 1990 Jan;35(1 Suppl):69-74; discussion 74-5." Approved Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Androgens; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Hyperglycemia-Associated Agents; Hormone Antagonists; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Estrogen Antagonists; Antigonadotropins and Similar Agents; Cytochrome P-450 CYP3A4 Inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A4 Inhibitors (strong); Pregnadienes; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3 2282 46506475 D00289 PA164749056 DAP001017 Danazol CHEMBL1479 3102 DB01406 Danazol BE0000557 PGR P06401 PRGR_HUMAN agonist 17636649; 18061638; 8000225; 2404115 "Beaumont H, Augood C, Duckitt K, Lethaby A: Danazol for heavy menstrual bleeding. Cochrane Database Syst Rev. 2007 Jul 18;(3):CD001017.@@Sasagawa S, Shimizu Y, Kami H, Takeuchi T, Mita S, Imada K, Kato S, Mizuguchi K: Dienogest is a selective progesterone receptor agonist in transactivation analysis with potent oral endometrial activity due to its efficient pharmacokinetic profile. Steroids. 2008 Feb;73(2):222-31. Epub 2007 Oct 22.@@Huang HF, Wang M: [Effects of gossypol acetate, danazol, progesterone and GnRH-A on estrogen and progesterone receptors of human endometrial cells]. Zhongguo Zhong Xi Yi Jie He Za Zhi. 1994 Jun;14(6):352-3, 325.@@Dmowski WP: Danazol. A synthetic steroid with diverse biologic effects. J Reprod Med. 1990 Jan;35(1 Suppl):69-74; discussion 74-5." Approved Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Androgens; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Hyperglycemia-Associated Agents; Hormone Antagonists; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Estrogen Antagonists; Antigonadotropins and Similar Agents; Cytochrome P-450 CYP3A4 Inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A4 Inhibitors (strong); Pregnadienes; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3 2282 46506475 D00289 PA164749056 DAP001017 Danazol CHEMBL1479 3102 DB01406 Danazol BE0000203 GNRHR P30968 GNRHR_HUMAN negative modulator 14571621; 3004220; 14605254; 2404115 "Tian ZZ, Zhao H, Chen BY: [Effect of Chinese herbal medicine for nourishing yin and purging fire on mRNA expressions of gonadotropin-releasing hormone and its receptor in precocious puberty model rats]. Zhongguo Zhong Xi Yi Jie He Za Zhi. 2003 Sep;23(9):695-8.@@Menon M, Peegel H, Katta V: Inhibition of gonadotropin-releasing hormone receptors in rat anterior pituitary monolayer cell cultures by danazol. Am J Obstet Gynecol. 1986 Feb;154(2):367-72.@@Roth C, Hegemann F, Hildebrandt J, Balzer I, Witt A, Wuttke W, Jarry H: Pituitary and gonadal effects of GnRH (gonadotropin releasing hormone) analogues in two peripubertal female rat models. Pediatr Res. 2004 Jan;55(1):126-33. Epub 2003 Nov 6.@@Dmowski WP: Danazol. A synthetic steroid with diverse biologic effects. J Reprod Med. 1990 Jan;35(1 Suppl):69-74; discussion 74-5." Approved Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Androgens; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Hyperglycemia-Associated Agents; Hormone Antagonists; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Estrogen Antagonists; Antigonadotropins and Similar Agents; Cytochrome P-450 CYP3A4 Inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A4 Inhibitors (strong); Pregnadienes; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3 2282 46506475 D00289 PA164749056 DAP001017 Danazol CHEMBL1479 3102 DB01407 Clenbuterol BE0001012 ADRB3 P13945 ADRB3_HUMAN agonist 20590599 "Baker JG: The selectivity of beta-adrenoceptor agonists at human beta1-, beta2- and beta3-adrenoceptors. Br J Pharmacol. 2010 Jul;160(5):1048-61. doi: 10.1111/j.1476-5381.2010.00754.x." Approved; Investigational; Vet_approved Dichlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes "Adrenergic beta-Agonists; Selective Beta 2-adrenergic Agonists; Amines; Adrenergics for Systemic Use; Anti-Asthmatic Agents; Agents producing tachycardia; Autonomic Agents; Amino Alcohols; Agents to Treat Airway Disease; Alcohols; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Long-acting beta-adrenoceptor agonists; Adrenergic Agonists; Adrenergics, Inhalants; Sympathomimetics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethanolamines; Adrenergic Agents" CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(Cl)=C1 20239 46508373 PA164745640 DAP000945 Clenbuterol CHEMBL49080 2580 DB01407 Clenbuterol BE0001094 NGF P01138 NGF_HUMAN stimulator 10403429; 10525174; 10637819; 11146120; 11221812 "Culmsee C, Semkova I, Krieglstein J: NGF mediates the neuroprotective effect of the beta2-adrenoceptor agonist clenbuterol in vitro and in vivo: evidence from an NGF-antisense study. Neurochem Int. 1999 Jul;35(1):47-57.@@Semkova I, Krieglstein J: Neuroprotection mediated via neurotrophic factors and induction of neurotrophic factors. Brain Res Brain Res Rev. 1999 Aug;30(2):176-88.@@Puls I, Beck M, Giess R, Magnus T, Ochs G, Toyka KV: [Clenbuterol in amyotrophic lateral sclerosis. No indication for a positive effect]. Nervenarzt. 1999 Dec;70(12):1112-5.@@Samina Riaz S, Tomlinson DR: Pharmacological modulation of nerve growth factor synthesis: a mechanistic comparison of vitamin D receptor and beta(2)-adrenoceptor agonists. Brain Res Mol Brain Res. 2000 Dec 28;85(1-2):179-88.@@Riaz SS, Tomlinson DR: Clenbuterol stimulates neurotrophic support in streptozotocin-diabetic rats. Diabetes Obes Metab. 1999 Jan;1(1):43-51." Approved; Investigational; Vet_approved Dichlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes "Adrenergic beta-Agonists; Selective Beta 2-adrenergic Agonists; Amines; Adrenergics for Systemic Use; Anti-Asthmatic Agents; Agents producing tachycardia; Autonomic Agents; Amino Alcohols; Agents to Treat Airway Disease; Alcohols; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Long-acting beta-adrenoceptor agonists; Adrenergic Agonists; Adrenergics, Inhalants; Sympathomimetics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethanolamines; Adrenergic Agents" CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(Cl)=C1 20239 46508373 PA164745640 DAP000945 Clenbuterol CHEMBL49080 2580 DB01408 Bambuterol BE0002180 BCHE P06276 CHLE_HUMAN inhibitor 34269114; 1994894; 27744187; 8905251; 10839906 "Li S, Li AJ, Travers J, Xu T, Sakamuru S, Klumpp-Thomas C, Huang R, Xia M: Identification of Compounds for Butyrylcholinesterase Inhibition. SLAS Discov. 2021 Dec;26(10):1355-1364. doi: 10.1177/24725552211030897. Epub 2021 Jul 16.@@Tunek A, Hjertberg E, Mogensen JV: Interactions of bambuterol with human serum cholinesterase of the genotypes EuEu (normal), EaEa (atypical) and EuEa. Biochem Pharmacol. 1991 Feb 1;41(3):345-8. doi: 10.1016/0006-2952(91)90530-i.@@Wu J, Tian Y, Wang S, Pistolozzi M, Jin Y, Zhou T, Roy G, Xu L, Tan W: Design, synthesis and biological evaluation of bambuterol analogues as novel inhibitors of butyrylcholinesterase. Eur J Med Chem. 2017 Jan 27;126:61-71. doi: 10.1016/j.ejmech.2016.08.061. Epub 2016 Aug 26.@@Feldman S, Karalliedde L: Drug interactions with neuromuscular blockers. Drug Saf. 1996 Oct;15(4):261-73. doi: 10.2165/00002018-199615040-00004.@@Ostergaard D, Rasmussen SN, Viby-Mogensen J, Pedersen NA, Boysen R: The influence of drug-induced low plasma cholinesterase activity on the pharmacokinetics and pharmacodynamics of mivacurium. Anesthesiology. 2000 Jun;92(6):1581-7. doi: 10.1097/00000542-200006000-00014." Investigational Phenoxy compounds Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxy compounds Adrenergic beta-Agonists; Selective Beta 2-adrenergic Agonists; Amines; Adrenergics for Systemic Use; Anti-Asthmatic Agents; Agents producing tachycardia; Autonomic Agents; Amino Alcohols; Agents to Treat Airway Disease; Alcohols; Bronchodilator Agents; Prodrugs; Drugs for Obstructive Airway Diseases; Long-acting beta-adrenoceptor agonists; Adrenergic Agonists; Delayed-Action Preparations; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Adrenergic beta-2 Receptor Agonists; Ethanolamines CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C 46505785 D07377 PA164743113 DAP000250 Bambuterol CHEMBL521589 18751 DB01409 Tiotropium BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 11752352; 12582447; 11281822; 10188785 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Hansel TT, Barnes PJ: Tiotropium bromide: a novel once-daily anticholinergic bronchodilator for the treatment of COPD. Drugs Today (Barc). 2002 Sep;38(9):585-600.@@Barnes PJ: Tiotropium bromide. Expert Opin Investig Drugs. 2001 Apr;10(4):733-40.@@Barnes PJ, Belvisi MG, Mak JC, Haddad EB, O'Connor B: Tiotropium bromide (Ba 679 BR), a novel long-acting muscarinic antagonist for the treatment of obstructive airways disease. Life Sci. 1995;56(11-12):853-9." Approved Morpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines "Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Tropanes; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Scopolamine Derivatives; Adrenergics, Inhalants; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Muscarinic Antagonists; Neurotransmitter Agents" [H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1 13057 46504448 PA164769056 DAP000344 Tiotropium CHEMBL1900528 69120 DB01409 Tiotropium BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 12582447; 10188785 "Hansel TT, Barnes PJ: Tiotropium bromide: a novel once-daily anticholinergic bronchodilator for the treatment of COPD. Drugs Today (Barc). 2002 Sep;38(9):585-600.@@Barnes PJ, Belvisi MG, Mak JC, Haddad EB, O'Connor B: Tiotropium bromide (Ba 679 BR), a novel long-acting muscarinic antagonist for the treatment of obstructive airways disease. Life Sci. 1995;56(11-12):853-9." Approved Morpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines "Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Tropanes; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Scopolamine Derivatives; Adrenergics, Inhalants; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Muscarinic Antagonists; Neurotransmitter Agents" [H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1 13057 46504448 PA164769056 DAP000344 Tiotropium CHEMBL1900528 69120 DB01409 Tiotropium BE0000247 CHRM5 P08912 ACM5_HUMAN 21870878 "Glossop PA, Watson CA, Price DA, Bunnage ME, Middleton DS, Wood A, James K, Roberts D, Strang RS, Yeadon M, Perros-Huguet C, Clarke NP, Trevethick MA, Machin I, Stuart EF, Evans SM, Harrison AC, Fairman DA, Agoram B, Burrows JL, Feeder N, Fulton CK, Dillon BR, Entwistle DA, Spence FJ: Inhalation by design: novel tertiary amine muscarinic M(3) receptor antagonists with slow off-rate binding kinetics for inhaled once-daily treatment of chronic obstructive pulmonary disease. J Med Chem. 2011 Oct 13;54(19):6888-904. doi: 10.1021/jm200884j. Epub 2011 Sep 20." Approved Morpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines "Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Tropanes; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Scopolamine Derivatives; Adrenergics, Inhalants; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Muscarinic Antagonists; Neurotransmitter Agents" [H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1 13057 46504448 PA164769056 DAP000344 Tiotropium CHEMBL1900528 69120 DB01410 Ciclesonide BE0000794 NR3C1 P04150 GCR_HUMAN agonist 17530144 Barnes NC: The properties of inhaled corticosteroids: similarities and differences. Prim Care Respir J. 2007 Jun;16(3):149-54. Approved; Investigational "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Allergic Agents; Pregnenes; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Drugs for Obstructive Airway Diseases; Steroids; Nasal Preparations; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2D6 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Glucocorticoids; Adrenals; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@@H](O2)C1CCCCC1)C(=O)COC(=O)C(C)C 19961 46508553 D01703 PA164781399 DAP000423 Ciclesonide CHEMBL2040682 274964 DB01411 Pranlukast BE0001086 NFKB1 P19838 NFKB1_HUMAN other/unknown 12801315; 12801316 "Tomari S, Matsuse H, Machida I, Kondo Y, Kawano T, Obase Y, Fukushima C, Shimoda T, Kohno S: Pranlukast, a cysteinyl leukotriene receptor 1 antagonist, attenuates allergen-specific tumour necrosis factor alpha production and nuclear factor kappa B nuclear translocation in peripheral blood monocytes from atopic asthmatics. Clin Exp Allergy. 2003 Jun;33(6):795-801.@@Ichiyama T, Hasegawa S, Umeda M, Terai K, Matsubara T, Furukawa S: Pranlukast inhibits NF-kappa B activation in human monocytes/macrophages and T cells. Clin Exp Allergy. 2003 Jun;33(6):802-7." Investigational Chromones Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans "Leukotriene Antagonists; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Anti-Asthmatic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Drugs for Obstructive Airway Diseases; Hormone Antagonists; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Inhibitors; Hormones, Hormone Substitutes, and Hormone Antagonists" O=C(NC1=C2OC(=CC(=O)C2=CC=C1)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1 46508129 PA134698661 DAP000977 Pranlukast CHEMBL21333 DB01411 Pranlukast BE0004903 NFKB2 P19838 NFKB1_HUMAN inhibitor 12801316 "Ichiyama T, Hasegawa S, Umeda M, Terai K, Matsubara T, Furukawa S: Pranlukast inhibits NF-kappa B activation in human monocytes/macrophages and T cells. Clin Exp Allergy. 2003 Jun;33(6):802-7." Investigational Chromones Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans "Leukotriene Antagonists; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Anti-Asthmatic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Drugs for Obstructive Airway Diseases; Hormone Antagonists; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Inhibitors; Hormones, Hormone Substitutes, and Hormone Antagonists" O=C(NC1=C2OC(=CC(=O)C2=CC=C1)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1 46508129 PA134698661 DAP000977 Pranlukast CHEMBL21333 DB01412 Theobromine BE0000924 ADORA2A P29274 AA2AR_HUMAN antagonist 12602592; 17558310; 17577101; 17616786; 15095008; 3588607 "Chou CC, Vickroy TW: Antagonism of adenosine receptors by caffeine and caffeine metabolites in equine forebrain tissues. Am J Vet Res. 2003 Feb;64(2):216-24.@@Riksen NP, Franke B, van den Broek P, Smits P, Rongen GA: The 1976C>T polymorphism in the adenosine A2A receptor gene does not affect the vasodilator response to adenosine in humans in vivo. Pharmacogenet Genomics. 2007 Jul;17(7):551-4.@@Zhao G, Messina E, Xu X, Ochoa M, Sun HL, Leung K, Shryock J, Belardinelli L, Hintze TH: Caffeine attenuates the duration of coronary vasodilation and changes in hemodynamics induced by regadenoson (CVT-3146), a novel adenosine A2A receptor agonist. J Cardiovasc Pharmacol. 2007 Jun;49(6):369-75.@@Cornelis MC, El-Sohemy A, Campos H: Genetic polymorphism of the adenosine A2A receptor is associated with habitual caffeine consumption. Am J Clin Nutr. 2007 Jul;86(1):240-4.@@Fisone G, Borgkvist A, Usiello A: Caffeine as a psychomotor stimulant: mechanism of action. Cell Mol Life Sci. 2004 Apr;61(7-8):857-72.@@Daly JW, Jacobson KA, Ukena D: Adenosine receptors: development of selective agonists and antagonists. Prog Clin Biol Res. 1987;230:41-63." Investigational Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Anti-Asthmatic Agents; Autonomic Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Low-Ceiling Diuretics, Excl. Thiazides; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Cytochrome P-450 CYP2E1 Substrates; Heterocyclic Compounds, Fused-Ring; Diuretics; Vasodilating Agents; Purinones; Respiratory System Agents; Peripheral Nervous System Agents; Xanthine derivatives; Cytochrome P-450 CYP1A2 Substrates" CN1C=NC2=C1C(=O)NC(=O)N2C Caffeine Metabolism metabolic 46508574 PA451646 Theobromine CHEMBL1114 10437 DB01412 Theobromine BE0000487 PDE4B Q07343 PDE4B_HUMAN inhibitor 11692087; 15095008; 17514358; 18568240 "Essayan DM: Cyclic nucleotide phosphodiesterases. J Allergy Clin Immunol. 2001 Nov;108(5):671-80.@@Fisone G, Borgkvist A, Usiello A: Caffeine as a psychomotor stimulant: mechanism of action. Cell Mol Life Sci. 2004 Apr;61(7-8):857-72.@@Daly JW: Caffeine analogs: biomedical impact. Cell Mol Life Sci. 2007 Aug;64(16):2153-69.@@Deree J, Martins JO, Melbostad H, Loomis WH, Coimbra R: Insights into the regulation of TNF-alpha production in human mononuclear cells: the effects of non-specific phosphodiesterase inhibition. Clinics (Sao Paulo). 2008 Jun;63(3):321-8." Investigational Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Anti-Asthmatic Agents; Autonomic Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Low-Ceiling Diuretics, Excl. Thiazides; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Cytochrome P-450 CYP2E1 Substrates; Heterocyclic Compounds, Fused-Ring; Diuretics; Vasodilating Agents; Purinones; Respiratory System Agents; Peripheral Nervous System Agents; Xanthine derivatives; Cytochrome P-450 CYP1A2 Substrates" CN1C=NC2=C1C(=O)NC(=O)N2C Caffeine Metabolism metabolic 46508574 PA451646 Theobromine CHEMBL1114 10437 DB01420 Testosterone propionate BE0000132 AR P10275 ANDR_HUMAN agonist 17084172; 17086931; 17128417; 17202804; 17322500; 12604714 "Small EJ, Ryan CJ: The case for secondary hormonal therapies in the chemotherapy age. J Urol. 2006 Dec;176(6 Pt 2):S66-71.@@Omwancha J, Brown TR: Selective androgen receptor modulators: in pursuit of tissue-selective androgens. Curr Opin Investig Drugs. 2006 Oct;7(10):873-81.@@Petraki CD, Sfikas CP: Histopathological changes induced by therapies in the benign prostate and prostate adenocarcinoma. Histol Histopathol. 2007 Jan;22(1):107-18.@@Maudsley S, Davidson L, Pawson AJ, Freestone SH, Lopez de Maturana R, Thomson AA, Millar RP: Gonadotropin-releasing hormone functionally antagonizes testosterone activation of the human androgen receptor in prostate cells through focal adhesion complexes involving Hic-5. Neuroendocrinology. 2006;84(5):285-300. Epub 2007 Jan 4.@@Lapauw B, Goemaere S, Crabbe P, Kaufman JM, Ruige JB: Is the effect of testosterone on body composition modulated by the androgen receptor gene CAG repeat polymorphism in elderly men? Eur J Endocrinol. 2007 Mar;156(3):395-401.@@Yin D, Gao W, Kearbey JD, Xu H, Chung K, He Y, Marhefka CA, Veverka KA, Miller DD, Dalton JT: Pharmacodynamics of selective androgen receptor modulators. J Pharmacol Exp Ther. 2003 Mar;304(3):1334-40." Approved; Investigational; Vet_approved; Withdrawn Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Androgens; Androstenols; UGT1A1 Inducers; Cytochrome P-450 CYP3A Substrates; COMT Inhibitors; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Steroids; P-glycoprotein substrates; Hormones; Fused-Ring Compounds; Gonadal Hormones; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Testosterone and derivatives; Gonadal Steroid Hormones; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7488 46508693 D00959 PA164751373 Testosterone_propionate CHEMBL1170 10382 DB01422 Nitroxoline BE0001534 METAP2 P50579 MAP2_HUMAN inhibitor 21088277 "Shim JS, Matsui Y, Bhat S, Nacev BA, Xu J, Bhang HE, Dhara S, Han KC, Chong CR, Pomper MG, So A, Liu JO: Effect of nitroxoline on angiogenesis and growth of human bladder cancer. J Natl Cancer Inst. 2010 Dec 15;102(24):1855-73. doi: 10.1093/jnci/djq457. Epub 2010 Nov 18." Experimental Nitroquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Nitroquinolines and derivatives "Anti-Infective Agents; Nitro Compounds; Heterocyclic Compounds, Fused-Ring; Antifungal Agents; Antibacterials for Systemic Use; Quinolines; Antiinfectives for Systemic Use; Anti-Infective Agents, Urinary" OC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O 46505497 PA164754993 Nitroxoline CHEMBL1454910 31901 DB01427 Amrinone BE0009963 PDE4A Q08499 PDE4D_HUMAN inhibitor 14577594 "Abdollahi M, Chan TS, Subrahmanyam V, O'Brien PJ: Effects of phosphodiesterase 3,4,5 inhibitors on hepatocyte cAMP levels, glycogenolysis, gluconeogenesis and susceptibility to a mitochondrial toxin. Mol Cell Biochem. 2003 Oct;252(1-2):205-11. doi: 10.1023/a:1025568714217." Approved Bipyridines and oligopyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines "Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Amines; Aminopyridines; Cardiac Therapy; Enzyme Inhibitors; Phosphodiesterase 3 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Protective Agents; Pyridines; Compounds used in a research, industrial, or household setting; Drugs that are Mainly Renally Excreted; Tumor Necrosis Factor Blockers; Membrane Transport Modulators; Phosphodiesterase Inhibitors; Cardiotonic Agents" NC1=CC(=CNC1=O)C1=CC=NC=C1 13165 46504647 D00231 PA164746803 DAP001392 Amrinone CHEMBL12856 738 DB01427 Amrinone BE0000436 PDE3A Q14432 PDE3A_HUMAN inhibitor 11752352; 12076859; 19901885; 18468627 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kobayashi T, Sugawara Y, Ohkubo T, Imamura H, Makuuchi M: Effects of amrinone on hepatic ischemia-reperfusion injury in rats. J Hepatol. 2002 Jul;37(1):31-8.@@Ko Y, Morita K, Nagahori R, Kinouchi K, Shinohara G, Kagawa H, Hashimoto K: Myocardial cyclic AMP augmentation with high-dose PDEIII inhibitor in terminal warm blood cardioplegia. Ann Thorac Cardiovasc Surg. 2009 Oct;15(5):311-7.@@Kucuk C, Akcan A, Akyyldyz H, Akgun H, Muhtaroglu S, Sozuer E: Effects of amrinone in an experimental model of hepatic ischemia-reperfusion injury. J Surg Res. 2009 Jan;151(1):74-9. doi: 10.1016/j.jss.2008.02.008. Epub 2008 Mar 13." Approved Bipyridines and oligopyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines "Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Amines; Aminopyridines; Cardiac Therapy; Enzyme Inhibitors; Phosphodiesterase 3 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Protective Agents; Pyridines; Compounds used in a research, industrial, or household setting; Drugs that are Mainly Renally Excreted; Tumor Necrosis Factor Blockers; Membrane Transport Modulators; Phosphodiesterase Inhibitors; Cardiotonic Agents" NC1=CC(=CNC1=O)C1=CC=NC=C1 13165 46504647 D00231 PA164746803 DAP001392 Amrinone CHEMBL12856 738 DB01427 Amrinone BE0001223 PDE3B Q13370 PDE3B_HUMAN inhibitor 19060915; 17332439; 24930515 "Rao YJ, Xi L: Pivotal effects of phosphodiesterase inhibitors on myocyte contractility and viability in normal and ischemic hearts. Acta Pharmacol Sin. 2009 Jan;30(1):1-24. doi: 10.1038/aps.2008.1. Epub 2008 Dec 8.@@Yan C, Miller CL, Abe J: Regulation of phosphodiesterase 3 and inducible cAMP early repressor in the heart. Circ Res. 2007 Mar 2;100(4):489-501. doi: 10.1161/01.RES.0000258451.44949.d7.@@Zywert A, Szkudelska K, Szkudelski T: Inhibition of phosphodiesterase 3B in insulin-secreting cells of normal and streptozocin-nicotinamide-induced diabetic rats: implications for insulin secretion. J Physiol Pharmacol. 2014 Jun;65(3):425-33." Approved Bipyridines and oligopyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines "Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Amines; Aminopyridines; Cardiac Therapy; Enzyme Inhibitors; Phosphodiesterase 3 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Protective Agents; Pyridines; Compounds used in a research, industrial, or household setting; Drugs that are Mainly Renally Excreted; Tumor Necrosis Factor Blockers; Membrane Transport Modulators; Phosphodiesterase Inhibitors; Cardiotonic Agents" NC1=CC(=CNC1=O)C1=CC=NC=C1 13165 46504647 D00231 PA164746803 DAP001392 Amrinone CHEMBL12856 738 DB01428 Oxybenzone BE0000557 PGR P06401 PRGR_HUMAN antagonist 15537743 "Schreurs RH, Sonneveld E, Jansen JH, Seinen W, van der Burg B: Interaction of polycyclic musks and UV filters with the estrogen receptor (ER), androgen receptor (AR), and progesterone receptor (PR) in reporter gene bioassays. Toxicol Sci. 2005 Feb;83(2):264-72. Epub 2004 Nov 10." Approved; Investigational Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones "Radiation-Protective Agents; Ketones; Sunscreen Agents; Protective Agents; Dermatologicals; Drugs that are Mainly Renally Excreted; Benzene Derivatives; Cosmetics; Compounds used in a research, industrial, or household setting" COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1 33 46508419 D05309 PA164742933 Oxybenzone CHEMBL1625 32673 DB01428 Oxybenzone BE0000132 AR P10275 ANDR_HUMAN antagonist 15537743; 15950433 "Schreurs RH, Sonneveld E, Jansen JH, Seinen W, van der Burg B: Interaction of polycyclic musks and UV filters with the estrogen receptor (ER), androgen receptor (AR), and progesterone receptor (PR) in reporter gene bioassays. Toxicol Sci. 2005 Feb;83(2):264-72. Epub 2004 Nov 10.@@Araki N, Ohno K, Nakai M, Takeyoshi M, Iida M: Screening for androgen receptor activities in 253 industrial chemicals by in vitro reporter gene assays using AR-EcoScreen cells. Toxicol In Vitro. 2005 Sep;19(6):831-42." Approved; Investigational Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones "Radiation-Protective Agents; Ketones; Sunscreen Agents; Protective Agents; Dermatologicals; Drugs that are Mainly Renally Excreted; Benzene Derivatives; Cosmetics; Compounds used in a research, industrial, or household setting" COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1 33 46508419 D05309 PA164742933 Oxybenzone CHEMBL1625 32673 DB01428 Oxybenzone BE0000123 ESR1 P03372 ESR1_HUMAN 16079615 "Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52." Approved; Investigational Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones "Radiation-Protective Agents; Ketones; Sunscreen Agents; Protective Agents; Dermatologicals; Drugs that are Mainly Renally Excreted; Benzene Derivatives; Cosmetics; Compounds used in a research, industrial, or household setting" COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1 33 46508419 D05309 PA164742933 Oxybenzone CHEMBL1625 32673 DB01428 Oxybenzone BE0000792 ESR2 Q92731 ESR2_HUMAN 16079615 "Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52." Approved; Investigational Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones "Radiation-Protective Agents; Ketones; Sunscreen Agents; Protective Agents; Dermatologicals; Drugs that are Mainly Renally Excreted; Benzene Derivatives; Cosmetics; Compounds used in a research, industrial, or household setting" COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1 33 46508419 D05309 PA164742933 Oxybenzone CHEMBL1625 32673 DB01430 Almitrine BE0000732 ATP1A1 P05023 AT1A1_HUMAN binder 2144185; 2165421; 2527061; 8099718; 11752352 "Rigoulet M: Control processes in oxidative phosphorylation: kinetic constraints and stoichiometry. Biochim Biophys Acta. 1990 Jul 25;1018(2-3):185-9.@@Rigoulet M, Fraisse L, Ouhabi R, Guerin B, Fontaine E, Leverve X: Flux-dependent increase in the stoichiometry of charge translocation by mitochondrial ATPase/ATP synthase induced by almitrine. Biochim Biophys Acta. 1990 Jul 17;1018(1):91-7.@@Rigoulet M, Ouhabi R, Leverve X, Putod-Paramelle F, Guerin B: Almitrine, a new kind of energy-transduction inhibitor acting on mitochondrial ATP synthase. Biochim Biophys Acta. 1989 Aug 3;975(3):325-9.@@Benzi G, Gorini A, Ghigini B, Arnaboldi R, Villa RF: Synaptosomal non-mitochondrial ATPase activities and drug treatment. Neurochem Res. 1993 Jun;18(6):719-26.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Secologanin Tryptamine Alkaloids; Heterocyclic Compounds, Fused-Ring; Pharmaceutical Preparations; Central Nervous System Agents; Piperazines; Indolizidines; Indole Alkaloids; Triazines; Alkaloids; Protective Agents; Indolizines; Respiratory System Agents; Indoles; Neuroprotective Agents; Compounds used in a research, industrial, or household setting" FC1=CC=C(C=C1)C(N1CCN(CC1)C1=NC(NCC=C)=NC(NCC=C)=N1)C1=CC=C(F)C=C1 46505517 D07126 PA164750492 DAP000468 Almitrine CHEMBL1183717 528 DB01431 Allylestrenol BE0000557 PGR P06401 PRGR_HUMAN agonist 17013809; 17015480; 17109827; 17138644; 17169175; 3928974 "Madauss KP, Stewart EL, Williams SP: The evolution of progesterone receptor ligands. Med Res Rev. 2007 May;27(3):374-400.@@Gizard F, Robillard R, Gross B, Barbier O, Revillion F, Peyrat JP, Torpier G, Hum DW, Staels B: TReP-132 is a novel progesterone receptor coactivator required for the inhibition of breast cancer cell growth and enhancement of differentiation by progesterone. Mol Cell Biol. 2006 Oct;26(20):7632-44.@@Wu HB, Fabian S, Jenab S, Quinones-Jenab V: Progesterone receptors activation after acute cocaine administration. Brain Res. 2006 Dec 18;1126(1):188-92. Epub 2006 Nov 15.@@Boonyaratanakornkit V, McGowan E, Sherman L, Mancini MA, Cheskis BJ, Edwards DP: The role of extranuclear signaling actions of progesterone receptor in mediating progesterone regulation of gene expression and the cell cycle. Mol Endocrinol. 2007 Feb;21(2):359-75. Epub 2006 Nov 30.@@Tranguch S, Smith DF, Dey SK: Progesterone receptor requires a co-chaperone for signalling in uterine biology and implantation. Reprod Biomed Online. 2006 Nov;13(5):651-60.@@Bergink EW, Loonen PB, Kloosterboer HJ: Receptor binding of allylestrenol, a progestagen of the 19-nortestosterone series without androgenic properties. J Steroid Biochem. 1985 Aug;23(2):165-8." Experimental Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Fused-Ring Compounds; Progestins; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Estranes; Cytochrome P-450 CYP3A Substrates; Hormones; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A4 Substrates; Steroids; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Estren Derivatives; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H] 46506946 D01374 PA164745307 DPR000085 Allylestrenol CHEMBL3185133 525 DB01431 Allylestrenol BE0000123 ESR1 P03372 ESR1_HUMAN agonist 17103262; 17118173; 17203775; 17341305; 17415709; 8820988 "Kumar AS, Cureton E, Shim V, Sakata T, Moore DH, Benz CC, Esserman LJ, Hwang ES: Type and duration of exogenous hormone use affects breast cancer histology. Ann Surg Oncol. 2007 Feb;14(2):695-703. Epub 2006 Nov 14.@@Lessey BA, Palomino WA, Apparao KB, Young SL, Lininger RA: Estrogen receptor-alpha (ER-alpha) and defects in uterine receptivity in women. Reprod Biol Endocrinol. 2006;4 Suppl 1:S9.@@Yuri T, Tsukamoto R, Uehara N, Matsuoka Y, Tsubura A: Effects of different durations of estrogen and progesterone treatment on development of N-methyl-N-nitrosourea-induced mammary carcinomas in female Lewis rats. In Vivo. 2006 Nov-Dec;20(6B):829-36.@@Montero Girard G, Vanzulli SI, Cerliani JP, Bottino MC, Bolado J, Vela J, Becu-Villalobos D, Benavides F, Gutkind S, Patel V, Molinolo A, Lanari C: Association of estrogen receptor-alpha and progesterone receptor A expression with hormonal mammary carcinogenesis: role of the host microenvironment. Breast Cancer Res. 2007;9(2):R22.@@Ghebeh H, Tulbah A, Mohammed S, Elkum N, Bin Amer SM, Al-Tweigeri T, Dermime S: Expression of B7-H1 in breast cancer patients is strongly associated with high proliferative Ki-67-expressing tumor cells. Int J Cancer. 2007 Aug 15;121(4):751-8.@@Csaba G, Gonda AI, Karabelyos C: Contraceptive treatment increases the affinity of uterine estrogen receptor in adult rat: perinatal gestagen treatment changes the reaction. Horm Metab Res. 1996 Jan;28(1):16-9." Experimental Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Fused-Ring Compounds; Progestins; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Estranes; Cytochrome P-450 CYP3A Substrates; Hormones; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A4 Substrates; Steroids; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Estren Derivatives; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H] 46506946 D01374 PA164745307 DPR000085 Allylestrenol CHEMBL3185133 525 DB01433 Methadyl acetate BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 20163389; 6268422; 19153939; 11752352 "Mancino MJ, McGaugh J, Feldman Z, Poling J, Oliveto A: Effect of PTSD diagnosis and contingency management procedures on cocaine use in dually cocaine- and opioid-dependent individuals maintained on LAAM: a retrospective analysis. Am J Addict. 2010 Mar-Apr;19(2):169-77. doi: 10.1111/j.1521-0391.2009.00025.x.@@Walczak SA, Makman MH, Gardner EL: Acetylmethadol metabolites influence opiate receptors and adenylate cyclase in amygdala. Eur J Pharmacol. 1981 Jul 10;72(4):343-9.@@Wolstein J, Gastpar M, Finkbeiner T, Heinrich C, Heitkamp R, Poehlke T, Scherbaum N: A randomized, open-label trial comparing methadone and Levo-Alpha-Acetylmethadol (LAAM) in maintenance treatment of opioid addiction. Pharmacopsychiatry. 2009 Jan;42(1):1-8. doi: 10.1055/s-0028-1083818. Epub 2009 Jan 19.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental; Illicit Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Sensory System Agents; Ketones; Central Nervous System Agents; Central Nervous System Depressants; Narcotics; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Peripheral Nervous System Agents; Analgesics; Opioids CCC(OC(C)=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 Methadyl Acetate Action Pathway drug_action 46505532 PA164746889 DAP001137 Acetylmethadol CHEMBL170179 6814 DB01436 Alfacalcidol BE0000779 VDR P11473 VDR_HUMAN agonist 15503649; 11752352; 20435140 "Reinhart GA: Vitamin D analogs: novel therapeutic agents for cardiovascular disease? Curr Opin Investig Drugs. 2004 Sep;5(9):947-51.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Fujishima T, Tsuji G, Tanaka C, Harayama H: Novel vitamin D receptor ligands having a carboxyl group as an anchor to arginine 274 in the ligand-binding domain. J Steroid Biochem Mol Biol. 2010 Jul;121(1-2):60-2. doi: 10.1016/j.jsbmb.2010.04.020. Epub 2010 May 6." Approved; Nutraceutical Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives Cholestanes; Fused-Ring Compounds; Sterols; Vitamins; Drugs Affecting Bone Structure and Mineralization; Musculo-Skeletal System; Vitamins (Fat Soluble); Vitamin D and Analogues; Bone Density Conservation Agents; Lipids; Cholestenes; Steroids; Membrane Lipids; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases; Secosteroids CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C 4892 46505115 D01518 PA164746469 Alfacalcidol CHEMBL1601669 12062 DB01436 Alfacalcidol BE0000412 RXRA P19793 RXRA_HUMAN 20947021 "Zhang J, Chalmers MJ, Stayrook KR, Burris LL, Garcia-Ordonez RD, Pascal BD, Burris TP, Dodge JA, Griffin PR: Hydrogen/deuterium exchange reveals distinct agonist/partial agonist receptor dynamics within vitamin D receptor/retinoid X receptor heterodimer. Structure. 2010 Oct 13;18(10):1332-41. doi: 10.1016/j.str.2010.07.007." Approved; Nutraceutical Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives Cholestanes; Fused-Ring Compounds; Sterols; Vitamins; Drugs Affecting Bone Structure and Mineralization; Musculo-Skeletal System; Vitamins (Fat Soluble); Vitamin D and Analogues; Bone Density Conservation Agents; Lipids; Cholestenes; Steroids; Membrane Lipids; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases; Secosteroids CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C 4892 46505115 D01518 PA164746469 Alfacalcidol CHEMBL1601669 12062 DB01437 Glutethimide BE0000795 GABRA1 P14867 GBRA1_HUMAN agonist 6318143 "Skerritt JH, Johnston GA: Interactions of some anaesthetic, convulsant, and anticonvulsant drugs at GABA-benzodiazepine receptor-ionophore complexes in rat brain synaptosomal membranes. Neurochem Res. 1983 Oct;8(10):1351-62." Approved; Illicit Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines Piperidones; Piperidines; Piperidinedione Derivatives; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Nervous System; Psycholeptics CCC1(CCC(=O)NC1=O)C1=CC=CC=C1 46506283 D00532 PA164749505 DAP001305 Glutethimide CHEMBL1102 4903 DB01439 3-Methylthiofentanyl BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 15589524; 16114980; 16332149; 16376082; 16797997; 11752352; 19403616 "You HJ, Colpaert FC, Arendt-Nielsen L: The novel analgesic and high-efficacy 5-HT1A receptor agonist F 13640 inhibits nociceptive responses, wind-up, and after-discharges in spinal neurons and withdrawal reflexes. Exp Neurol. 2005 Jan;191(1):174-83.@@Scott LJ, Perry CM: Remifentanil: a review of its use during the induction and maintenance of general anaesthesia. Drugs. 2005;65(13):1793-823.@@Scott LJ, Perry CM: Spotlight on remifentanil for general anaesthesia. CNS Drugs. 2005;19(12):1069-74.@@Dosen-Micovic L, Ivanovic M, Micovic V: Steric interactions and the activity of fentanyl analogs at the mu-opioid receptor. Bioorg Med Chem. 2006 May 1;14(9):2887-95. Epub 2006 Jan 11.@@Dardonville C, Fernandez-Fernandez C, Gibbons SL, Ryan GJ, Jagerovic N, Gabilondo AM, Meana JJ, Callado LF: Synthesis and pharmacological studies of new hybrid derivatives of fentanyl active at the mu-opioid receptor and I2-imidazoline binding sites. Bioorg Med Chem. 2006 Oct 1;14(19):6570-80. Epub 2006 Jun 23.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Hajiha M, DuBord MA, Liu H, Horner RL: Opioid receptor mechanisms at the hypoglossal motor pool and effects on tongue muscle activity in vivo. J Physiol. 2009 Jun 1;587(Pt 11):2677-92. doi: 10.1113/jphysiol.2009.171678. Epub 2009 Apr 29." Experimental; Illicit Anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides CCC(=O)N(C1CCN(CCC2=CC=CS2)CC1C)C1=CC=CC=C1 3-Methylthiofentanyl Action Pathway drug_action 46506995 3-Methylthiofentanyl CHEMBL2365680 DB01439 3-Methylthiofentanyl BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 15665994; 15828941; 15868528; 16372825; 16861092; 19403616 "Rodrigues AR, Castro MS, Francischi JN, Perez AC, Duarte ID: Participation of ATP-sensitive K+ channels in the peripheral antinociceptive effect of fentanyl in rats. Braz J Med Biol Res. 2005 Jan;38(1):91-7. Epub 2005 Jan 18.@@Poonawala T, Levay-Young BK, Hebbel RP, Gupta K: Opioids heal ischemic wounds in the rat. Wound Repair Regen. 2005 Mar-Apr;13(2):165-74.@@Sahin AS, Duman A, Atalik EK, Ogun CO, Sahin TK, Erol A, Ozergin U: The mechanisms of the direct vascular effects of fentanyl on isolated human saphenous veins in vitro. J Cardiothorac Vasc Anesth. 2005 Apr;19(2):197-200.@@Darwish M, Tempero K, Kirby M, Thompson J: Pharmacokinetics and dose proportionality of fentanyl effervescent buccal tablets in healthy volunteers. Clin Pharmacokinet. 2005;44(12):1279-86.@@Darwish M, Kirby M, Robertson P Jr, Tracewell W, Jiang JG: Pharmacokinetic properties of fentanyl effervescent buccal tablets: a phase I, open-label, crossover study of single-dose 100, 200, 400, and 800 microg in healthy adult volunteers. Clin Ther. 2006 May;28(5):707-14.@@Hajiha M, DuBord MA, Liu H, Horner RL: Opioid receptor mechanisms at the hypoglossal motor pool and effects on tongue muscle activity in vivo. J Physiol. 2009 Jun 1;587(Pt 11):2677-92. doi: 10.1113/jphysiol.2009.171678. Epub 2009 Apr 29." Experimental; Illicit Anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides CCC(=O)N(C1CCN(CCC2=CC=CS2)CC1C)C1=CC=CC=C1 3-Methylthiofentanyl Action Pathway drug_action 46506995 3-Methylthiofentanyl CHEMBL2365680 DB01440 gamma-Hydroxybutyric acid BE0004841 SLC52A2 Q9HAB3 S52A2_HUMAN agonist 12098579; 14535954 "Castelli MP, Mocci I, Pistis M, Peis M, Berta D, Gelain A, Gessa GL, Cignarella G: Stereoselectivity of NCS-382 binding to gamma-hydroxybutyrate receptor in the rat brain. Eur J Pharmacol. 2002 Jun 20;446(1-3):1-5.@@Castelli MP, Ferraro L, Mocci I, Carta F, Carai MA, Antonelli T, Tanganelli S, Cignarella G, Gessa GL: Selective gamma-hydroxybutyric acid receptor ligands increase extracellular glutamate in the hippocampus, but fail to activate G protein and to produce the sedative/hypnotic effect of gamma-hydroxybutyric acid. J Neurochem. 2003 Nov;87(3):722-32." Approved; Illicit; Investigational "Adjuvants, Anesthesia; Fatty Acids, Volatile; Hydroxybutyrates; Anesthetics, General; Central Nervous System Agents; Central Nervous System Depressants; Hydroxy Acids; Anesthetics, Intravenous; Central Nervous System Depression; Lipids; Anesthetics; Acids, Acyclic; Fatty Acids; Decreased Central Nervous System Organized Electrical Activity; Butyrates" OCCCC(O)=O 23850 46507548 PA10819 DAP001522 Gamma-Hydroxybutyric_acid CHEMBL1342 2387302 DB01440 gamma-Hydroxybutyric acid BE0002344 GABRB1 P18505 GBRB1_HUMAN agonist 15745703 "Maitre M, Humbert JP, Kemmel V, Aunis D, Andriamampandry C: [A mechanism for gamma-hydroxybutyrate (GHB) as a drug and a substance of abuse]. Med Sci (Paris). 2005 Mar;21(3):284-9." Approved; Illicit; Investigational "Adjuvants, Anesthesia; Fatty Acids, Volatile; Hydroxybutyrates; Anesthetics, General; Central Nervous System Agents; Central Nervous System Depressants; Hydroxy Acids; Anesthetics, Intravenous; Central Nervous System Depression; Lipids; Anesthetics; Acids, Acyclic; Fatty Acids; Decreased Central Nervous System Organized Electrical Activity; Butyrates" OCCCC(O)=O 23850 46507548 PA10819 DAP001522 Gamma-Hydroxybutyric_acid CHEMBL1342 2387302 DB01442 MMDA BE0004674 SLC18A1 P54219 VMAT1_HUMAN inhibitor 15955613; 9587917; 17209801 "Sulzer D, Sonders MS, Poulsen NW, Galli A: Mechanisms of neurotransmitter release by amphetamines: a review. Prog Neurobiol. 2005 Apr;75(6):406-33.@@Henry JP, Sagne C, Bedet C, Gasnier B: The vesicular monoamine transporter: from chromaffin granule to brain. Neurochem Int. 1998 Mar;32(3):227-46.@@Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98." Experimental; Illicit Benzodioxoles Organic compounds; Organoheterocyclic compounds; Benzodioxoles Amphetamines; Serotonin Agents; Amines; Central Nervous System Depressants; Phenethylamines; Serotonin Receptor Agonists; Sympathomimetics; Agents that produce hypertension; Agents producing tachycardia; Ethylamines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates; Serotonin 5-HT2 Receptor Agonists COC1=CC(CC(C)N)=CC2=C1OCO2 46506802 MMDA_%28psychedelic%29 CHEMBL126506 DB01444 Dimethylthiambutene BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 17139284; 17016423; 13651575 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@GREEN AF: Comparative effects of analgesics on pain threshold, respiratory frequency and gastrointestinal propulsion. Br J Pharmacol Chemother. 1959 Mar;14(1):26-34." Experimental; Illicit Heteroaromatic compounds Organic compounds; Organoheterocyclic compounds; Heteroaromatic compounds CC(C=C(C1=CC=CS1)C1=CC=CS1)N(C)C Dimethylthiambutene Action Pathway drug_action 46505069 Dimethylthiambutene CHEMBL2106265 DB01444 Dimethylthiambutene BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental; Illicit Heteroaromatic compounds Organic compounds; Organoheterocyclic compounds; Heteroaromatic compounds CC(C=C(C1=CC=CS1)C1=CC=CS1)N(C)C Dimethylthiambutene Action Pathway drug_action 46505069 Dimethylthiambutene CHEMBL2106265 DB01452 Diamorphine BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 12902992; 15013161; 15937104; 15986196; 16580639 "Greenwald MK, Johanson CE, Moody DE, Woods JH, Kilbourn MR, Koeppe RA, Schuster CR, Zubieta JK: Effects of buprenorphine maintenance dose on mu-opioid receptor availability, plasma concentrations, and antagonist blockade in heroin-dependent volunteers. Neuropsychopharmacology. 2003 Nov;28(11):2000-9.@@Becker J, Schmidt P, Musshoff F, Fitzenreiter M, Madea B: MOR1 receptor mRNA expression in human brains of drug-related fatalities-a real-time PCR quantification. Forensic Sci Int. 2004 Feb 10;140(1):13-20.@@Yao L, McFarland K, Fan P, Jiang Z, Inoue Y, Diamond I: Activator of G protein signaling 3 regulates opiate activation of protein kinase A signaling and relapse of heroin-seeking behavior. Proc Natl Acad Sci U S A. 2005 Jun 14;102(24):8746-51. Epub 2005 Jun 3.@@Antonilli L, Petecchia E, Caprioli D, Badiani A, Nencini P: Effect of repeated administrations of heroin, naltrexone, methadone, and alcohol on morphine glucuronidation in the rat. Psychopharmacology (Berl). 2005 Oct;182(1):58-64. Epub 2005 Sep 29.@@Choi HS, Kim CS, Hwang CK, Song KY, Wang W, Qiu Y, Law PY, Wei LN, Loh HH: The opioid ligand binding of human mu-opioid receptor is modulated by novel splice variants of the receptor. Biochem Biophys Res Commun. 2006 May 19;343(4):1132-40. Epub 2006 Mar 23." Approved; Illicit; Investigational Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Heroin, agonists; Sensory System Agents; Narcotics; Drugs Used in Addictive Disorders; Central Nervous System Depressants; Drugs Used in Opioid Dependence; Alkaloids; Morphine Derivatives; Heterocyclic Compounds, Fused-Ring; Opiate Agonists; Thyroxine-binding globulin inducers; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; Nervous System; Opiate Alkaloids; Opioids" [H][C@@]12C=C[C@H](OC(C)=O)[C@@H]3OC4=C(OC(C)=O)C=CC5=C4[C@]13CCN(C)[C@@H]2C5 Heroin Metabolism Pathway; Heroin Action Pathway drug_metabolism; drug_action 8283 46506839 D07286 PA452619 Heroin CHEMBL459324 3304 DB01452 Diamorphine BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 18343363; 11752352; 12015197 "Klein G, Juni A, Arout CA, Waxman AR, Inturrisi CE, Kest B: Acute and chronic heroin dependence in mice: contribution of opioid and excitatory amino acid receptors. Eur J Pharmacol. 2008 May 31;586(1-3):179-88. doi: 10.1016/j.ejphar.2008.02.035. Epub 2008 Feb 19.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kieffer BL, Gaveriaux-Ruff C: Exploring the opioid system by gene knockout. Prog Neurobiol. 2002 Apr;66(5):285-306." Approved; Illicit; Investigational Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Heroin, agonists; Sensory System Agents; Narcotics; Drugs Used in Addictive Disorders; Central Nervous System Depressants; Drugs Used in Opioid Dependence; Alkaloids; Morphine Derivatives; Heterocyclic Compounds, Fused-Ring; Opiate Agonists; Thyroxine-binding globulin inducers; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; Nervous System; Opiate Alkaloids; Opioids" [H][C@@]12C=C[C@H](OC(C)=O)[C@@H]3OC4=C(OC(C)=O)C=CC5=C4[C@]13CCN(C)[C@@H]2C5 Heroin Metabolism Pathway; Heroin Action Pathway drug_metabolism; drug_action 8283 46506839 D07286 PA452619 Heroin CHEMBL459324 3304 DB01454 Midomafetamine BE0000393 HTR2B P41595 5HT2B_HUMAN agonist 2871581 "Lyon RA, Glennon RA, Titeler M: 3,4-Methylenedioxymethamphetamine (MDMA): stereoselective interactions at brain 5-HT1 and 5-HT2 receptors. Psychopharmacology (Berl). 1986;88(4):525-6." Experimental; Illicit; Investigational Benzodioxoles Organic compounds; Organoheterocyclic compounds; Benzodioxoles Amines; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Amphetamines; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Membrane Transport Modulators; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Hallucinogens; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Ethylamines; Adrenergic Agents CNC(C)CC1=CC2=C(OCO2)C=C1 46506404 PA131887008 "3,4-Methylenedioxymethamphetamine" CHEMBL43048 DB01454 Midomafetamine BE0000533 HTR2C P28335 5HT2C_HUMAN agonist 7824160; 2871581 "Nash JF, Roth BL, Brodkin JD, Nichols DE, Gudelsky GA: Effect of the R(-) and S(+) isomers of MDA and MDMA on phosphatidyl inositol turnover in cultured cells expressing 5-HT2A or 5-HT2C receptors. Neurosci Lett. 1994 Aug 15;177(1-2):111-5.@@Lyon RA, Glennon RA, Titeler M: 3,4-Methylenedioxymethamphetamine (MDMA): stereoselective interactions at brain 5-HT1 and 5-HT2 receptors. Psychopharmacology (Berl). 1986;88(4):525-6." Experimental; Illicit; Investigational Benzodioxoles Organic compounds; Organoheterocyclic compounds; Benzodioxoles Amines; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Amphetamines; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Membrane Transport Modulators; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Hallucinogens; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Ethylamines; Adrenergic Agents CNC(C)CC1=CC2=C(OCO2)C=C1 46506404 PA131887008 "3,4-Methylenedioxymethamphetamine" CHEMBL43048 DB01466 Ethylmorphine BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 16530171; 16580639; 16580848; 16682505; 11752352 "Yamada H, Shimoyama N, Sora I, Uhl GR, Fukuda Y, Moriya H, Shimoyama M: Morphine can produce analgesia via spinal kappa opioid receptors in the absence of mu opioid receptors. Brain Res. 2006 Apr 14;1083(1):61-9. Epub 2006 Mar 10.@@Choi HS, Kim CS, Hwang CK, Song KY, Wang W, Qiu Y, Law PY, Wei LN, Loh HH: The opioid ligand binding of human mu-opioid receptor is modulated by novel splice variants of the receptor. Biochem Biophys Res Commun. 2006 May 19;343(4):1132-40. Epub 2006 Mar 23.@@Castro RR, Cunha FQ, Silva FS Jr, Rocha FA: A quantitative approach to measure joint pain in experimental osteoarthritis--evidence of a role for nitric oxide. Osteoarthritis Cartilage. 2006 Aug;14(8):769-76. Epub 2006 Mar 31.@@Johnson EA, Oldfield S, Braksator E, Gonzalez-Cuello A, Couch D, Hall KJ, Mundell SJ, Bailey CP, Kelly E, Henderson G: Agonist-selective mechanisms of mu-opioid receptor desensitization in human embryonic kidney 293 cells. Mol Pharmacol. 2006 Aug;70(2):676-85. Epub 2006 May 8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental; Illicit Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Sensory System Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Sensory Organs; Alkaloids; Morphine Derivatives; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; Ophthalmologicals; Cough and Cold Preparations; Opiate Alkaloids; Opioids" [H][C@@]12OC3=C(OCC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O Ethylmorphine Action Pathway drug_action 46505092 D07929 Ethylmorphine CHEMBL1712170 4166 DB01481 1-Testosterone BE0000132 AR P10275 ANDR_HUMAN agonist 17139284; 17016423; 16621347 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Friedel A, Geyer H, Kamber M, Laudenbach-Leschowsky U, Schanzer W, Thevis M, Vollmer G, Zierau O, Diel P: 17beta-hydroxy-5alpha-androst-1-en-3-one (1-testosterone) is a potent androgen with anabolic properties. Toxicol Lett. 2006 Aug 20;165(2):149-55. Epub 2006 Apr 18." Experimental; Illicit; Investigational Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Fused-Ring Compounds; Androstenols; Gonadal Steroid Hormones; Gonadal Hormones; Androstanes; Steroids; Androstenes; Testosterone Congeners; Testosterone and derivatives; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)C=C[C@]12C 46507716 1-Testosterone DB01483 Barbital BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 14579514; 10209232; 11264449; 10487207 "Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants" CCC1(CC)C(=O)NC(=O)NC1=O 46508979 PA448538 DAP001350 Barbital CHEMBL444 1325 DB01483 Barbital BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 11264449; 10209232 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217." Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants" CCC1(CC)C(=O)NC(=O)NC1=O 46508979 PA448538 DAP001350 Barbital CHEMBL444 1325 DB01483 Barbital BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 11264449; 16248797; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants" CCC1(CC)C(=O)NC(=O)NC1=O 46508979 PA448538 DAP001350 Barbital CHEMBL444 1325 DB01483 Barbital BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants" CCC1(CC)C(=O)NC(=O)NC1=O 46508979 PA448538 DAP001350 Barbital CHEMBL444 1325 DB01483 Barbital BE0000826 GRIK2 Q13002 GRIK2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Illicit Barbituric acid derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants" CCC1(CC)C(=O)NC(=O)NC1=O 46508979 PA448538 DAP001350 Barbital CHEMBL444 1325 DB01489 Camazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Experimental; Illicit "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Nervous System; Psycholeptics" CN(C)C(=O)OC1N=C(C2=CC=CC=C2)C2=C(C=CC(Cl)=C2)N(C)C1=O 46505921 D07315 Camazepam CHEMBL1095282 DB01496 "Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione" BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 14579514; 10209232; 11264449; 10487207 "Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Experimental; Illicit Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes Anticholinergic Agents; Nicotinic Antagonists FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1 46507405 DB01496 "Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione" BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 11264449; 10209232 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217." Experimental; Illicit Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes Anticholinergic Agents; Nicotinic Antagonists FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1 46507405 DB01496 "Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione" BE0000849 CHRNA4 P43681 ACHA4_HUMAN antagonist 11264449; 16248797; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Experimental; Illicit Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes Anticholinergic Agents; Nicotinic Antagonists FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1 46507405 DB01496 "Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione" BE0000829 GRIA2 P42262 GRIA2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Experimental; Illicit Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes Anticholinergic Agents; Nicotinic Antagonists FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1 46507405 DB01496 "Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione" BE0000826 GRIK2 Q13002 GRIK2_HUMAN antagonist 11264449; 10487207 "Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303." Experimental; Illicit Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes Anticholinergic Agents; Nicotinic Antagonists FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1 46507405 DB01497 Etorphine BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 10881033; 11098106; 11420091; 11900797; 12435815; 11752352 "Duttaroy A, Yoburn BC: In vivo regulation of mu-opioid receptor density and gene expression in CXBK and outbred Swiss Webster mice. Synapse. 2000 Aug;37(2):118-24.@@Melone M, Brecha NC, Sternini C, Evans C, Conti F: Etorphine increases the number of mu-opioid receptor-positive cells in the cerebral cortex. Neuroscience. 2000;100(3):439-43.@@Stafford K, Gomes AB, Shen J, Yoburn BC: mu-Opioid receptor downregulation contributes to opioid tolerance in vivo. Pharmacol Biochem Behav. 2001 May-Jun;69(1-2):233-7.@@Gomes BA, Shen J, Stafford K, Patel M, Yoburn BC: Mu-opioid receptor down-regulation and tolerance are not equally dependent upon G-protein signaling. Pharmacol Biochem Behav. 2002 May;72(1-2):273-8.@@Patel MB, Patel CN, Rajashekara V, Yoburn BC: Opioid agonists differentially regulate mu-opioid receptors and trafficking proteins in vivo. Mol Pharmacol. 2002 Dec;62(6):1464-70.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Illicit; Vet_approved Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Central Nervous System Depressants; Narcotics; Alkaloids; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opiate Alkaloids; Peripheral Nervous System Agents; Analgesics; Opioids" [H][C@]12CC3=C4C(OC5[C@@]4(CCN1C)[C@]21CC(C(C)(O)CCC)C5(OC)C=C1)=C(O)C=C3 20266 46505591 DNC000631 Etorphine DB01497 Etorphine BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 10999950; 12606694; 12672796; 1316589; 1665782; 11752352; 7739347 "Li JG, Benovic JL, Liu-Chen LY: Mechanisms of agonist-induced down-regulation of the human kappa-opioid receptor: internalization is required for down-regulation. Mol Pharmacol. 2000 Oct;58(4):795-801.@@Li JG, Zhang F, Jin XL, Liu-Chen LY: Differential regulation of the human kappa opioid receptor by agonists: etorphine and levorphanol reduced dynorphin A- and U50,488H-induced internalization and phosphorylation. J Pharmacol Exp Ther. 2003 May;305(2):531-40. Epub 2003 Jan 24.@@Marie N, Lecoq I, Jauzac P, Allouche S: Differential sorting of human delta-opioid receptors after internalization by peptide and alkaloid agonists. J Biol Chem. 2003 Jun 20;278(25):22795-804. Epub 2003 Apr 2.@@Sumner BE, Douglas AJ, Russell JA: Pregnancy alters the density of opioid binding sites in the supraoptic nucleus and posterior pituitary gland of rats. Neurosci Lett. 1992 Mar 30;137(2):216-20.@@Tao PL, Tsai CL, Chang LR, Loh HH: Chronic effect of [D-Pen2,D-Pen5]enkephalin on rat brain opioid receptors. Eur J Pharmacol. 1991 Aug 29;201(2-3):209-14.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Niwa M, al-Essa LY, Ohta S, Kohno K, Nozaki M, Tsurumi K, Iwamura T, Kataoka T: Opioid receptor interaction and adenylyl cyclase inhibition of dihydroetorphine: direct comparison with etorphine. Life Sci. 1995;56(21):PL395-400." Illicit; Vet_approved Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Central Nervous System Depressants; Narcotics; Alkaloids; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opiate Alkaloids; Peripheral Nervous System Agents; Analgesics; Opioids" [H][C@]12CC3=C4C(OC5[C@@]4(CCN1C)[C@]21CC(C(C)(O)CCC)C5(OC)C=C1)=C(O)C=C3 20266 46505591 DNC000631 Etorphine DB01497 Etorphine BE0002378 OPRL1 P41146 OPRX_HUMAN agonist 10688973 "Hawkinson JE, Acosta-Burruel M, Espitia SA: Opioid activity profiles indicate similarities between the nociceptin/orphanin FQ and opioid receptors. Eur J Pharmacol. 2000 Feb 18;389(2-3):107-14." Illicit; Vet_approved Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Central Nervous System Depressants; Narcotics; Alkaloids; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opiate Alkaloids; Peripheral Nervous System Agents; Analgesics; Opioids" [H][C@]12CC3=C4C(OC5[C@@]4(CCN1C)[C@]21CC(C(C)(O)CCC)C5(OC)C=C1)=C(O)C=C3 20266 46505591 DNC000631 Etorphine DB01497 Etorphine BE0001063 TRIM13 O60858 TRI13_HUMAN agonist 2828423; 3036471; 3037028; 6124875; 6247160 "Maneckjee R, Archer S, Zukin RS: Characterization of a polyclonal antibody to the mu opioid receptor. J Neuroimmunol. 1988 Feb;17(3):199-208.@@Stojilkovic SS, Dufau ML, Catt KJ: Opiate receptor subtypes in the rat hypothalamus and neurointermediate lobe. Endocrinology. 1987 Jul;121(1):384-94.@@Pesce G, Lang MA, Russell JT, Rodbard D, Gainer H: Characterization of kappa opioid receptors in neurosecretosomes from bovine posterior pituitary. J Neurochem. 1987 Aug;49(2):421-7.@@Pfeiffer A, Herz A: Discrimination of three opiate receptor binding sites with the use of a computerized curve-fitting technique. Mol Pharmacol. 1982 Mar;21(2):266-71.@@Audigier Y, Mazarguil H, Gout R, Cros J: Structure-activity relationships of enkephalin analogs at opiate and enkephalin receptors: correlation with analgesia. Eur J Pharmacol. 1980 Apr 11;63(1):35-46." Illicit; Vet_approved Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Central Nervous System Depressants; Narcotics; Alkaloids; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opiate Alkaloids; Peripheral Nervous System Agents; Analgesics; Opioids" [H][C@]12CC3=C4C(OC5[C@@]4(CCN1C)[C@]21CC(C(C)(O)CCC)C5(OC)C=C1)=C(O)C=C3 20266 46505591 DNC000631 Etorphine DB01511 Delorazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Experimental; Illicit "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Benzazepines; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Anticonvulsants" ClC1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1 46504957 D07784 Delorazepam CHEMBL268254 DB01520 Tenocyclidine BE0000641 GRIN3A Q8TCU5 NMD3A_HUMAN antagonist 2538766; 17157509 "Stirling JM, Cross AJ, Green AR: The binding of [3H]thienyl cyclohexylpiperidine ([3H]TCP) to the NMDA-phencyclidine receptor complex. Neuropharmacology. 1989 Jan;28(1):1-7.@@Geldenhuys WJ, Malan SF, Bloomquist JR, Van der Schyf CJ: Structure-activity relationships of pentacycloundecylamines at the N-methyl-d-aspartate receptor. Bioorg Med Chem. 2007 Feb 1;15(3):1525-32. Epub 2006 Sep 29." Experimental; Illicit; Investigational Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Piperidines; Central Nervous System Agents; Street Drugs; Protective Agents; Illicit Drugs; NMDA Receptor Antagonists; Neuroprotective Agents; Compounds used in a research, industrial, or household setting" C1CCN(CC1)C1(CCCCC1)C1=CC=CS1 46505124 Tenocyclidine CHEMBL279676 DB01520 Tenocyclidine BE0000760 GRIN2A Q12879 NMDE1_HUMAN antagonist 2538766; 17157509 "Stirling JM, Cross AJ, Green AR: The binding of [3H]thienyl cyclohexylpiperidine ([3H]TCP) to the NMDA-phencyclidine receptor complex. Neuropharmacology. 1989 Jan;28(1):1-7.@@Geldenhuys WJ, Malan SF, Bloomquist JR, Van der Schyf CJ: Structure-activity relationships of pentacycloundecylamines at the N-methyl-d-aspartate receptor. Bioorg Med Chem. 2007 Feb 1;15(3):1525-32. Epub 2006 Sep 29." Experimental; Illicit; Investigational Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Piperidines; Central Nervous System Agents; Street Drugs; Protective Agents; Illicit Drugs; NMDA Receptor Antagonists; Neuroprotective Agents; Compounds used in a research, industrial, or household setting" C1CCN(CC1)C1(CCCCC1)C1=CC=CS1 46505124 Tenocyclidine CHEMBL279676 DB01520 Tenocyclidine BE0000417 GRIN2B Q13224 NMDE2_HUMAN antagonist 2538766 "Stirling JM, Cross AJ, Green AR: The binding of [3H]thienyl cyclohexylpiperidine ([3H]TCP) to the NMDA-phencyclidine receptor complex. Neuropharmacology. 1989 Jan;28(1):1-7." Experimental; Illicit; Investigational Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Piperidines; Central Nervous System Agents; Street Drugs; Protective Agents; Illicit Drugs; NMDA Receptor Antagonists; Neuroprotective Agents; Compounds used in a research, industrial, or household setting" C1CCN(CC1)C1(CCCCC1)C1=CC=CS1 46505124 Tenocyclidine CHEMBL279676 DB01520 Tenocyclidine BE0000396 GRIN2D O15399 NMDE4_HUMAN antagonist 2538766 "Stirling JM, Cross AJ, Green AR: The binding of [3H]thienyl cyclohexylpiperidine ([3H]TCP) to the NMDA-phencyclidine receptor complex. Neuropharmacology. 1989 Jan;28(1):1-7." Experimental; Illicit; Investigational Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Piperidines; Central Nervous System Agents; Street Drugs; Protective Agents; Illicit Drugs; NMDA Receptor Antagonists; Neuroprotective Agents; Compounds used in a research, industrial, or household setting" C1CCN(CC1)C1(CCCCC1)C1=CC=CS1 46505124 Tenocyclidine CHEMBL279676 DB01535 Carfentanil BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 14744466; 15001679; 15028244; 1656846; 7957034 "Bencherif B, Wand GS, McCaul ME, Kim YK, Ilgin N, Dannals RF, Frost JJ: Mu-opioid receptor binding measured by [11C]carfentanil positron emission tomography is related to craving and mood in alcohol dependence. Biol Psychiatry. 2004 Feb 1;55(3):255-62.@@Bencherif B, Stumpf MJ, Links JM, Frost JJ: Application of MRI-based partial-volume correction to the analysis of PET images of mu-opioid receptors using statistical parametric mapping. J Nucl Med. 2004 Mar;45(3):402-8.@@Jewett DM, Kilbourn MR: In vivo evaluation of new carfentanil-based radioligands for the mu opiate receptor. Nucl Med Biol. 2004 Apr;31(3):321-5.@@Mayberg HS, Sadzot B, Meltzer CC, Fisher RS, Lesser RP, Dannals RF, Lever JR, Wilson AA, Ravert HT, Wagner HN Jr, et al.: Quantification of mu and non-mu opiate receptors in temporal lobe epilepsy using positron emission tomography. Ann Neurol. 1991 Jul;30(1):3-11.@@Bartenstein PA, Prevett MC, Duncan JS, Hajek M, Wieser HG: Quantification of opiate receptors in two patients with mesiobasal temporal lobe epilepsy, before and after selective amygdalohippocampectomy, using positron emission tomography. Epilepsy Res. 1994 Jun;18(2):119-25." Illicit; Investigational; Vet_approved Fentanyls Organic compounds; Organoheterocyclic compounds; Piperidines; Fentanyls Sensory System Agents; Piperidines; Central Nervous System Agents; Central Nervous System Depressants; Carbon Radioisotopes; High-risk opioids; Narcotics; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Peripheral Nervous System Agents; Analgesics; Phenylpiperidine opioids; Opioids CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC2=CC=CC=C2)CC1)C(=O)OC Carfentanil Action Pathway drug_action 11176 46505501 Carfentanil CHEMBL290429 DB01535 Carfentanil BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 1656846; 15853689 "Mayberg HS, Sadzot B, Meltzer CC, Fisher RS, Lesser RP, Dannals RF, Lever JR, Wilson AA, Ravert HT, Wagner HN Jr, et al.: Quantification of mu and non-mu opiate receptors in temporal lobe epilepsy using positron emission tomography. Ann Neurol. 1991 Jul;30(1):3-11.@@Barry U, Zuo Z: Opioids: old drugs for potential new applications. Curr Pharm Des. 2005;11(10):1343-50." Illicit; Investigational; Vet_approved Fentanyls Organic compounds; Organoheterocyclic compounds; Piperidines; Fentanyls Sensory System Agents; Piperidines; Central Nervous System Agents; Central Nervous System Depressants; Carbon Radioisotopes; High-risk opioids; Narcotics; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Peripheral Nervous System Agents; Analgesics; Phenylpiperidine opioids; Opioids CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC2=CC=CC=C2)CC1)C(=O)OC Carfentanil Action Pathway drug_action 11176 46505501 Carfentanil CHEMBL290429 DB01536 Androstenedione BE0000592 AKR1C3 P42330 AK1C3_HUMAN substrate 17139284; 17016423; 27486833 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Adeniji A, Uddin MJ, Zang T, Tamae D, Wangtrakuldee P, Marnett LJ, Penning TM: Discovery of (R)-2-(6-Methoxynaphthalen-2-yl)butanoic Acid as a Potent and Selective Aldo-keto Reductase 1C3 Inhibitor. J Med Chem. 2016 Aug 25;59(16):7431-44. doi: 10.1021/acs.jmedchem.6b00160. Epub 2016 Aug 12." Experimental; Illicit Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Fused-Ring Compounds; Gonadal Steroid Hormones; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Gonadal Hormones; Ketosteroids; Cytochrome P-450 CYP3A Substrates; Androstanes; 17-Ketosteroids; Cytochrome P-450 CYP3A4 Substrates; Steroids; Androstenes; Testosterone Congeners; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androstenedione Metabolism disease; metabolic 46508011 D00051 Androstenedione CHEMBL274826 784 DB01537 "4-Bromo-2,5-dimethoxyphenethylamine" BE0000533 HTR2C P28335 5HT2C_HUMAN partial agonist 17337633; 15006903 "Moya PR, Berg KA, Gutierrez-Hernandez MA, Saez-Briones P, Reyes-Parada M, Cassels BK, Clarke WP: Functional selectivity of hallucinogenic phenethylamine and phenylisopropylamine derivatives at human 5-hydroxytryptamine (5-HT)2A and 5-HT2C receptors. J Pharmacol Exp Ther. 2007 Jun;321(3):1054-61. Epub 2007 Mar 2.@@Villalobos CA, Bull P, Saez P, Cassels BK, Huidobro-Toro JP: 4-Bromo-2,5-dimethoxyphenethylamine (2C-B) and structurally related phenylethylamines are potent 5-HT2A receptor antagonists in Xenopus laevis oocytes. Br J Pharmacol. 2004 Apr;141(7):1167-74. Epub 2004 Mar 8." Experimental; Illicit Dimethoxybenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes Adrenergic Agonists; Serotonin Agents; Amines; Central Nervous System Depressants; Adrenergic alpha-Agonists; Phenethylamines; Neurotransmitter Agents; Antidepressive Agents; Ethylamines; Adrenergic Agents; Adrenergic alpha-1 Receptor Agonists COC1=CC(Br)=C(OC)C=C1CCN 46504806 "4-Bromo-2,5-dimethoxyphenethylamine" CHEMBL292821 DB01541 Boldenone BE0000132 AR P10275 ANDR_HUMAN agonist 17139284; 17016423; 17386710 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Merlanti R, Gallina G, Capolongo F, Contiero L, Biancotto G, Dacasto M, Montesissa C: An in vitro study on metabolism of 17beta-boldenone and boldione using cattle liver and kidney subcellular fractions. Anal Chim Acta. 2007 Mar 14;586(1-2):177-83. Epub 2006 Dec 10." Illicit; Vet_approved Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Fused-Ring Compounds; Androstenols; Gonadal Steroid Hormones; Gonadal Hormones; Androstanes; Anabolic Agents; Steroids; Androstenes; Testosterone Congeners; Testosterone and derivatives; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7402 46505583 D07536 Boldenone CHEMBL209073 2289408 DB01544 Flunitrazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved; Illicit "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Muscle Relaxants, Centrally Acting Agents; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Muscle Relaxants; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; UGT2B7 Inhibitors; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; UGT1A3 Inhibitors; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Neurotransmitter Agents; Nervous System" CN1C2=C(C=C(C=C2)[N+]([O-])=O)C(=NCC1=O)C1=CC=CC=C1F 46504553 D01230 PA164781320 DAP000931 Flunitrazepam CHEMBL13280 4460 DB01545 Ethyl loflazepate BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Experimental; Illicit Alpha amino acid esters "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Psycholeptics" CCOC(=O)C1N=C(C2=CC=CC=C2F)C2=C(NC1=O)C=CC(Cl)=C2 46507486 D01293 Ethyl_loflazepate CHEMBL1213460 24524 DB01548 Diprenorphine BE0000770 OPRM1 P35372 OPRM_HUMAN antagonist 20641600 Leung K: [6-O-methyl-11C]Diprenorphine . Illicit; Vet_approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Alkaloids; Opioid Antagonists; Opiate Alkaloids; Peripheral Nervous System Agents" [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]11CC[C@@]2(OC)[C@H](C1)C(C)(C)O 20253 46506559 Diprenorphine CHEMBL281786 DB01548 Diprenorphine BE0000420 OPRD1 P41143 OPRD_HUMAN antagonist 10319982; 10413036; 11526449; 12672796; 12909189; 20641600 "Willoch F, Tolle TR, Wester HJ, Munz F, Petzold A, Schwaiger M, Conrad B, Bartenstein P: Central pain after pontine infarction is associated with changes in opioid receptor binding: a PET study with 11C-diprenorphine. AJNR Am J Neuroradiol. 1999 Apr;20(4):686-90.@@Jones AK, Kitchen ND, Watabe H, Cunningham VJ, Jones T, Luthra SK, Thomas DG: Measurement of changes in opioid receptor binding in vivo during trigeminal neuralgic pain using [11C] diprenorphine and positron emission tomography. J Cereb Blood Flow Metab. 1999 Jul;19(7):803-8.@@Kampa M, Hatzoglou A, Notas G, Niniraki M, Kouroumalis E, Castanas E: Opioids are non-competitive inhibitors of nitric oxide synthase in T47D human breast cancer cells. Cell Death Differ. 2001 Sep;8(9):943-52.@@Marie N, Lecoq I, Jauzac P, Allouche S: Differential sorting of human delta-opioid receptors after internalization by peptide and alkaloid agonists. J Biol Chem. 2003 Jun 20;278(25):22795-804. Epub 2003 Apr 2.@@Webster JM, Bentley MT, Wojcikiewicz RJ: N,N,N',N'-tetrakis(2-pyridylmethyl)ethylenediamine inhibits ligand binding to certain G protein-coupled receptors. Eur J Pharmacol. 2003 Aug 1;474(1):1-5.@@Leung K: [6-O-methyl-11C]Diprenorphine ." Illicit; Vet_approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Alkaloids; Opioid Antagonists; Opiate Alkaloids; Peripheral Nervous System Agents" [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]11CC[C@@]2(OC)[C@H](C1)C(C)(C)O 20253 46506559 Diprenorphine CHEMBL281786 DB01548 Diprenorphine BE0001063 TRIM13 O60858 TRI13_HUMAN 2982865; 6124875; 6270660; 6287305; 8626742 "Law PY, Hom DS, Loh HH: Multiple affinity states of opiate receptor in neuroblastoma x glioma NG108-15 hybrid cells. Opiate agonist association rate is a function of receptor occupancy. J Biol Chem. 1985 Mar 25;260(6):3561-9.@@Pfeiffer A, Herz A: Discrimination of three opiate receptor binding sites with the use of a computerized curve-fitting technique. Mol Pharmacol. 1982 Mar;21(2):266-71.@@Chang KJ, Hazum E, Cuatrecasas P: Novel opiate binding sites selective for benzomorphan drugs. Proc Natl Acad Sci U S A. 1981 Jul;78(7):4141-5.@@Pfeiffer A, Herz A: Enhancement of delta- but not mu-opiate agonist binding by calcium. Naunyn Schmiedebergs Arch Pharmacol. 1982 May;319(2):147-53.@@Cvejic S, Trapaidze N, Cyr C, Devi LA: Thr353, located within the COOH-terminal tail of the delta opiate receptor, is involved in receptor down-regulation. J Biol Chem. 1996 Feb 23;271(8):4073-6." Illicit; Vet_approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Alkaloids; Opioid Antagonists; Opiate Alkaloids; Peripheral Nervous System Agents" [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]11CC[C@@]2(OC)[C@H](C1)C(C)(C)O 20253 46506559 Diprenorphine CHEMBL281786 DB01549 Rolicyclidine BE0000641 GRIN3A Q8TCU5 NMD3A_HUMAN 20641908; 20613880 "Leung K: 4-Acetoxy-7-chloro-3-(3-(-4-[11C]methoxybenzyl)phenyl)-2(1H)-quinolone .@@Yuede CM, Wozniak DF, Creeley CE, Taylor GT, Olney JW, Farber NB: Behavioral consequences of NMDA antagonist-induced neuroapoptosis in the infant mouse brain. PLoS One. 2010 Jun 29;5(6):e11374. doi: 10.1371/journal.pone.0011374." Experimental; Illicit Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines Piperidines C1CCN(C1)C1(CCCCC1)C1=CC=CC=C1 46507433 Rolicyclidine CHEMBL1719398 DB01553 Cloxazolam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Experimental "1,3-oxazolobenzo-1,4-diazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Depressants; Benzodiazepines and benzodiazepine derivatives; Nervous System; Psycholeptics" ClC1=CC2=C(NC(=O)CN3CCOC23C2=CC=CC=C2Cl)C=C1 46505281 D01268 Cloxazolam CHEMBL2107254 21311 DB01558 Bromazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved; Illicit; Investigational "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Muscle Relaxants, Centrally Acting Agents; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates" BrC1=CC2=C(NC(=O)CN=C2C2=CC=CC=N2)C=C1 2007 46505694 D01245 PA10035 DAP001035 Bromazepam CHEMBL277062 1749 DB01559 Clotiazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved; Illicit Thienodiazepines Organic compounds; Organoheterocyclic compounds; Thienodiazepines Cytochrome P-450 CYP2B6 Substrates; Anti-Anxiety Agents; Central Nervous System Depressants; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates CCC1=CC2=C(S1)N(C)C(=O)CN=C2C1=CC=CC=C1Cl 46508776 D01328 PA164752437 DAP000932 Clotiazepam CHEMBL1697737 2622 DB01564 Calusterone BE0000132 AR P10275 ANDR_HUMAN 17016423; 152592; 17322500; 17084172; 17086931; 11511858 "Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Brodkin RA, Cooper MR: Calusterone. Ann Intern Med. 1978 Dec;89(6):945-8.@@Lapauw B, Goemaere S, Crabbe P, Kaufman JM, Ruige JB: Is the effect of testosterone on body composition modulated by the androgen receptor gene CAG repeat polymorphism in elderly men? Eur J Endocrinol. 2007 Mar;156(3):395-401.@@Small EJ, Ryan CJ: The case for secondary hormonal therapies in the chemotherapy age. J Urol. 2006 Dec;176(6 Pt 2):S66-71.@@Omwancha J, Brown TR: Selective androgen receptor modulators: in pursuit of tissue-selective androgens. Curr Opin Investig Drugs. 2006 Oct;7(10):873-81.@@McPhaul MJ, Young M: Complexities of androgen action. J Am Acad Dermatol. 2001 Sep;45(3 Suppl):S87-94." Experimental; Illicit Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids Fused-Ring Compounds; Androstenols; Androstanes; Steroids; Androstenes; Testosterone Congeners; Testosterone and derivatives [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](C)CC2=CC(=O)CC[C@]12C 46507441 Calusterone CHEMBL455706 DB01565 Dihydromorphine BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 16777416; 19474215; 15178355 "Crooks PA, Kottayil SG, Al-Ghananeem AM, Byrn SR, Butterfield DA: Opiate receptor binding properties of morphine-, dihydromorphine-, and codeine 6-O-sulfate ester congeners. Bioorg Med Chem Lett. 2006 Aug 15;16(16):4291-5. Epub 2006 Jun 13.@@Dietis N, Guerrini R, Calo G, Salvadori S, Rowbotham DJ, Lambert DG: Simultaneous targeting of multiple opioid receptors: a strategy to improve side-effect profile. Br J Anaesth. 2009 Jul;103(1):38-49. doi: 10.1093/bja/aep129. Epub 2009 May 27.@@Gilbert AK, Hosztafi S, Mahurter L, Pasternak GW: Pharmacological characterization of dihydromorphine, 6-acetyldihydromorphine and dihydroheroin analgesia and their differentiation from morphine. Eur J Pharmacol. 2004 May 25;492(2-3):123-30." Experimental; Illicit Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Morphine Derivatives; Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Central Nervous System Depressants; Semi-synthetic Opioids; Narcotics; Alkaloids; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opiate Alkaloids; Peripheral Nervous System Agents; Analgesics; Opioids" [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2O Dihydromorphine Action Pathway drug_action 46506587 Dihydromorphine CHEMBL1500 DB01565 Dihydromorphine BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 16777416; 19474215; 15178355 "Crooks PA, Kottayil SG, Al-Ghananeem AM, Byrn SR, Butterfield DA: Opiate receptor binding properties of morphine-, dihydromorphine-, and codeine 6-O-sulfate ester congeners. Bioorg Med Chem Lett. 2006 Aug 15;16(16):4291-5. Epub 2006 Jun 13.@@Dietis N, Guerrini R, Calo G, Salvadori S, Rowbotham DJ, Lambert DG: Simultaneous targeting of multiple opioid receptors: a strategy to improve side-effect profile. Br J Anaesth. 2009 Jul;103(1):38-49. doi: 10.1093/bja/aep129. Epub 2009 May 27.@@Gilbert AK, Hosztafi S, Mahurter L, Pasternak GW: Pharmacological characterization of dihydromorphine, 6-acetyldihydromorphine and dihydroheroin analgesia and their differentiation from morphine. Eur J Pharmacol. 2004 May 25;492(2-3):123-30." Experimental; Illicit Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Morphine Derivatives; Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Central Nervous System Depressants; Semi-synthetic Opioids; Narcotics; Alkaloids; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opiate Alkaloids; Peripheral Nervous System Agents; Analgesics; Opioids" [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2O Dihydromorphine Action Pathway drug_action 46506587 Dihydromorphine CHEMBL1500 DB01565 Dihydromorphine BE0001063 TRIM13 O60858 TRI13_HUMAN agonist 1654566; 2828423; 2835832; 2855368; 2985086 "Liebmann C, Schnittler M, Hartrodt B, Born I, Neubert K: Structure-activity studies of novel casomorphin analogues: binding profiles towards mu 1-, mu 2- and delta -opioid receptors. Pharmazie. 1991 May;46(5):345-8.@@Maneckjee R, Archer S, Zukin RS: Characterization of a polyclonal antibody to the mu opioid receptor. J Neuroimmunol. 1988 Feb;17(3):199-208.@@Ishizuka Y, Oka T: Relation of diltiazem binding sites to opioid receptor subtypes in the guinea-pig brain. Tokai J Exp Clin Med. 1987 Mar;12(1):11-7.@@Koman A, Kolb VM, Terenius L: A naloxone-steroid hybrid azine with selective and long-acting opioid antagonism at delta receptors in vitro. Pharm Res. 1987 Apr;4(2):147-9.@@Ho CL, Hammonds RG Jr, Li CH: Opiate receptor binding profile in the rabbit cerebellum and brain membranes. Biochem Pharmacol. 1985 Apr 1;34(7):925-31." Experimental; Illicit Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Morphine Derivatives; Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Central Nervous System Depressants; Semi-synthetic Opioids; Narcotics; Alkaloids; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opiate Alkaloids; Peripheral Nervous System Agents; Analgesics; Opioids" [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2O Dihydromorphine Action Pathway drug_action 46506587 Dihydromorphine CHEMBL1500 DB01567 Fludiazepam BE0000795 GABRA1 P14867 GBRA1_HUMAN potentiator 2857046 "Nakatsuka I, Shimizu H, Asami Y, Katoh T, Hirose A, Yoshitake A: Benzodiazepines and their metabolites: relationship between binding affinity to the benzodiazepine receptor and pharmacological activity. Life Sci. 1985 Jan 14;36(2):113-9." Experimental; Illicit "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Muscle Relaxants, Centrally Acting Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Muscle Relaxants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Peripheral Nervous System Agents; Psycholeptics" CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F 46507563 D01354 PA164745609 DAP000934 Fludiazepam CHEMBL13291 DB01567 Fludiazepam BE0000381 GABRA2 P47869 GBRA2_HUMAN potentiator 2857046 "Nakatsuka I, Shimizu H, Asami Y, Katoh T, Hirose A, Yoshitake A: Benzodiazepines and their metabolites: relationship between binding affinity to the benzodiazepine receptor and pharmacological activity. Life Sci. 1985 Jan 14;36(2):113-9." Experimental; Illicit "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Muscle Relaxants, Centrally Acting Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Muscle Relaxants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Peripheral Nervous System Agents; Psycholeptics" CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F 46507563 D01354 PA164745609 DAP000934 Fludiazepam CHEMBL13291 DB01567 Fludiazepam BE0003594 GABRG3 Q99928 GBRG3_HUMAN potentiator 2857046 "Nakatsuka I, Shimizu H, Asami Y, Katoh T, Hirose A, Yoshitake A: Benzodiazepines and their metabolites: relationship between binding affinity to the benzodiazepine receptor and pharmacological activity. Life Sci. 1985 Jan 14;36(2):113-9." Experimental; Illicit "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Muscle Relaxants, Centrally Acting Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Muscle Relaxants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Peripheral Nervous System Agents; Psycholeptics" CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F 46507563 D01354 PA164745609 DAP000934 Fludiazepam CHEMBL13291 DB01567 Fludiazepam BE0002344 GABRB1 P18505 GBRB1_HUMAN potentiator 2857046 "Nakatsuka I, Shimizu H, Asami Y, Katoh T, Hirose A, Yoshitake A: Benzodiazepines and their metabolites: relationship between binding affinity to the benzodiazepine receptor and pharmacological activity. Life Sci. 1985 Jan 14;36(2):113-9." Experimental; Illicit "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Muscle Relaxants, Centrally Acting Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Muscle Relaxants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Peripheral Nervous System Agents; Psycholeptics" CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F 46507563 D01354 PA164745609 DAP000934 Fludiazepam CHEMBL13291 DB01567 Fludiazepam BE0002346 GABRB2 P47870 GBRB2_HUMAN potentiator 2857046 "Nakatsuka I, Shimizu H, Asami Y, Katoh T, Hirose A, Yoshitake A: Benzodiazepines and their metabolites: relationship between binding affinity to the benzodiazepine receptor and pharmacological activity. Life Sci. 1985 Jan 14;36(2):113-9." Experimental; Illicit "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Muscle Relaxants, Centrally Acting Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Muscle Relaxants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Peripheral Nervous System Agents; Psycholeptics" CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F 46507563 D01354 PA164745609 DAP000934 Fludiazepam CHEMBL13291 DB01567 Fludiazepam BE0002345 GABRB3 P28472 GBRB3_HUMAN potentiator 2857046 "Nakatsuka I, Shimizu H, Asami Y, Katoh T, Hirose A, Yoshitake A: Benzodiazepines and their metabolites: relationship between binding affinity to the benzodiazepine receptor and pharmacological activity. Life Sci. 1985 Jan 14;36(2):113-9." Experimental; Illicit "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Muscle Relaxants, Centrally Acting Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Muscle Relaxants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Peripheral Nervous System Agents; Psycholeptics" CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F 46507563 D01354 PA164745609 DAP000934 Fludiazepam CHEMBL13291 DB01567 Fludiazepam BE0003619 GABRR3 A8MPY1 GBRR3_HUMAN potentiator 2857046 "Nakatsuka I, Shimizu H, Asami Y, Katoh T, Hirose A, Yoshitake A: Benzodiazepines and their metabolites: relationship between binding affinity to the benzodiazepine receptor and pharmacological activity. Life Sci. 1985 Jan 14;36(2):113-9." Experimental; Illicit "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Muscle Relaxants, Centrally Acting Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Muscle Relaxants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Peripheral Nervous System Agents; Psycholeptics" CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F 46507563 D01354 PA164745609 DAP000934 Fludiazepam CHEMBL13291 DB01571 3-Methylfentanyl BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 10669565; 6264594; 8030414; 8576134 "Subramanian G, Paterlini MG, Portoghese PS, Ferguson DM: Molecular docking reveals a novel binding site model for fentanyl at the mu-opioid receptor. J Med Chem. 2000 Feb 10;43(3):381-91.@@Jin WQ, Xu H, Zhu YC, Fang SN, Xia XL, Huang ZM, Ge BL, Chi ZQ: Studies on synthesis and relationship between analgesic activity and receptor affinity for 3-methyl fentanyl derivatives. Sci Sin. 1981 May;24(5):710-20.@@Wang ZX, Zhu YC, Chen XJ, Ji RY: [Stereoisomers of 3-methylfentanyl: synthesis, absolute configuration and analgesic activity]. Yao Xue Xue Bao. 1993;28(12):905-10.@@Zhu J, Yin J, Law PY, Claude PA, Rice KC, Evans CJ, Chen C, Yu L, Liu-Chen LY: Irreversible binding of cis-(+)-3-methylfentanyl isothiocyanate to the delta opioid receptor and determination of its binding domain. J Biol Chem. 1996 Jan 19;271(3):1430-4." Illicit Fentanyls Organic compounds; Organoheterocyclic compounds; Piperidines; Fentanyls Sensory System Agents; Piperidines; Central Nervous System Agents; Peripheral Nervous System Agents; Analgesics CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1C)C1=CC=CC=C1 46509149 3-Methylfentanyl DB01571 3-Methylfentanyl BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 6264594; 8030414; 8576134 "Jin WQ, Xu H, Zhu YC, Fang SN, Xia XL, Huang ZM, Ge BL, Chi ZQ: Studies on synthesis and relationship between analgesic activity and receptor affinity for 3-methyl fentanyl derivatives. Sci Sin. 1981 May;24(5):710-20.@@Wang ZX, Zhu YC, Chen XJ, Ji RY: [Stereoisomers of 3-methylfentanyl: synthesis, absolute configuration and analgesic activity]. Yao Xue Xue Bao. 1993;28(12):905-10.@@Zhu J, Yin J, Law PY, Claude PA, Rice KC, Evans CJ, Chen C, Yu L, Liu-Chen LY: Irreversible binding of cis-(+)-3-methylfentanyl isothiocyanate to the delta opioid receptor and determination of its binding domain. J Biol Chem. 1996 Jan 19;271(3):1430-4." Illicit Fentanyls Organic compounds; Organoheterocyclic compounds; Piperidines; Fentanyls Sensory System Agents; Piperidines; Central Nervous System Agents; Peripheral Nervous System Agents; Analgesics CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1C)C1=CC=CC=C1 46509149 3-Methylfentanyl DB01577 Metamfetamine BE0004674 SLC18A1 P54219 VMAT1_HUMAN inhibitor 15955613; 9587917; 17209801 "Sulzer D, Sonders MS, Poulsen NW, Galli A: Mechanisms of neurotransmitter release by amphetamines: a review. Prog Neurobiol. 2005 Apr;75(6):406-33.@@Henry JP, Sagne C, Bedet C, Gasnier B: The vesicular monoamine transporter: from chromaffin granule to brain. Neurochem Int. 1998 Mar;32(3):227-46.@@Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98." Approved; Illicit; Withdrawn Amphetamines and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines "Amines; Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Autonomic Agents; Central Nervous System Stimulants; Antidepressive Agents; Amphetamines; Dopamine Uptake Inhibitors; Increased Sympathetic Activity; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Adrenergic Agents; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Amphetamine Anorectic; Peripheral Nervous System Agents; Centrally Acting Sympathomimetics; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Ethylamines; Central Nervous System Stimulation; Dopamine Agents; Appetite Suppression; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" CN[C@@H](C)CC1=CC=CC=C1 46508541 PA450403 DAP001496 Methamphetamine CHEMBL1201201 6816 DB01580 Oxprenolol BE0001012 ADRB3 P13945 ADRB3_HUMAN 1682311 "Feve B, Emorine LJ, Lasnier F, Blin N, Baude B, Nahmias C, Strosberg AD, Pairault J: Atypical beta-adrenergic receptor in 3T3-F442A adipocytes. Pharmacological and molecular relationship with the human beta 3-adrenergic receptor. J Biol Chem. 1991 Oct 25;266(30):20329-36." Approved Phenol ethers Organic compounds; Benzenoids; Phenol ethers "Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Amines; QTc Prolonging Agents; Antihypertensive Agents; Phenoxypropanolamines; Autonomic Agents; Hypotensive Agents; Amino Alcohols; Cardiovascular Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Sympatholytics; Alcohols; Negative Inotrope; Beta Blocking Agents and Thiazides; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Vasodilating Agents; Propanols; Beta Blocking Agents, Non-Selective, and Thiazides; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Beta Blocking Agents, Non-Selective; Antiarrhythmic agents; Propanolamines; Anti-Anxiety Agents; Central Nervous System Agents; Adrenergic beta-Antagonists; Tranquilizing Agents; Neurotransmitter Agents; Bradycardia-Causing Agents; Adrenergic Agents" CC(C)NCC(O)COC1=CC=CC=C1OCC=C Oxprenolol Action Pathway drug_action 2156 46508996 PA10284 DAP000485 Oxprenolol CHEMBL546 7801 DB01583 Liotrix BE0000687 THRA P10827 THA_HUMAN agonist 15283690; 12955882; 15240882; 15235154; 14596673; 17315033; 20615127; 11752352; 17016423; 17139284 "Jiang W, Miyamoto T, Kakizawa T, Sakuma T, Nishio S, Takeda T, Suzuki S, Hashizume K: Expression of thyroid hormone receptor alpha in 3T3-L1 adipocytes; triiodothyronine increases the expression of lipogenic enzyme and triglyceride accumulation. J Endocrinol. 2004 Aug;182(2):295-302.@@Kariv R, Enden A, Zvibel I, Rosner G, Brill S, Shafritz DA, Halpern Z, Oren R: Triiodothyronine and interleukin-6 (IL-6) induce expression of HGF in an immortalized rat hepatic stellate cell line. Liver Int. 2003 Jun;23(3):187-93.@@Mai W, Janier MF, Allioli N, Quignodon L, Chuzel T, Flamant F, Samarut J: Thyroid hormone receptor alpha is a molecular switch of cardiac function between fetal and postnatal life. Proc Natl Acad Sci U S A. 2004 Jul 13;101(28):10332-7. Epub 2004 Jul 6.@@Sciaudone MP, Yao L, Schaller M, Zinn SA, Freake HC: Diethylenetriaminepentaacetic acid enhances thyroid hormone action by a transcriptional mechanism. Biol Trace Elem Res. 2004 Summer;99(1-3):219-31.@@Timmer DC, Bakker O, Wiersinga WM: Triiodothyronine affects the alternative splicing of thyroid hormone receptor alpha mRNA. J Endocrinol. 2003 Nov;179(2):217-25.@@Bernal J: Thyroid hormone receptors in brain development and function. Nat Clin Pract Endocrinol Metab. 2007 Mar;3(3):249-59.@@Nakajima Y, Yamada M, Horiguchi K, Satoh T, Hashimoto K, Tokuhiro E, Onigata K, Mori M: Resistance to thyroid hormone due to a novel thyroid hormone receptor mutant in a patient with hypothyroidism secondary to lingual thyroid and functional characterization of the mutant receptor. Thyroid. 2010 Aug;20(8):917-26. doi: 10.1089/thy.2009.0389.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6." Approved Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "l-Triiodothyronine; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; P-glycoprotein inducers; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Agents used to treat hypothyroidism; Hormones; Thyroxine-binding globulin substrates; Amino Acids; Thyroid Products; Cytochrome P-450 CYP3A4 Substrates; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Amino Acids, Cyclic; OATP1B3 substrates; Thyronines; Hormones, Hormone Substitutes, and Hormone Antagonists" [Na+].[Na+].N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C([O-])=O.N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C([O-])=O 46506203 D00361 PA164748036 Liotrix DB01583 Liotrix BE0000315 THRB P10828 THB_HUMAN agonist 17315033; 12668276; 12776178; 10592235; 16099238; 18816177; 20151830; 16053391; 17016423; 17139284 "Bernal J: Thyroid hormone receptors in brain development and function. Nat Clin Pract Endocrinol Metab. 2007 Mar;3(3):249-59.@@Gonzalez-Sancho JM, Garcia V, Bonilla F, Munoz A: Thyroid hormone receptors/THR genes in human cancer. Cancer Lett. 2003 Mar 31;192(2):121-32.@@Yen PM, Feng X, Flamant F, Chen Y, Walker RL, Weiss RE, Chassande O, Samarut J, Refetoff S, Meltzer PS: Effects of ligand and thyroid hormone receptor isoforms on hepatic gene expression profiles of thyroid hormone receptor knockout mice. EMBO Rep. 2003 Jun;4(6):581-7.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Wu SY, Sadow PM, Refetoff S, Weiss RE: Tissue responses to thyroid hormone in a kindred with resistance to thyroid hormone harboring a commonly occurring mutation in the thyroid hormone receptor beta gene (P453T). J Lab Clin Med. 2005 Aug;146(2):85-94.@@Marazuela M, Nattero L, Moure D, Garcia-Polo I, Figueroa-Vega N, Guijarro C: Thyroid hormone resistance and pituitary enlargement after thyroid ablation in a woman on levothyroxine treatment. Thyroid. 2008 Oct;18(10):1119-23. doi: 10.1089/thy.2007.0375.@@Sivakumar T, Chaidarun S: Resistance to thyroid hormone in a patient with coexisting Graves' disease. Thyroid. 2010 Feb;20(2):213-6. doi: 10.1089/thy.2009.0175.@@Grasberger H, Ringkananont U, Croxson M, Refetoff S: Resistance to thyroid hormone in a patient with thyroid dysgenesis. Thyroid. 2005 Jul;15(7):730-3.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6." Approved Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "l-Triiodothyronine; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; P-glycoprotein inducers; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Agents used to treat hypothyroidism; Hormones; Thyroxine-binding globulin substrates; Amino Acids; Thyroid Products; Cytochrome P-450 CYP3A4 Substrates; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Amino Acids, Cyclic; OATP1B3 substrates; Thyronines; Hormones, Hormone Substitutes, and Hormone Antagonists" [Na+].[Na+].N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C([O-])=O.N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C([O-])=O 46506203 D00361 PA164748036 Liotrix DB01586 Ursodeoxycholic acid BE0000622 AKR1C2 P52895 AK1C2_HUMAN inhibitor 17139284; 17016423; 19747134; 18826220; 9973208; 24929818 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Amaral JD, Sola S, Steer CJ, Rodrigues CM: Role of nuclear steroid receptors in apoptosis. Curr Med Chem. 2009;16(29):3886-902.@@Halim M, Yee DJ, Sames D: Imaging induction of cytoprotective enzymes in intact human cells: coumberone, a metabolic reporter for human AKR1C enzymes reveals activation by panaxytriol, an active component of red ginseng. J Am Chem Soc. 2008 Oct 29;130(43):14123-8. doi: 10.1021/ja801245y. Epub 2008 Oct 1.@@Burczynski ME, Lin HK, Penning TM: Isoform-specific induction of a human aldo-keto reductase by polycyclic aromatic hydrocarbons (PAHs), electrophiles, and oxidative stress: implications for the alternative pathway of PAH activation catalyzed by human dihydrodiol dehydrogenase. Cancer Res. 1999 Feb 1;59(3):607-14.@@Martin N, Salazar-Cardozo C, Vercamer C, Ott L, Marot G, Slijepcevic P, Abbadie C, Pluquet O: Identification of a gene signature of a pre-transformation process by senescence evasion in normal human epidermal keratinocytes. Mol Cancer. 2014 Jun 14;13:151. doi: 10.1186/1476-4598-13-151." Approved; Investigational "Dihydroxy bile acids, alcohols and derivatives" "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" BSEP/ABCB11 inducers; Bile Acids and Salts; Gastrointestinal Agents; Cytochrome P-450 Enzyme Inducers; Cholic Acids; Bile acids and derivatives; Bile Acid Preparations; Cholagogues and Choleretics; Cholelitholytic Agents; Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Cholanes; Bile Therapy; BSEP/ABCB11 Substrates; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Bile and Liver Therapy [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O 952 46508795 D00734 PA451837 DNC000420 Ursodeoxycholic_acid CHEMBL1551 11065 DB01586 Ursodeoxycholic acid BE0001777 NR1H4 Q96RI1 NR1H4_HUMAN partial agonist 15935148 "Campana G, Pasini P, Roda A, Spampinato S: Regulation of ileal bile acid-binding protein expression in Caco-2 cells by ursodeoxycholic acid: role of the farnesoid X receptor. Biochem Pharmacol. 2005 Jun 15;69(12):1755-63." Approved; Investigational "Dihydroxy bile acids, alcohols and derivatives" "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" BSEP/ABCB11 inducers; Bile Acids and Salts; Gastrointestinal Agents; Cytochrome P-450 Enzyme Inducers; Cholic Acids; Bile acids and derivatives; Bile Acid Preparations; Cholagogues and Choleretics; Cholelitholytic Agents; Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Cholanes; Bile Therapy; BSEP/ABCB11 Substrates; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Bile and Liver Therapy [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O 952 46508795 D00734 PA451837 DNC000420 Ursodeoxycholic_acid CHEMBL1551 11065 DB01587 Ketazolam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Cytochrome P-450 CYP3A Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Psycholeptics; Cytochrome P-450 CYP3A4 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Nervous System" CN1C2=C(C=C(Cl)C=C2)C2(OC(C)=CC(=O)N2CC1=O)C1=CC=CC=C1 2010 46507008 PA164749385 Ketazolam CHEMBL2104356 28181 DB01588 Prazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved; Illicit "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "GABA Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychotropic Drugs; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Tranquilizing Agents; GABA Modulators; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Psycholeptics" ClC1=CC2=C(C=C1)N(CC1CC1)C(=O)CN=C2C1=CC=CC=C1 46505417 D00470 PA164776668 DAP000689 Prazepam CHEMBL969 8627 DB01589 Quazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved; Illicit "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Cytochrome P-450 CYP2B6 Inhibitors; Benzazepines; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Hypnotics and Sedatives; Cytochrome P-450 CYP3A Substrates; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP3A4 Substrates; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates" FC1=CC=CC=C1C1=NCC(=S)N(CC(F)(F)F)C2=C1C=C(Cl)C=C2 46505952 D00457 PA164744373 DAP000690 Quazepam CHEMBL1200472 35185 DB01590 Everolimus BE0002386 MTOR P42345 MTOR_HUMAN inhibitor 18466433; 20155724; 19774211; 19344392; 20569080; 20531964; 11752352 "Ettenger R, Hoyer PF, Grimm P, Webb N, Loirat C, Mahan JD, Mentser M, Niaudet P, Offner G, Vandamme-Lombaerts R, Hexham JM: Multicenter trial of everolimus in pediatric renal transplant recipients: results at three year. Pediatr Transplant. 2008 Jun;12(4):456-63. doi: 10.1111/j.1399-3046.2007.00832.x.@@Rostaing L, Kamar N: mTOR inhibitor/proliferation signal inhibitors: entering or leaving the field? J Nephrol. 2010 Mar-Apr;23(2):133-42.@@George S, Bukowski RM: Role of everolimus in the treatment of renal cell carcinoma. Ther Clin Risk Manag. 2009 Oct;5(5):699-706. Epub 2009 Sep 15.@@Teachey DT, Grupp SA, Brown VI: Mammalian target of rapamycin inhibitors and their potential role in therapy in leukaemia and other haematological malignancies. Br J Haematol. 2009 Jun;145(5):569-80. doi: 10.1111/j.1365-2141.2009.07657.x. Epub 2009 Mar 16.@@Albert S, Serova M, Dreyer C, Sablin MP, Faivre S, Raymond E: New inhibitors of the mammalian target of rapamycin signaling pathway for cancer. Expert Opin Investig Drugs. 2010 Aug;19(8):919-30. doi: 10.1517/13543784.2010.499121.@@Coppin C: Everolimus: the first approved product for patients with advanced renal cell cancer after sunitinib and/or sorafenib. Biologics. 2010 May 25;4:91-101.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Macrolide lactams Organic compounds; Phenylpropanoids and polyketides; Macrolide lactams OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cancer immunotherapy; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; Hyperglycemia-Associated Agents; Mammalian target of rapamycin (mTOR) kinase inhibitors; Protein Kinase Inhibitors; Immunotherapy; Cytochrome P-450 Substrates; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; mTOR Inhibitor Immunosuppressant; Cytochrome P-450 CYP3A Inhibitors; Decreased Immunologic Activity; Macrolides; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Selective Immunosuppressants; Lactones; Polyketides; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; mTOR Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs [H][C@@]1(C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](OCCO)[C@@H](C1)OC 13238 46505248 D02714 PA164746311 DAP001223 Everolimus CHEMBL1908360 141704 DB01591 Solifenacin BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 17139284; 17016423; 19446545; 20590605; 19029429; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Ito Y, Oyunzul L, Yoshida A, Fujino T, Noguchi Y, Yuyama H, Ohtake A, Suzuki M, Sasamata M, Matsui M, Yamada S: Comparison of muscarinic receptor selectivity of solifenacin and oxybutynin in the bladder and submandibular gland of muscarinic receptor knockout mice. Eur J Pharmacol. 2009 Aug 1;615(1-3):201-6. doi: 10.1016/j.ejphar.2009.04.068. Epub 2009 May 13.@@Sinha S, Gupta S, Malhotra S, Krishna NS, Meru AV, Babu V, Bansal V, Garg M, Kumar N, Chugh A, Ray A: AE9C90CB: a novel, bladder-selective muscarinic receptor antagonist for the treatment of overactive bladder. Br J Pharmacol. 2010 Jul;160(5):1119-27. doi: 10.1111/j.1476-5381.2010.00752.x.@@Mansfield KJ, Chandran JJ, Vaux KJ, Millard RJ, Christopoulos A, Mitchelson FJ, Burcher E: Comparison of receptor binding characteristics of commonly used muscarinic antagonists in human bladder detrusor and mucosa. J Pharmacol Exp Ther. 2009 Mar;328(3):893-9. doi: 10.1124/jpet.108.145508. Epub 2008 Nov 24.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved 1-phenyltetrahydroisoquinolines Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 1-phenyltetrahydroisoquinolines "QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Urological Agents; Cytochrome P-450 Substrates; Genito Urinary System and Sex Hormones; Tetrahydroisoquinolines; Quinuclidines; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Urologicals; Agents that produce hypertension; Isoquinolines; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Neurotransmitter Agents; Drugs Used in Benign Prostatic Hypertrophy" O=C(O[C@H]1CN2CCC1CC2)N1CCC2=CC=CC=C2[C@@H]1C1=CC=CC=C1 18175 46506006 D08522 PA164783810 DAP001129 Solifenacin CHEMBL1734 322167 DB01591 Solifenacin BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 20590605; 19029429 "Sinha S, Gupta S, Malhotra S, Krishna NS, Meru AV, Babu V, Bansal V, Garg M, Kumar N, Chugh A, Ray A: AE9C90CB: a novel, bladder-selective muscarinic receptor antagonist for the treatment of overactive bladder. Br J Pharmacol. 2010 Jul;160(5):1119-27. doi: 10.1111/j.1476-5381.2010.00752.x.@@Mansfield KJ, Chandran JJ, Vaux KJ, Millard RJ, Christopoulos A, Mitchelson FJ, Burcher E: Comparison of receptor binding characteristics of commonly used muscarinic antagonists in human bladder detrusor and mucosa. J Pharmacol Exp Ther. 2009 Mar;328(3):893-9. doi: 10.1124/jpet.108.145508. Epub 2008 Nov 24." Approved 1-phenyltetrahydroisoquinolines Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 1-phenyltetrahydroisoquinolines "QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Urological Agents; Cytochrome P-450 Substrates; Genito Urinary System and Sex Hormones; Tetrahydroisoquinolines; Quinuclidines; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Urologicals; Agents that produce hypertension; Isoquinolines; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Neurotransmitter Agents; Drugs Used in Benign Prostatic Hypertrophy" O=C(O[C@H]1CN2CCC1CC2)N1CCC2=CC=CC=C2[C@@H]1C1=CC=CC=C1 18175 46506006 D08522 PA164783810 DAP001129 Solifenacin CHEMBL1734 322167 DB01591 Solifenacin BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 19029429 "Mansfield KJ, Chandran JJ, Vaux KJ, Millard RJ, Christopoulos A, Mitchelson FJ, Burcher E: Comparison of receptor binding characteristics of commonly used muscarinic antagonists in human bladder detrusor and mucosa. J Pharmacol Exp Ther. 2009 Mar;328(3):893-9. doi: 10.1124/jpet.108.145508. Epub 2008 Nov 24." Approved 1-phenyltetrahydroisoquinolines Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 1-phenyltetrahydroisoquinolines "QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Urological Agents; Cytochrome P-450 Substrates; Genito Urinary System and Sex Hormones; Tetrahydroisoquinolines; Quinuclidines; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Urologicals; Agents that produce hypertension; Isoquinolines; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Neurotransmitter Agents; Drugs Used in Benign Prostatic Hypertrophy" O=C(O[C@H]1CN2CCC1CC2)N1CCC2=CC=CC=C2[C@@H]1C1=CC=CC=C1 18175 46506006 D08522 PA164783810 DAP001129 Solifenacin CHEMBL1734 322167 DB01592 Iron BE0008725 TFRC P02786 TFR1_HUMAN 16564538 "Hemadi M, Ha-Duong NT, El Hage Chahine JM: The mechanism of iron release from the transferrin-receptor 1 adduct. J Mol Biol. 2006 May 12;358(4):1125-36. Epub 2006 Mar 13." Approved Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Supplements; Physiological Phenomena; Metals; Antianemic Preparations; Diet, Food, and Nutrition; Transition Elements; Blood and Blood Forming Organs; Elements; Iron Compounds; Food; Trace Elements; Iron Preparations; Antianemia Drugs; Metals, Heavy; Alimentary Tract and Metabolism; Micronutrients" [Fe] "Cerivastatin Action Pathway; Oxidation of Branched-Chain Fatty Acids; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Galactosemia III; Smith-Lemli-Opitz Syndrome (SLOS); Tyrosine Metabolism; Zellweger Syndrome; Hereditary Coproporphyria (HCP); Hypercholesterolemia; Glucose-6-phosphate Dehydrogenase Deficiency; Mevalonic Aciduria; Porphyrin Metabolism; Tryptophan Metabolism; Taurine and Hypotaurine Metabolism; Pentose Phosphate Pathway; Inositol Metabolism; Catecholamine Biosynthesis; Phenylketonuria; Vitamin A Deficiency; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cystinosis, Ocular Nonnephropathic; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Lovastatin Action Pathway; Nucleotide Sugars Metabolism; Aromatic L-Aminoacid Decarboxylase Deficiency; Cysteine Metabolism; Galactose Metabolism; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 2080 46509190 PA450087 DAP001313 Iron 262150 DB01592 Iron BE0002217 EGLN1 Q9GZT9 EGLN1_HUMAN 16649251 "Davidson TL, Chen H, Di Toro DM, D'Angelo G, Costa M: Soluble nickel inhibits HIF-prolyl-hydroxylases creating persistent hypoxic signaling in A549 cells. Mol Carcinog. 2006 Jul;45(7):479-89." Approved Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Supplements; Physiological Phenomena; Metals; Antianemic Preparations; Diet, Food, and Nutrition; Transition Elements; Blood and Blood Forming Organs; Elements; Iron Compounds; Food; Trace Elements; Iron Preparations; Antianemia Drugs; Metals, Heavy; Alimentary Tract and Metabolism; Micronutrients" [Fe] "Cerivastatin Action Pathway; Oxidation of Branched-Chain Fatty Acids; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Galactosemia III; Smith-Lemli-Opitz Syndrome (SLOS); Tyrosine Metabolism; Zellweger Syndrome; Hereditary Coproporphyria (HCP); Hypercholesterolemia; Glucose-6-phosphate Dehydrogenase Deficiency; Mevalonic Aciduria; Porphyrin Metabolism; Tryptophan Metabolism; Taurine and Hypotaurine Metabolism; Pentose Phosphate Pathway; Inositol Metabolism; Catecholamine Biosynthesis; Phenylketonuria; Vitamin A Deficiency; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cystinosis, Ocular Nonnephropathic; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Lovastatin Action Pathway; Nucleotide Sugars Metabolism; Aromatic L-Aminoacid Decarboxylase Deficiency; Cysteine Metabolism; Galactose Metabolism; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 2080 46509190 PA450087 DAP001313 Iron 262150 DB01592 Iron BE0001608 HDAC8 Q9BY41 HDAC8_HUMAN cofactor 16681389 "Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8." Approved Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Supplements; Physiological Phenomena; Metals; Antianemic Preparations; Diet, Food, and Nutrition; Transition Elements; Blood and Blood Forming Organs; Elements; Iron Compounds; Food; Trace Elements; Iron Preparations; Antianemia Drugs; Metals, Heavy; Alimentary Tract and Metabolism; Micronutrients" [Fe] "Cerivastatin Action Pathway; Oxidation of Branched-Chain Fatty Acids; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Galactosemia III; Smith-Lemli-Opitz Syndrome (SLOS); Tyrosine Metabolism; Zellweger Syndrome; Hereditary Coproporphyria (HCP); Hypercholesterolemia; Glucose-6-phosphate Dehydrogenase Deficiency; Mevalonic Aciduria; Porphyrin Metabolism; Tryptophan Metabolism; Taurine and Hypotaurine Metabolism; Pentose Phosphate Pathway; Inositol Metabolism; Catecholamine Biosynthesis; Phenylketonuria; Vitamin A Deficiency; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cystinosis, Ocular Nonnephropathic; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Lovastatin Action Pathway; Nucleotide Sugars Metabolism; Aromatic L-Aminoacid Decarboxylase Deficiency; Cysteine Metabolism; Galactose Metabolism; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 2080 46509190 PA450087 DAP001313 Iron 262150 DB01592 Iron BE0005817 NEIL2 Q969S2 NEIL2_HUMAN 20622253 "Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9." Approved Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Supplements; Physiological Phenomena; Metals; Antianemic Preparations; Diet, Food, and Nutrition; Transition Elements; Blood and Blood Forming Organs; Elements; Iron Compounds; Food; Trace Elements; Iron Preparations; Antianemia Drugs; Metals, Heavy; Alimentary Tract and Metabolism; Micronutrients" [Fe] "Cerivastatin Action Pathway; Oxidation of Branched-Chain Fatty Acids; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Galactosemia III; Smith-Lemli-Opitz Syndrome (SLOS); Tyrosine Metabolism; Zellweger Syndrome; Hereditary Coproporphyria (HCP); Hypercholesterolemia; Glucose-6-phosphate Dehydrogenase Deficiency; Mevalonic Aciduria; Porphyrin Metabolism; Tryptophan Metabolism; Taurine and Hypotaurine Metabolism; Pentose Phosphate Pathway; Inositol Metabolism; Catecholamine Biosynthesis; Phenylketonuria; Vitamin A Deficiency; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cystinosis, Ocular Nonnephropathic; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Lovastatin Action Pathway; Nucleotide Sugars Metabolism; Aromatic L-Aminoacid Decarboxylase Deficiency; Cysteine Metabolism; Galactose Metabolism; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 2080 46509190 PA450087 DAP001313 Iron 262150 DB01592 Iron BE0000113 POLB P06746 DPOLB_HUMAN 20622253 "Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9." Approved Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Supplements; Physiological Phenomena; Metals; Antianemic Preparations; Diet, Food, and Nutrition; Transition Elements; Blood and Blood Forming Organs; Elements; Iron Compounds; Food; Trace Elements; Iron Preparations; Antianemia Drugs; Metals, Heavy; Alimentary Tract and Metabolism; Micronutrients" [Fe] "Cerivastatin Action Pathway; Oxidation of Branched-Chain Fatty Acids; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Galactosemia III; Smith-Lemli-Opitz Syndrome (SLOS); Tyrosine Metabolism; Zellweger Syndrome; Hereditary Coproporphyria (HCP); Hypercholesterolemia; Glucose-6-phosphate Dehydrogenase Deficiency; Mevalonic Aciduria; Porphyrin Metabolism; Tryptophan Metabolism; Taurine and Hypotaurine Metabolism; Pentose Phosphate Pathway; Inositol Metabolism; Catecholamine Biosynthesis; Phenylketonuria; Vitamin A Deficiency; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cystinosis, Ocular Nonnephropathic; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Lovastatin Action Pathway; Nucleotide Sugars Metabolism; Aromatic L-Aminoacid Decarboxylase Deficiency; Cysteine Metabolism; Galactose Metabolism; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 2080 46509190 PA450087 DAP001313 Iron 262150 DB01592 Iron BE0001140 CP P00450 CERU_HUMAN 21049900 "Ha-Duong NT, Eid C, Hemadi M, El Hage Chahine JM: In vitro interaction between ceruloplasmin and human serum transferrin. Biochemistry. 2010 Dec 7;49(48):10261-3. doi: 10.1021/bi1014503. Epub 2010 Nov 9." Approved Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Supplements; Physiological Phenomena; Metals; Antianemic Preparations; Diet, Food, and Nutrition; Transition Elements; Blood and Blood Forming Organs; Elements; Iron Compounds; Food; Trace Elements; Iron Preparations; Antianemia Drugs; Metals, Heavy; Alimentary Tract and Metabolism; Micronutrients" [Fe] "Cerivastatin Action Pathway; Oxidation of Branched-Chain Fatty Acids; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Galactosemia III; Smith-Lemli-Opitz Syndrome (SLOS); Tyrosine Metabolism; Zellweger Syndrome; Hereditary Coproporphyria (HCP); Hypercholesterolemia; Glucose-6-phosphate Dehydrogenase Deficiency; Mevalonic Aciduria; Porphyrin Metabolism; Tryptophan Metabolism; Taurine and Hypotaurine Metabolism; Pentose Phosphate Pathway; Inositol Metabolism; Catecholamine Biosynthesis; Phenylketonuria; Vitamin A Deficiency; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cystinosis, Ocular Nonnephropathic; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Lovastatin Action Pathway; Nucleotide Sugars Metabolism; Aromatic L-Aminoacid Decarboxylase Deficiency; Cysteine Metabolism; Galactose Metabolism; The Oncogenic Action of Fumarate" disease; metabolic; drug_action 2080 46509190 PA450087 DAP001313 Iron 262150 DB01593 Zinc BE0004528 EEF1A1 P68104 EF1A1_HUMAN 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0002467 P4HB P07237 PDIA1_HUMAN 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0008980 PDIA3 P30101 PDIA3_HUMAN 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0005844 PRDX1 Q06830 PRDX1_HUMAN 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0004590 PSPH P78330 SERB_HUMAN 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0003844 TPI1 P60174 TPIS_HUMAN 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0004542 TUFM P49411 EFTU_HUMAN 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0000123 ESR1 P03372 ESR1_HUMAN cofactor 14640689 "Payne JC, Rous BW, Tenderholt AL, Godwin HA: Spectroscopic determination of the binding affinity of zinc to the DNA-binding domains of nuclear hormone receptors. Biochemistry. 2003 Dec 9;42(48):14214-24." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0005815 CCS O14618 CCS_HUMAN 15736924 "Stasser JP, Eisses JF, Barry AN, Kaplan JH, Blackburn NJ: Cysteine-to-serine mutants of the human copper chaperone for superoxide dismutase reveal a copper cluster at a domain III dimer interface. Biochemistry. 2005 Mar 8;44(9):3143-52." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0002365 HDAC1 Q13547 HDAC1_HUMAN cofactor 16439135 "Bhuiyan MP, Kato T, Okauchi T, Nishino N, Maeda S, Nishino TG, Yoshida M: Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Bioorg Med Chem. 2006 May 15;14(10):3438-46. Epub 2006 Jan 24." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0003523 HDAC4 P56524 HDAC4_HUMAN cofactor 16439135 "Bhuiyan MP, Kato T, Okauchi T, Nishino N, Maeda S, Nishino TG, Yoshida M: Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Bioorg Med Chem. 2006 May 15;14(10):3438-46. Epub 2006 Jan 24." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0002390 SOD1 P00441 SODC_HUMAN 16583143 "Krishnan U, Son M, Rajendran B, Elliott JL: Novel mutations that enhance or repress the aggregation potential of SOD1. Mol Cell Biochem. 2006 Jul;287(1-2):201-11. Epub 2006 Apr 1." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0001608 HDAC8 Q9BY41 HDAC8_HUMAN cofactor 16681389 "Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0005834 SIVA1 O15304 SIVA_HUMAN 16683188 "Nestler M, Martin U, Hortschansky P, Saluz HP, Henke A, Munder T: The zinc containing pro-apoptotic protein siva interacts with the peroxisomal membrane protein pmp22. Mol Cell Biochem. 2006 Jul;287(1-2):147-55. Epub 2006 May 9." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0000433 GLRA1 P23415 GLRA1_HUMAN 16842826 "Chen Z, Dillon GH, Huang R: Identification of residues critical for Cu2+-mediated inhibition of glycine alpha1 receptors. Neuropharmacology. 2006 Sep;51(4):701-8. Epub 2006 Jul 12." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0005835 UTRN P46939 UTRO_HUMAN 17009962 "Hnia K, Zouiten D, Cantel S, Chazalette D, Hugon G, Fehrentz JA, Masmoudi A, Diment A, Bramham J, Mornet D, Winder SJ: ZZ domain of dystrophin and utrophin: topology and mapping of a beta-dystroglycan interaction site. Biochem J. 2007 Feb 1;401(3):667-77." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0008994 TP73 O15350 P73_HUMAN cofactor 17170001 "Lokshin M, Li Y, Gaiddon C, Prives C: p53 and p73 display common and distinct requirements for sequence specific binding to DNA. Nucleic Acids Res. 2007;35(1):340-52. Epub 2006 Dec 14." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0003380 TP53 P04637 P53_HUMAN 17327663 "Wang Y, Rosengarth A, Luecke H: Structure of the human p53 core domain in the absence of DNA. Acta Crystallogr D Biol Crystallogr. 2007 Mar;63(Pt 3):276-81. Epub 2007 Feb 21." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0005812 PDCD6 O75340 PDCD6_HUMAN 18997320 "Suzuki H, Kawasaki M, Kakiuchi T, Shibata H, Wakatsuki S, Maki M: Crystallization and X-ray diffraction analysis of N-terminally truncated human ALG-2. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2008 Nov 1;64(Pt 11):974-7. doi: 10.1107/S1744309108030297. Epub 2008 Oct 31." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0009047 A1BG P04217 A1BG_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0000910 A2M P01023 A2MG_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0009048 AHSG P02765 FETUA_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0009069 APOL1 O14791 APOL1_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0001529 C1S P09871 C1S_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0003455 C3 P01024 CO3_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0004686 C4B P0C0L5 CO4B_HUMAN 14522582 "Blom AM, Kask L, Ramesh B, Hillarp A: Effects of zinc on factor I cofactor activity of C4b-binding protein and factor H. Arch Biochem Biophys. 2003 Oct 15;418(2):108-18." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0000855 C5 P01031 CO5_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0009071 BRCC3 P46736 BRCC3_HUMAN 26344097 "Zeqiraj E, Tian L, Piggott CA, Pillon MC, Duffy NM, Ceccarelli DF, Keszei AF, Lorenzen K, Kurinov I, Orlicky S, Gish GD, Heck AJ, Guarne A, Greenberg RA, Sicheri F: Higher-Order Assembly of BRCC36-KIAA0157 Is Required for DUB Activity and Biological Function. Mol Cell. 2015 Sep 17;59(6):970-83. doi: 10.1016/j.molcel.2015.07.028. Epub 2015 Sep 3." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0009053 CFH P08603 CFAH_HUMAN 21396937 "Nan R, Farabella I, Schumacher FF, Miller A, Gor J, Martin AC, Jones DT, Lengyel I, Perkins SJ: Zinc binding to the Tyr402 and His402 allotypes of complement factor H: possible implications for age-related macular degeneration. J Mol Biol. 2011 May 13;408(4):714-35. doi: 10.1016/j.jmb.2011.03.006. Epub 2011 Mar 17." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0009054 CFI P05156 CFAI_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0001140 CP P00450 CERU_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0003504 CPN2 P22792 CPN2_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0009075 F13B P05160 F13B_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0001180 FN1 P02751 FINC_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0004161 GSN P06396 GELS_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0009081 ITIH3 Q06033 ITIH3_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0002440 KLKB1 P03952 KLKB1_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0009061 KRT1 P04264 K2C1_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0009062 KRT10 P13645 K1C10_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0004613 PGLYRP2 Q96PD5 PGRP2_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0000930 PON1 P27169 PON1_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0005533 SEPP1 P49908 SEPP1_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0000775 SERPIND1 P05546 HEP2_HUMAN 12706831 "Eckert R, Ragg H: Zinc ions promote the interaction between heparin and heparin cofactor II. FEBS Lett. 2003 Apr 24;541(1-3):121-5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0000685 SHBG P04278 SHBG_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0000337 TTR P02766 TTHY_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0009093 APLP2 Q06481 APLP2_HUMAN cofactor 24855651 "Mayer MC, Kaden D, Schauenburg L, Hancock MA, Voigt P, Roeser D, Barucker C, Than ME, Schaefer M, Multhaup G: Novel zinc-binding site in the E2 domain regulates amyloid precursor-like protein 1 (APLP1) oligomerization. J Biol Chem. 2014 Jul 4;289(27):19019-30. doi: 10.1074/jbc.M114.570382. Epub 2014 May 22." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0003392 APP P05067 A4_HUMAN cofactor 24855651 "Mayer MC, Kaden D, Schauenburg L, Hancock MA, Voigt P, Roeser D, Barucker C, Than ME, Schaefer M, Multhaup G: Novel zinc-binding site in the E2 domain regulates amyloid precursor-like protein 1 (APLP1) oligomerization. J Biol Chem. 2014 Jul 4;289(27):19019-30. doi: 10.1074/jbc.M114.570382. Epub 2014 May 22." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01593 Zinc BE0001717 PARP1 P09874 PARP1_HUMAN 25549802 "Bossak K, Goch W, Piatek K, Fraczyk T, Poznanski J, Bonna A, Keil C, Hartwig A, Bal W: Unusual Zn(II) Affinities of Zinc Fingers of Poly(ADP-ribose)Polymerase 1 (PARP-1) Nuclear Protein. Chem Res Toxicol. 2015 Feb 16;28(2):191-201." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients" [Zn] Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia disease; metabolic; drug_action 138 46506903 PA451956 Zinc CHEMBL1201279 11416 DB01594 Cinolazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Experimental "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Benzazepines; Heterocyclic Compounds, Fused-Ring; Hypnotics and Sedatives; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Benzodiazepine hypnotics and sedatives; Nervous System; Psycholeptics" OC1N=C(C2=CC=CC=C2F)C2=C(C=CC(Cl)=C2)N(CCC#N)C1=O 46508803 D07328 PA164748034 DAP001250 Cinolazepam CHEMBL2104926 DB01595 Nitrazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Cytochrome P-450 CYP3A Substrates; Muscle Relaxants, Centrally Acting Agents; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Muscle Relaxants; Psycholeptics; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anticonvulsants" [O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2)C=C1 9558 46505806 D00531 PA10242 DAP000691 Nitrazepam CHEMBL13209 7440 DB01597 Cilastatin BE0001148 DPEP1 P16444 DPEP1_HUMAN inhibitor 17139284; 17016423; 3038022; 3480361; 2571484; 9573653; 3780719; 3474745; 11752352; 7492120; 2844265; 3863619 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Farrell CA, Allegretto NJ, Hitchcock MJ: Cilastatin-sensitive dehydropeptidase I enzymes from three sources all catalyze carbapenem hydrolysis and conversion of leukotriene D4 to leukotriene E4. Arch Biochem Biophys. 1987 Jul;256(1):253-9.@@Kumon H, Nasu Y, Ohmori H, Kodama H, Konishi Y: [Effects of cilastatin sodium, an inhibitor of dehydropeptidase-I, on human urinary peptide excretion. Patients with renal insufficiency]. Jpn J Antibiot. 1987 Sep;40(9):1571-83.@@Lin JH, Chen IW, Ulm EH: Dose-dependent kinetics of cilastatin in laboratory animals. Drug Metab Dispos. 1989 Jul-Aug;17(4):426-32.@@Richerson MA, Ambrose PG, Quintiliani R, Nightingale CH: Formulary review of the carbapenems: comparison of imipenem/cilastatin and meropenem. Conn Med. 1998 Mar;62(3):165-9.@@Hirota T, Nishikawa Y, Tanaka M, Igarashi T, Kitagawa H: Characterization of dehydropeptidase I in the rat lung. Eur J Biochem. 1986 Nov 3;160(3):521-5.@@Hirota T, Nishikawa Y, Komai T, Igarashi T, Kitagawa H: Role of dehydropeptidase-I in the metabolism of glutathione and its conjugates in the rat kidney. Res Commun Chem Pathol Pharmacol. 1987 May;56(2):235-42.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Keynan S, Hooper NM, Felici A, Amicosante G, Turner AJ: The renal membrane dipeptidase (dehydropeptidase I) inhibitor, cilastatin, inhibits the bacterial metallo-beta-lactamase enzyme CphA. Antimicrob Agents Chemother. 1995 Jul;39(7):1629-31.@@Campbell BJ, Di Shih Y, Forrester LJ, Zahler WL: Specificity and inhibition studies of human renal dipeptidase. Biochim Biophys Acta. 1988 Sep 21;956(2):110-8. doi: 10.1016/0167-4838(88)90256-7.@@Koller M, Brom J, Raulf M, Konig W: Cilastatin (MK 0791) is a potent and specific inhibitor of the renal leukotriene D4-dipeptidase. Biochem Biophys Res Commun. 1985 Sep 16;131(2):974-9. doi: 10.1016/0006-291x(85)91335-x." Approved; Investigational N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Cyclopropanes; Dipeptidase Inhibitors; Protease Inhibitors; OAT3/SLC22A8 Inhibitors; Cycloparaffins; Enzyme Inhibitors; Renal Dehydropeptidase Inhibitor; OAT1/SLC22A6 inhibitors CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O 11321 46505611 D07698 PA448998 DAP000632 Cilastatin CHEMBL766 2540 DB01608 Periciazine BE0000132 AR P10275 ANDR_HUMAN 17606915 "Bisson WH, Cheltsov AV, Bruey-Sedano N, Lin B, Chen J, Goldberger N, May LT, Christopoulos A, Dalton JT, Sexton PM, Zhang XK, Abagyan R: Discovery of antiandrogen activity of nonsteroidal scaffolds of marketed drugs. Proc Natl Acad Sci U S A. 2007 Jul 17;104(29):11927-32. Epub 2007 Jul 2." Approved; Investigational Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Antipsychotic Agents; Phenothiazines; Phenothiazines With Piperidine Structure; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Central Nervous System Depressants; Adrenergic Antagonists; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Sulfur Compounds; Agents that produce hypertension; Adrenergic alpha-Antagonists; Dopamine Antagonists; Psycholeptics; Neurotoxic agents" OC1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C#N)CC1 13098 46505085 D01485 PA164781043 DAP000413 Propericiazine CHEMBL251940 8766 DB01611 Hydroxychloroquine BE0000982 ACE2 Q9BYF1 ACE2_HUMAN modulator 16115318 "Vincent MJ, Bergeron E, Benjannet S, Erickson BR, Rollin PE, Ksiazek TG, Seidah NG, Nichol ST: Chloroquine is a potent inhibitor of SARS coronavirus infection and spread. Virol J. 2005 Aug 22;2:69. doi: 10.1186/1743-422X-2-69." Approved 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Photosensitizing Agents; Antiprotozoals; Antimalarials; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Aminoquinolines; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Immunosuppressive Agents; Anti-Infective Agents; Antirheumatic Agents; Quinolines" CCN(CCO)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1 6506 46508459 D08050 PA164777036 DAP000878 Hydroxychloroquine CHEMBL1535 5521 DB01615 Aceprometazine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 17139284; 17016423; 4406367; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Mercier J, Dessaigne S, Menguy A, Manez J: Electro-encephalographic study on the action of the combination meprobamate-aceprometazine on various cerebral systems. Arzneimittelforschung. 1974 Feb;24(2):163-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Antipsychotic Agents; Phenothiazines; Heterocyclic Compounds, Fused-Ring; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; QTc Prolonging Agents; Histamine Antagonists; Tranquilizing Agents; Neurotransmitter Agents; Histamine H1 Antagonists; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Dopamine Antagonists; Dopamine Agents; Neurotoxic agents" CC(CN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O)N(C)C 46506646 PA164743727 DAP001075 Aceprometazine CHEMBL2104054 161203 DB01619 Phenindamine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 17016423; 7650688; 1360991; 1686618; 11752352 "Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@ter Laak AM, Venhorst J, Donne-Op den Kelder GM, Timmerman H: The histamine H1-receptor antagonist binding site. A stereoselective pharmacophoric model based upon (semi-)rigid H1-antagonists and including a known interaction site on the receptor. J Med Chem. 1995 Aug 18;38(17):3351-60.@@Witek TJ Jr, Canestrari DA, Miller RD, Yang JY, Riker DK: The effects of phenindamine tartrate on sleepiness and psychomotor performance. J Allergy Clin Immunol. 1992 Dec;90(6 Pt 1):953-61.@@van Drooge MJ, Donne-op den Kelder GM, Timmerman H: The histamine H1-receptor antagonist binding site. Part I: Active conformation of cyproheptadine. J Comput Aided Mol Des. 1991 Aug;5(4):357-70.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Indenes and isoindenes Organic compounds; Benzenoids; Indenes and isoindenes Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents CN1CCC2=C(C1)C(C1=CC=CC=C21)C1=CC=CC=C1 Phenindamine H1-Antihistamine Action drug_action 46508187 D08353 PA164750491 DAP001073 Phenindamine CHEMBL278398 33283 DB01620 Pheniramine BE0000442 HRH1 P35367 HRH1_HUMAN inverse agonist 17016423; 2567596; 7714410; 11526976; 8835636; 20027159; 14506317; 11752352 "Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Leurs R, Bast A, Timmerman H: High affinity, saturable [3H]mepyramine binding sites on rat liver plasma membrane do not represent histamine H1-receptors. A warning. Biochem Pharmacol. 1989 Jul 1;38(13):2175-80.@@Yanni JM, Stephens DJ, Parnell DW, Spellman JM: Preclinical efficacy of emedastine, a potent, selective histamine H1 antagonist for topical ocular use. J Ocul Pharmacol. 1994 Winter;10(4):665-75.@@Nath C, Gupta MB: Role of central histaminergic system in lorazepam withdrawal syndrome in rats. Pharmacol Biochem Behav. 2001 Apr;68(4):777-82.@@Karadag CH, Ulugol A, Dokmeci D, Dokmeci I: The role of histamine H1-receptors in the anticonvulsive effect of morphine against maximal electroconvulsive shock in mice. Jpn J Pharmacol. 1996 Jun;71(2):109-12.@@Nosal R, Drabikova K, Jancinova V, Moravcova J, Lojek A, Ciz M, Macickova T, Pecivova J: H1-antihistamines and oxidative burst of professional phagocytes. Neuro Endocrinol Lett. 2009;30 Suppl 1:133-6.@@Gepdiremen A, Buyukokuroglu ME, Hacimuftuoglu A, Suleyman H: Contribution of the histaminergic receptor subtypes to histamine-induced cerebellar granular neurotoxicity. Pol J Pharmacol. 2003 May-Jun;55(3):383-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Pheniramines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines "Potential QTc-Prolonging Agents; Anti-Allergic Agents; QTc Prolonging Agents; Histamine Antagonists; Antipruritics; Histamine H1 Antagonists; Antihistamines for Systemic Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Dermatologicals; Antihistamines for Topical Use; Histamine Agents; Pyridines; Histamine H1 Inverse Agonists" CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=N1 Pheniramine H1-Antihistamine Action drug_action 6895 46505932 PA164744506 DAP001063 Pheniramine CHEMBL1193 8132 DB01624 Zuclopenthixol BE0000442 HRH1 P35367 HRH1_HUMAN antagonist Approved; Investigational Thioxanthenes Organic compounds; Organoheterocyclic compounds; Benzothiopyrans; 1-benzothiopyrans "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Xanthenes; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents" OCCN1CCN(CC\C=C2\C3=C(SC4=C2C=C(Cl)C=C4)C=CC=C3)CC1 190 46507341 D03556 PA452629 DAP000845 Zuclopenthixol CHEMBL53904 114176 DB01625 Isopropamide BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 3580704; 29133 "Eglen RM, Whiting RL: Competitive and non-competitive antagonism exhibited by 'selective' antagonists at atrial and ileal muscarinic receptor subtypes. Br J Pharmacol. 1987 Apr;90(4):701-7.@@Lane MA: Muscarinic cholinergic activation of mouse spleen cells cytotoxic to tumor cells in vitro. J Natl Cancer Inst. 1978 Sep;61(3):923-6." Approved; Vet_approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Nitrogen Compounds; Anticholinergic Agents; Muscarinic Antagonists; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Onium Compounds; Amines; Drugs for Functional Gastrointestinal Disorders; Ammonium Compounds; Agents producing tachycardia; Alimentary Tract and Metabolism" CC(C)[N+](C)(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C 6708 46507726 PA164781398 Isopropamide CHEMBL1201232 89784 DB01629 5-fluorouridine BE0002390 SOD1 P00441 SODC_HUMAN 23612299 "Wright GS, Antonyuk SV, Kershaw NM, Strange RW, Samar Hasnain S: Ligand binding and aggregation of pathogenic SOD1. Nat Commun. 2013;4:1758. doi: 10.1038/ncomms2750." Experimental Pyrimidine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides" "Fluorouracil and prodrugs; Ribonucleosides; Nucleosides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Thyroxine-binding globulin inducers; Pyrimidine Nucleosides" OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(F)C(=O)NC1=O 46504520 CHEMBL54918 DB01630 SC-74020 BE0000642 MMP2 P08253 MMP2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Amines; Sulfones; Hydroxy Acids; Hydroxylamines; Sulfur Compounds; Amides CCCCCC1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCN1CCOCC1)[C@H](C(C)C)C(=O)NO 46508106 CHEMBL1233506 DB01632 5-O-phosphono-alpha-D-ribofuranosyl diphosphate BE0000077 HPRT1 P00492 HPRT_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Experimental; Investigational Pentose phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Sugar Phosphates; Carbohydrates; Pentosephosphates O[C@H]1[C@@H](O)[C@@H](OP(O)(=O)OP(O)(O)=O)O[C@@H]1COP(O)(O)=O Lesch-Nyhan Syndrome (LNS); 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Dihydropyrimidinase Deficiency; Molybdenum Cofactor Deficiency; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; Ribose-5-phosphate Isomerase Deficiency; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Thioguanine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Glucose-6-phosphate Dehydrogenase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; UMP Synthase Deficiency (Orotic Aciduria); Pentose Phosphate Pathway; Nicotinate and Nicotinamide Metabolism; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Pyrimidine Metabolism; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency disease; metabolic; drug_action 46506467 DB01632 5-O-phosphono-alpha-D-ribofuranosyl diphosphate BE0004582 UCKL1 Q9NWZ5 UCKL1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Experimental; Investigational Pentose phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Sugar Phosphates; Carbohydrates; Pentosephosphates O[C@H]1[C@@H](O)[C@@H](OP(O)(=O)OP(O)(O)=O)O[C@@H]1COP(O)(O)=O Lesch-Nyhan Syndrome (LNS); 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Dihydropyrimidinase Deficiency; Molybdenum Cofactor Deficiency; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; Ribose-5-phosphate Isomerase Deficiency; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Thioguanine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Glucose-6-phosphate Dehydrogenase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; UMP Synthase Deficiency (Orotic Aciduria); Pentose Phosphate Pathway; Nicotinate and Nicotinamide Metabolism; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Pyrimidine Metabolism; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency disease; metabolic; drug_action 46506467 DB01640 "6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one" BE0001223 PDE3B Q13370 PDE3B_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental C[C@@H]1CC(=O)NN=C1C1=CC=C(NC2=C(CC3=CC(I)=CC=C3)C(=O)CCC2)C=C1 46508247 DB01643 Thymidine monophosphate BE0001221 DTYMK P23919 KTHY_HUMAN product of 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrimidine 2'-deoxyribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides" "Pyrimidine Nucleotides; Deoxyribonucleotides; Pyrimidines; Thymine Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O UMP Synthase Deficiency (Orotic Aciduria); MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Dihydropyrimidinase Deficiency; beta-Ureidopropionase Deficiency; Pyrimidine Metabolism disease; metabolic 46504719 Thymidine_monophosphate CHEMBL394429 DB01644 "3,6-dihydroxy-xanthene-9-propionic acid" BE0000648 GSR P00390 GSHR_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Xanthenes Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans OC(=O)CCC1C2=CC=C(O)C=C2OC2=C1C=CC(O)=C2 46507003 DB01645 Genistein BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Isoflavones Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O 46509060 PA165109660 DCL000330 Genistein CHEMBL44 25696 DB01645 Genistein BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Isoflavones Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O 46509060 PA165109660 DCL000330 Genistein CHEMBL44 25696 DB01645 Genistein BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Isoflavones Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O 46509060 PA165109660 DCL000330 Genistein CHEMBL44 25696 DB01645 Genistein BE0005001 ESRRB O95718 ERR2_HUMAN agonist 14638870 "Suetsugi M, Su L, Karlsberg K, Yuan YC, Chen S: Flavone and isoflavone phytoestrogens are agonists of estrogen-related receptors. Mol Cancer Res. 2003 Nov;1(13):981-91." Investigational Isoflavones Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O 46509060 PA165109660 DCL000330 Genistein CHEMBL44 25696 DB01645 Genistein BE0003722 ESRRA P11474 ERR1_HUMAN agonist 14638870; 15955695 "Suetsugi M, Su L, Karlsberg K, Yuan YC, Chen S: Flavone and isoflavone phytoestrogens are agonists of estrogen-related receptors. Mol Cancer Res. 2003 Nov;1(13):981-91.@@Chen S, Ye J, Kijima I, Kinoshita Y, Zhou D: Positive and negative transcriptional regulation of aromatase expression in human breast cancer tissue. J Steroid Biochem Mol Biol. 2005 May;95(1-5):17-23." Investigational Isoflavones Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O 46509060 PA165109660 DCL000330 Genistein CHEMBL44 25696 DB01645 Genistein BE0000428 AKT1 P31749 AKT1_HUMAN 16789737 "Barve V, Ahmed F, Adsule S, Banerjee S, Kulkarni S, Katiyar P, Anson CE, Powell AK, Padhye S, Sarkar FH: Synthesis, molecular characterization, and biological activity of novel synthetic derivatives of chromen-4-one in human cancer cells. J Med Chem. 2006 Jun 29;49(13):3800-8." Investigational Isoflavones Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O 46509060 PA165109660 DCL000330 Genistein CHEMBL44 25696 DB01645 Genistein BE0003446 GPER1 Q99527 GPER1_HUMAN 17088055 "Thomas P, Dong J: Binding and activation of the seven-transmembrane estrogen receptor GPR30 by environmental estrogens: a potential novel mechanism of endocrine disruption. J Steroid Biochem Mol Biol. 2006 Dec;102(1-5):175-9. Epub 2006 Nov 7." Investigational Isoflavones Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O 46509060 PA165109660 DCL000330 Genistein CHEMBL44 25696 DB01645 Genistein BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Investigational Isoflavones Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O 46509060 PA165109660 DCL000330 Genistein CHEMBL44 25696 DB01645 Genistein BE0000792 ESR2 Q92731 ESR2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Isoflavones Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O 46509060 PA165109660 DCL000330 Genistein CHEMBL44 25696 DB01645 Genistein BE0000742 TOP2A P11388 TOP2A_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational Isoflavones Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O 46509060 PA165109660 DCL000330 Genistein CHEMBL44 25696 DB01645 Genistein BE0000871 PTK2B Q14289 FAK2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational Isoflavones Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O 46509060 PA165109660 DCL000330 Genistein CHEMBL44 25696 DB01645 Genistein BE0001195 CFTR P13569 CFTR_HUMAN activator 14719993 Roomans GM: Pharmacological approaches to correcting the ion transport defect in cystic fibrosis. Am J Respir Med. 2003;2(5):413-31. doi: 10.1007/BF03256668. Investigational Isoflavones Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O 46509060 PA165109660 DCL000330 Genistein CHEMBL44 25696 DB01647 Daxalipram BE0000487 PDE4B Q07343 PDE4B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles CCCOC1=CC(=CC=C1OC)[C@]1(C)CNC(=O)O1 46506137 CHEMBL603830 DB01649 7-methyl-GpppA BE0001215 DCPS Q96C86 DCPS_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" CN1C=[N+]([C@@H]2O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C(N)N=CN=C34)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2 46507224 DB01649 7-methyl-GpppA BE0000957 EIF4E P06730 IF4E_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" CN1C=[N+]([C@@H]2O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C(N)N=CN=C34)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2 46507224 DB01656 Roflumilast BE0009963 PDE4A Q08499 PDE4D_HUMAN inhibitor 20689641 "Giembycz MA, Field SK: Roflumilast: first phosphodiesterase 4 inhibitor approved for treatment of COPD. Drug Des Devel Ther. 2010 Jul 21;4:147-58. doi: 10.2147/dddt.s7667." Approved Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Phosphodiesterase 4 Inhibitors; Cycloparaffins; Amines; Cytochrome P-450 Substrates; Benzoates; Acids, Carbocyclic; Agents to Treat Airway Disease; Pyridines; Cytochrome P-450 CYP3A Substrates; Amides; Drugs for Obstructive Airway Diseases; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Drugs that are Mainly Renally Excreted; Phosphodiesterase Inhibitors" FC(F)OC1=C(OCC2CC2)C=C(C=C1)C(=O)NC1=C(Cl)C=NC=C1Cl 20639 175426853 D05744 PA165948052 Roflumilast CHEMBL193240 1091836 DB01664 (S)-DES-ME-AMPA BE0000829 GRIA2 P42262 GRIA2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CC1=CONC1=O)C(O)=O 46508987 DB01667 8-azaguanine BE0000250 PNP P00491 PNPH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Triazolopyrimidines Organic compounds; Organoheterocyclic compounds; Triazolopyrimidines "Aza Compounds; Heterocyclic Compounds, Fused-Ring; Purines; Cytochrome P-450 Substrates; Antimetabolites; Purinones; Toxic Actions; Noxae; Cytochrome P-450 CYP1A2 Substrates; Xanthine derivatives; Antineoplastic Agents" NC1=NC2=C(N=NN2)C(=O)N1 46505914 8-Azaguanine CHEMBL374107 DB01671 p-Hydroxymercuribenzoic acid BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental 4-Mercuribenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Protease Inhibitors; Organometallic Compounds; Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Hydroxy Acids; Phenols; Hydroxybenzoates; Organomercury Compounds; Benzene Derivatives; Mercuribenzoates; Phenylmercury Compounds" O[Hg]C1=CC=C(C=C1)C(O)=O 46506059 DB01677 Fumaric acid BE0000148 ME2 P23368 MAOM_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Antipsoriatics for Topical Use; Dicarboxylic Acids; Acids, Acyclic; Dermatologicals; Antipsoriatics" OC(=O)\C=C\C(O)=O 46508303 D02308 Fumaric_acid CHEMBL503160 25389 DB01677 Fumaric acid BE0004531 FAH P16930 FAAA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Antipsoriatics for Topical Use; Dicarboxylic Acids; Acids, Acyclic; Dermatologicals; Antipsoriatics" OC(=O)\C=C\C(O)=O 46508303 D02308 Fumaric_acid CHEMBL503160 25389 DB01678 RU84687 BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CC(=O)N[C@@H](CC1=CC=C(OP(O)(O)=O)C(C=O)=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O 46507550 CHEMBL78455 DB01684 1-Hydroxy-1-Thio-Glycerol BE0002148 PREP P48147 PPCE_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,2-diols" Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols OC[C@@H](O)CSO 46507555 DB01685 Topiroxostat BE0002204 XDH P47989 XDH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Pyridyl-1,2,4-triazoles" Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridyltriazoles Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (moderate); OAT3/SLC22A8 Inhibitors; BCRP/ABCG2 Inhibitors; UGT1A9 Substrates; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors N#CC1=NC=CC(=C1)C1=NNC(=N1)C1=CC=NC=C1 46508374 Topiroxostat CHEMBL1078685 DB01686 "N,N-dimethylarginine" BE0000005 NOS2 P35228 NOS2_HUMAN 17937610 "van Guldener C, Nanayakkara PW, Stehouwer CD: Homocysteine and asymmetric dimethylarginine (ADMA): biochemically linked but differently related to vascular disease in chronic kidney disease. Clin Chem Lab Med. 2007;45(12):1683-7." Experimental Arginine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Basic; Enzyme Inhibitors; Amino Acids, Peptides, and Proteins; Nitric Oxide Synthase, antagonists & inhibitors; Amino Acids, Diamino" N[C@@H](CCC\N=C(/N)N(C)C)C(O)=O 46508091 Asymmetric_dimethylarginine CHEMBL457530 DB01692 Dithioerythritol BE0001260 TK1 P04183 KITH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental "1,2-diols" Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Indicators and Reagents; Sugar Alcohols; Thioglycosides; Sulfhydryl Reagents; Carbohydrates; Alcohols; Sulfur Compounds; Laboratory Chemicals; Compounds used in a research, industrial, or household setting" [H][C@](O)(CS)[C@]([H])(O)CS 46509091 Dithioerythritol CHEMBL1232391 DB01694 D-tartaric acid BE0001242 B3GAT1 Q9P2W7 B3GA1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental O[C@@H]([C@H](O)C(O)=O)C(O)=O 46508249 Tartaric_acid CHEMBL1200861 1371315 DB01694 D-tartaric acid BE0002501 DDX6 P26196 DDX6_HUMAN Experimental O[C@@H]([C@H](O)C(O)=O)C(O)=O 46508249 Tartaric_acid CHEMBL1200861 1371315 DB01694 D-tartaric acid BE0004525 ATP6V1C1 P21283 VATC1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental O[C@@H]([C@H](O)C(O)=O)C(O)=O 46508249 Tartaric_acid CHEMBL1200861 1371315 DB01695 N-Hydroxy-4-phosphonobutanamide BE0003844 TPI1 P60174 TPIS_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental ONC(=O)CCCP(O)(O)=O 46504877 CHEMBL1161784 DB01698 Rutin BE0000592 AKR1C3 P42330 AK1C3_HUMAN 19007764; 18949601 "Skarydova L, Zivna L, Xiong G, Maser E, Wsol V: AKR1C3 as a potential target for the inhibitory effect of dietary flavonoids. Chem Biol Interact. 2009 Mar 16;178(1-3):138-44. doi: 10.1016/j.cbi.2008.10.015. Epub 2008 Oct 19.@@Barski OA, Tipparaju SM, Bhatnagar A: The aldo-keto reductase superfamily and its role in drug metabolism and detoxification. Drug Metab Rev. 2008;40(4):553-624. doi: 10.1080/03602530802431439." Approved; Experimental; Investigational Flavonoid-3-O-glycosides Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides "Cytochrome P-450 Enzyme Inducers; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Flavonols; Capillary Stabilizing Agents; Cytochrome P-450 Enzyme Inhibitors; Vasoprotectives; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Pyrans; Cytochrome P-450 CYP3A4 Inhibitors; Flavonoids" C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 9040 46508549 PA451291 Rutin CHEMBL226335 9500 DB01700 AICA ribonucleotide BE0001240 ATIC P31939 PUR9_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational 1-ribosyl-imidazolecarboxamides "Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides" "Imidazoles; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Blood Glucose Lowering Agents" NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Gout or Kelley-Seegmiller Syndrome; Purine Metabolism; Lesch-Nyhan Syndrome (LNS); Myoadenylate Deaminase Deficiency; Molybdenum Cofactor Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Thioguanine Action Pathway; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Purine Nucleoside Phosphorylase Deficiency; Adenylosuccinate Lyase Deficiency; Xanthinuria Type II disease; metabolic; drug_action 46508570 AICA_ribonucleotide CHEMBL483849 DB01708 Prasterone BE0000123 ESR1 P03372 ESR1_HUMAN binder 15994348 "Chen F, Knecht K, Birzin E, Fisher J, Wilkinson H, Mojena M, Moreno CT, Schmidt A, Harada S, Freedman LP, Reszka AA: Direct agonist/antagonist functions of dehydroepiandrosterone. Endocrinology. 2005 Nov;146(11):4568-76. Epub 2005 Jun 30." Approved; Investigational; Nutraceutical Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Androstenols; Ketosteroids; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Adjuvants, Immunologic; Cytochrome P-450 Substrates; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Androgens and Estrogens; Anabolic Agents for Systemic Use; Adrenal Cortex Hormones; Gonadal Hormones; OATP2B1/SLCO2B1 substrates; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Cytochrome P-450 CYP3A7 Inhibitors; Gonadal Steroid Hormones; OATP1B3 substrates; Androstan Derivatives; 17-Ketosteroids; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C 23385 46508824 D08409 PA451993 DNC001146 Dehydroepiandrosterone CHEMBL90593 3143 DB01708 Prasterone BE0000792 ESR2 Q92731 ESR2_HUMAN activator 15994348 "Chen F, Knecht K, Birzin E, Fisher J, Wilkinson H, Mojena M, Moreno CT, Schmidt A, Harada S, Freedman LP, Reszka AA: Direct agonist/antagonist functions of dehydroepiandrosterone. Endocrinology. 2005 Nov;146(11):4568-76. Epub 2005 Jun 30." Approved; Investigational; Nutraceutical Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Androstenols; Ketosteroids; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Adjuvants, Immunologic; Cytochrome P-450 Substrates; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Androgens and Estrogens; Anabolic Agents for Systemic Use; Adrenal Cortex Hormones; Gonadal Hormones; OATP2B1/SLCO2B1 substrates; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Cytochrome P-450 CYP3A7 Inhibitors; Gonadal Steroid Hormones; OATP1B3 substrates; Androstan Derivatives; 17-Ketosteroids; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C 23385 46508824 D08409 PA451993 DNC001146 Dehydroepiandrosterone CHEMBL90593 3143 DB01708 Prasterone BE0000132 AR P10275 ANDR_HUMAN agonist 15994348 "Chen F, Knecht K, Birzin E, Fisher J, Wilkinson H, Mojena M, Moreno CT, Schmidt A, Harada S, Freedman LP, Reszka AA: Direct agonist/antagonist functions of dehydroepiandrosterone. Endocrinology. 2005 Nov;146(11):4568-76. Epub 2005 Jun 30." Approved; Investigational; Nutraceutical Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Androstenols; Ketosteroids; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Adjuvants, Immunologic; Cytochrome P-450 Substrates; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Androgens and Estrogens; Anabolic Agents for Systemic Use; Adrenal Cortex Hormones; Gonadal Hormones; OATP2B1/SLCO2B1 substrates; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Cytochrome P-450 CYP3A7 Inhibitors; Gonadal Steroid Hormones; OATP1B3 substrates; Androstan Derivatives; 17-Ketosteroids; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C 23385 46508824 D08409 PA451993 DNC001146 Dehydroepiandrosterone CHEMBL90593 3143 DB01708 Prasterone BE0000071 PPARA Q07869 PPARA_HUMAN activator 17591676; 18079279 "Kohalmy K, Tamasi V, Kobori L, Sarvary E, Pascussi JM, Porrogi P, Rozman D, Prough RA, Meyer UA, Monostory K: Dehydroepiandrosterone induces human CYP2B6 through the constitutive androstane receptor. Drug Metab Dispos. 2007 Sep;35(9):1495-501. Epub 2007 Jun 25.@@Tamasi V, Miller KK, Ripp SL, Vila E, Geoghagen TE, Prough RA: Modulation of receptor phosphorylation contributes to activation of peroxisome proliferator activated receptor alpha by dehydroepiandrosterone and other peroxisome proliferators. Mol Pharmacol. 2008 Mar;73(3):968-76. Epub 2007 Dec 13." Approved; Investigational; Nutraceutical Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Androstenols; Ketosteroids; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Adjuvants, Immunologic; Cytochrome P-450 Substrates; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Androgens and Estrogens; Anabolic Agents for Systemic Use; Adrenal Cortex Hormones; Gonadal Hormones; OATP2B1/SLCO2B1 substrates; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Cytochrome P-450 CYP3A7 Inhibitors; Gonadal Steroid Hormones; OATP1B3 substrates; Androstan Derivatives; 17-Ketosteroids; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C 23385 46508824 D08409 PA451993 DNC001146 Dehydroepiandrosterone CHEMBL90593 3143 DB01709 2-phospho-D-glyceric acid BE0004460 ENO3 P13929 ENOB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sugar acids and derivatives Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates OC[C@@H](OP(O)(O)=O)C(O)=O "Fructose-1,6-diphosphatase Deficiency; Glycogenosis, Type VII. Tarui Disease; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Glycogenosis, Type IC; Glycogenosis, Type IB; Fanconi-Bickel Syndrome; Glycolysis; Triosephosphate Isomerase; Glycogenosis, Type IA. Von Gierke Disease; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Gluconeogenesis; Warburg Effect" disease; metabolic 46506872 DB01710 Porphyrin Fe(III) BE0004467 MB P02144 MYG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [Fe+5].[H]C1=C([H])/C2=C([H])/C3=N/C(/C([H])=C3[H])=C([H])\C3=C([H])C([H])=C([N-]3)/C([H])=C3\N=C(C([H])=C3[H])\C(\[H])=C\1/[N-]\2 46508850 DB01711 "2,3,4,5,6-Pentafluorobenzyl Alcohol" BE0000465 ADH1C P00326 ADH1G_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzyl alcohols Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzyl alcohols "Hydrocarbons, Halogenated; Alcohols; Benzyl Compounds; Benzene Derivatives; Hydrocarbons, Fluorinated" OCC1=C(F)C(F)=C(F)C(F)=C1F 46505388 DB01712 "(3R)-4-(p-toluenesulfonyl)-1,4-thiazane-3-carboxylicacid-L-phenylalanine ethyl ester" BE0000695 FKBP1A P62942 FKB1A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CSCCN1S(=O)(=O)C1=CC=C(C)C=C1 46507878 DB01717 Bis(Adenosine)-5'-Pentaphosphate BE0004477 AK2 P54819 KAD2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" [H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O 46505205 CHEMBL437508 DB01717 Bis(Adenosine)-5'-Pentaphosphate BE0004536 AK8 Q96MA6 KAD8_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" [H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O 46505205 CHEMBL437508 DB01723 "{3-[3-(3,4-Dimethoxy-Phenyl)-1-(1-{1-[2-(3,4,5-Trimethoxy-Phenyl)-Butyryl]-Piperidin-2yl}-Vinyloxy)-Propyl]-Phenoxy}-Acetic Acid" BE0000695 FKBP1A P62942 FKB1A_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Linear 1,3-diarylpropanoids" "Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids" [H][C@](CCC1=CC(OC)=C(OC)C=C1)(OC(=O)[C@]1([H])CCCCN1C(=O)[C@@]([H])(CC)C1=CC(OC)=C(OC)C(OC)=C1)C1=CC(OCC(O)=O)=CC=C1 46506401 CHEMBL110674 DB01727 Isocitric Acid BE0004504 ACO2 Q99798 ACON_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Acids, Acyclic; Citrates; Tricarboxylic Acids" O[C@@H]([C@H](CC(O)=O)C(O)=O)C(O)=O 46506619 DB01727 Isocitric Acid BE0001251 IDH1 O75874 IDHC_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Acids, Acyclic; Citrates; Tricarboxylic Acids" O[C@@H]([C@H](CC(O)=O)C(O)=O)C(O)=O 46506619 DB01733 L-Phospholactate BE0000088 PKM P14618 KPYM_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Monoalkyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters C[C@@H](OP(O)(O)=O)C(O)=O 46508341 CHEMBL1941138 DB01734 3-(Oxalyl-Amino)-Naphthalene-2-Carboxylic Acid BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenecarboxylic acids Organic compounds; Benzenoids; Naphthalenes; Naphthalenecarboxylic acids and derivatives OC(=O)C(=O)NC1=CC2=C(C=CC=C2)C=C1C(O)=O 46505510 CHEMBL383570 DB01738 Phosphorylcolamine BE0000872 PRKCB P05771 KPCB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phosphoethanolamines Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters Amines; Alcohols; Amino Alcohols NCCOP(O)(O)=O 46507966 CHEMBL146972 DB01742 (3r)-1-Acetyl-3-Methylpiperidine BE0001014 PPIA P62937 PPIA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; N-acylpiperidines C[C@@H]1CCCN(C1)C(C)=O 46506076 DB01744 Camphor BE0001122 TRPA1 O75762 TRPA1_HUMAN inhibitor 16192383 "Xu H, Blair NT, Clapham DE: Camphor activates and strongly desensitizes the transient receptor potential vanilloid subtype 1 channel in a vanilloid-independent mechanism. J Neurosci. 2005 Sep 28;25(39):8924-37. doi: 10.1523/JNEUROSCI.2574-05.2005." Approved; Withdrawn Bicyclic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids "Plant Preparations; Biological Products; Norbornanes; Anti-Infective Agents; Bornanes; Plant Extracts; Ketones; Pharmaceutical Preparations; Basic Lotions and Liniments; Bicyclic Monoterpenes; Cardiac Therapy; Complex Mixtures; Antipruritics and Local Anesthetics; Bridged-Ring Compounds; Anti-Infective Agents, Local; Monoterpenes; Terpenes" [H][C@@]12CC[C@@](C)(C(=O)C1)C2(C)C 9125 46508429 D06392 PA448759 Camphor CHEMBL504760 1298738 DB01744 Camphor BE0001186 TRPM8 Q7Z2W7 TRPM8_HUMAN activator 23828908 "Selescu T, Ciobanu AC, Dobre C, Reid G, Babes A: Camphor activates and sensitizes transient receptor potential melastatin 8 (TRPM8) to cooling and icilin. Chem Senses. 2013 Sep;38(7):563-75. doi: 10.1093/chemse/bjt027. Epub 2013 Jul 4." Approved; Withdrawn Bicyclic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids "Plant Preparations; Biological Products; Norbornanes; Anti-Infective Agents; Bornanes; Plant Extracts; Ketones; Pharmaceutical Preparations; Basic Lotions and Liniments; Bicyclic Monoterpenes; Cardiac Therapy; Complex Mixtures; Antipruritics and Local Anesthetics; Bridged-Ring Compounds; Anti-Infective Agents, Local; Monoterpenes; Terpenes" [H][C@@]12CC[C@@](C)(C(=O)C1)C2(C)C 9125 46508429 D06392 PA448759 Camphor CHEMBL504760 1298738 DB01748 N-Benzyl-4-Sulfamoyl-Benzamide BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-benzylbenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=CC=C1 46507820 CHEMBL302715 DB01752 S-adenosyl-L-homocysteine BE0001144 PCMT1 P22061 PIMT_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 5'-deoxy-5'-thionucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides" "Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Amino Acids, Peptides, and Proteins" N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O 46508993 S-Adenosyl-L-homocysteine CHEMBL418052 DB01752 S-adenosyl-L-homocysteine BE0004446 PRMT3 O60678 ANM3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 5'-deoxy-5'-thionucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides" "Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Amino Acids, Peptides, and Proteins" N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O 46508993 S-Adenosyl-L-homocysteine CHEMBL418052 DB01752 S-adenosyl-L-homocysteine BE0002517 TRDMT1 O14717 TRDMT_HUMAN Experimental 5'-deoxy-5'-thionucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides" "Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Amino Acids, Peptides, and Proteins" N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O 46508993 S-Adenosyl-L-homocysteine CHEMBL418052 DB01752 S-adenosyl-L-homocysteine BE0000372 GNMT Q14749 GNMT_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 5'-deoxy-5'-thionucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides" "Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Amino Acids, Peptides, and Proteins" N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O 46508993 S-Adenosyl-L-homocysteine CHEMBL418052 DB01752 S-adenosyl-L-homocysteine BE0002524 SETD7 Q8WTS6 SETD7_HUMAN Experimental 5'-deoxy-5'-thionucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides" "Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Amino Acids, Peptides, and Proteins" N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O 46508993 S-Adenosyl-L-homocysteine CHEMBL418052 DB01752 S-adenosyl-L-homocysteine BE0004441 DPH5 Q9H2P9 DPH5_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 5'-deoxy-5'-thionucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides" "Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Amino Acids, Peptides, and Proteins" N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O 46508993 S-Adenosyl-L-homocysteine CHEMBL418052 DB01761 4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine BE0001019 MAPK14 Q16539 MK14_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles C[C@H](NC1=NC(=CC=N1)C1=C(N=C(C2CCNCC2)N1C)C1=CC=CC(=C1)C(F)(F)F)C1=CC=CC=C1 46506130 CHEMBL305178 DB01762 Acetoacetic acid BE0004531 FAH P16930 FAAA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Short-chain keto acids and derivatives Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives Keto Acids; Ketone Bodies; Ketones CC(=O)CC(O)=O "3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; Isovaleric Aciduria; beta-Ketothiolase Deficiency; Tyrosinemia Type 2 (or Richner-Hanhart Syndrome); Fatty Acid Biosynthesis; Alkaptonuria; Isobutyryl-CoA Dehydrogenase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Propionic Acidemia; Tyrosinemia Type I; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Phenylketonuria; Tyrosinemia Type 3 (TYRO3); Hawkinsinuria; Phenylalanine and Tyrosine Metabolism; Dopamine beta-Hydroxylase Deficiency; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Ketone Body Metabolism; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Methylmalonate Semialdehyde Dehydrogenase Deficiency; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Isovaleric Acidemia" disease; metabolic; drug_action 46505003 Acetoacetic_acid CHEMBL1230762 DB01763 7-thionicotinamide-adenine-dinucleotide phosphate BE0000008 NNT Q13423 NNTM_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" [H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(=C3)C([S-])=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O 46506464 CHEMBL1236188 DB01765 "(5-hydroxyindolo[1,2-a]quinazolin-7-yl)acetic acid" BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indoloquinazolines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines OC(=O)CC1=C2NC(=O)C3=CC=CC=C3N2C2=C1C=CC=C2 46507899 CHEMBL92361 DB01766 Beta-(2-Naphthyl)-Alanine BE0000230 YARS P54577 SYYC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenes Organic compounds; Benzenoids; Naphthalenes [H][C@](N)(CC1=CC=C2C=CC=CC2=C1)C(O)=O 46506480 CHEMBL1234619 DB01772 "3-[3-(2,3-Dihydroxy-Propylamino)-Phenyl]-4-(5-Fluoro-1-Methyl-1h-Indol-3-Yl)-Pyrrole-2,5-Dione" BE0001065 GSK3B P49841 GSK3B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles [H][C@@](O)(CO)CNC1=CC=CC(=C1)C1=C(C(=O)NC1=O)C1=CN(C)C2=CC=C(F)C=C12 46504930 DB01780 Fusicoccin BE0004570 YWHAE P62258 1433E_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diterpene glycosides Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides Mycotoxins; Carbohydrates [H]\C1=C2/[C@@]([H])(COC)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)[C@]([H])(O[C@@]2([H])O[C@]([H])(COC(C)(C)C=C)[C@@]([H])(O)[C@]([H])(OC(C)=O)[C@@]2([H])O)C2=C(C[C@]([H])(O)[C@]12C)[C@]([H])(C)COC(C)=O 46508360 Fusicoccin CHEMBL4244843 DB01782 Pyrazolanthrone BE0003790 MAPK8 P45983 MK08_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Anthracenes Organic compounds; Benzenoids; Anthracenes O=C1C2=CC=CC3=C2C(=NN3)C2=C1C=CC=C2 46507936 "1,9-Pyrazoloanthrone" CHEMBL7064 DB01782 Pyrazolanthrone BE0003791 TTK P33981 TTK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Anthracenes Organic compounds; Benzenoids; Anthracenes O=C1C2=CC=CC3=C2C(=NN3)C2=C1C=CC=C2 46507936 "1,9-Pyrazoloanthrone" CHEMBL7064 DB01782 Pyrazolanthrone BE0001097 MAPK10 P53779 MK10_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Anthracenes Organic compounds; Benzenoids; Anthracenes O=C1C2=CC=CC3=C2C(=NN3)C2=C1C=CC=C2 46507936 "1,9-Pyrazoloanthrone" CHEMBL7064 DB01784 4-Flourobenzenesulfonamide BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=CC=C(F)C=C1 46507854 CHEMBL1232673 DB01785 Dimethylallyl Diphosphate BE0000776 FDPS P14324 FPPS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoprenoid phosphates Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Isoprenoid phosphates Terpenes CC(C)=CCO[P@](O)(=O)OP(O)(O)=O "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Hyper-IgD Syndrome; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Risedronate Action Pathway; Mevalonic Aciduria; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; CHILD Syndrome; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Wolman Disease; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 46507688 CHEMBL343480 DB01785 Dimethylallyl Diphosphate BE0004044 IDI1 Q13907 IDI1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoprenoid phosphates Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Isoprenoid phosphates Terpenes CC(C)=CCO[P@](O)(=O)OP(O)(O)=O "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Hyper-IgD Syndrome; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Risedronate Action Pathway; Mevalonic Aciduria; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; CHILD Syndrome; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Wolman Disease; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 46507688 CHEMBL343480 DB01790 (Rp)-cAMPS BE0003425 PRKAR1A P10644 KAP0_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "3',5'-cyclic purine nucleoside phosphorothioates" "Organic compounds; Nucleosides, nucleotides, and analogues; Nucleoside and nucleotide analogues; 3',5'-cyclic purine nucleoside phosphorothioates" "Nucleotides, Cyclic; Stereoisomerism; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Enzyme Inhibitors; Purine Nucleotides; Ribonucleotides; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Protein Kinase Inhibitors" NC1=C2N=CN([C@@H]3O[C@@H]4CO[P@](S)(=O)O[C@H]4[C@H]3O)C2=NC=N1 46504971 DB01791 Piclamilast BE0001133 PDE4A P27815 PDE4A_HUMAN 15765929 "Beeh KM, Beier J, Lerch C, Schulz AK, Buhl R: Effects of piclamilast, a selective phosphodiesterase-4 inhibitor, on oxidative burst of sputum cells from mild asthmatics and stable COPD patients. Lung. 2004;182(6):369-77." Experimental Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Phosphodiesterase 4 Inhibitors; Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Amides; Benzene Derivatives; Phosphodiesterase Inhibitors" COC1=CC=C(C=C1OC1CCCC1)C(=O)NC1=C(Cl)C=NC=C1Cl 46508612 D05474 Piclamilast CHEMBL42126 DB01791 Piclamilast BE0000487 PDE4B Q07343 PDE4B_HUMAN 15765929; 10592235 "Beeh KM, Beier J, Lerch C, Schulz AK, Buhl R: Effects of piclamilast, a selective phosphodiesterase-4 inhibitor, on oxidative burst of sputum cells from mild asthmatics and stable COPD patients. Lung. 2004;182(6):369-77.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Phosphodiesterase 4 Inhibitors; Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Amides; Benzene Derivatives; Phosphodiesterase Inhibitors" COC1=CC=C(C=C1OC1CCCC1)C(=O)NC1=C(Cl)C=NC=C1Cl 46508612 D05474 Piclamilast CHEMBL42126 DB01791 Piclamilast BE0001287 PDE4D Q08499 PDE4D_HUMAN 15765929; 10592235 "Beeh KM, Beier J, Lerch C, Schulz AK, Buhl R: Effects of piclamilast, a selective phosphodiesterase-4 inhibitor, on oxidative burst of sputum cells from mild asthmatics and stable COPD patients. Lung. 2004;182(6):369-77.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Phosphodiesterase 4 Inhibitors; Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Amides; Benzene Derivatives; Phosphodiesterase Inhibitors" COC1=CC=C(C=C1OC1CCCC1)C(=O)NC1=C(Cl)C=NC=C1Cl 46508612 D05474 Piclamilast CHEMBL42126 DB01793 SB-409513 BE0001065 GSK3B P49841 GSK3B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminobenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives OC(=O)C1=CC(NC2=C(C(=O)NC2=O)C2=CC(Cl)=CC=C2)=CC=C1Cl 46504516 CHEMBL156987 DB01800 4-Nitrocatechol sulfate BE0003195 ARSA P15289 ARSA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylsulfates Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Arylsulfates Phenols; Benzene Derivatives OC1=CC=C(C=C1OS(O)(=O)=O)[N+]([O-])=O 46505967 DB01807 "N-[(3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene]-N'-(4-chlorophenyl)urea" BE0001019 MAPK14 Q16539 MK14_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental CC(C)(C)C1=NN(C(NC(=O)NC2=CC=C(Cl)C=C2)=C1)C1=CC=CC=C1 46508963 CHEMBL85860 DB01809 "1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine" BE0002411 RET P07949 RET_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CC1=CC=C(C=C1)C1=NN(C2=C1C(N)=NC=N2)C(C)(C)C 46508473 CHEMBL306380 DB01812 "Adenosine 3',5'-diphosphate" BE0001264 SULT2B1 O00204 ST2B1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental "Purine ribonucleoside 3',5'-bisphosphates" "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Isomerism; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O 46507388 CHEMBL574817 DB01812 "Adenosine 3',5'-diphosphate" BE0001541 HS3ST3A1 Q9Y663 HS3SA_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental "Purine ribonucleoside 3',5'-bisphosphates" "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Isomerism; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O 46507388 CHEMBL574817 DB01812 "Adenosine 3',5'-diphosphate" BE0002561 SULT1B1 O43704 ST1B1_HUMAN Experimental "Purine ribonucleoside 3',5'-bisphosphates" "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Isomerism; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O 46507388 CHEMBL574817 DB01819 Phosphoenolpyruvate BE0004460 ENO3 P13929 ENOB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phosphate esters Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters Hydroxy Acids OC(=O)C(=C)OP(O)(O)=O "Leigh Syndrome; Glycogenosis, Type IB; Pyruvate Kinase Deficiency; Pyruvate Dehydrogenase Complex Deficiency; Tay-Sachs Disease; Amino Sugar Metabolism; Warburg Effect; Fructose-1,6-diphosphatase Deficiency; Glycogenosis, Type IC; Glycolysis; Glycogenosis, Type IA. Von Gierke Disease; Salla Disease/Infantile Sialic Acid Storage Disease; Gluconeogenesis; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Pyruvate Metabolism; Primary Hyperoxaluria II, PH2; Glycogenosis, Type VII. Tarui Disease; Sialuria or French Type Sialuria; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Fanconi-Bickel Syndrome; Triosephosphate Isomerase; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1)" disease; metabolic 46506098 Phosphoenolpyruvate CHEMBL1235228 DB01820 2-{[4-(2-Acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-YL]-oxalyl-amino}-benzoic acid BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Acylaminobenzoic acid and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives [H]N(CCCCC)C(=O)[C@H](CC1=CC=C(N(C(=O)C(O)=O)C2=CC=CC=C2C(O)=O)C2=CC=CC=C12)N([H])C(C)=O 46507184 CHEMBL1230658 DB01821 "L-N(omega)-Nitroarginine-2,4-L-diaminobutyric amide" BE0000067 NOS1 P29475 NOS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" NCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O 46509184 CHEMBL44833 DB01826 N-Butyl Isocyanide BE0004467 MB P02144 MYG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Organic isocyanides Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Organic isocyanides CCCC[N+]#[C-] 46509064 DB01827 "2,3,5,6-Tetrafluoro-4-Methoxy-Benzamide" BE0001353 LGALS3 P17931 LEG3_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-halobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives COC1=C(F)C(F)=C(C(N)=O)C(F)=C1F 46504979 DB01830 AP-22408 BE0000842 LCK P06239 LCK_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CC(=O)N[C@@H](CC1=CC=C(C(=C1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]1CCCCC2=CC(OCC3CCCCC3)=C(C=C12)C(N)=O 46506466 DB01831 Tryptophanyl-5'amp BE0000228 WARS P23381 SYWC_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental 5'-acylphosphoadenosines "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12 46505679 DB01832 4-[Hydroxy-[Methyl-Phosphinoyl]]-3-Oxo-Butanoic Acid BE0004531 FAH P16930 FAAA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Short-chain keto acids and derivatives Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives C[P@@](O)(=O)CC(=O)CC(O)=O 46507856 DB01835 4R-Fluoro-N6-ethanimidoyl-L-lysine BE0000005 NOS2 P35228 NOS2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H]N([H])[C@@H](C[C@@H](F)CC\N=C(/C)N([H])[H])C(O)=O 46508853 DB01844 "N,N-dimethylformamide" BE0000270 REN P00797 RENI_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tertiary carboxylic acid amides Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives "Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 Substrates; Formates; Acids, Acyclic; Amides; Formamides" CN(C)C=O 46506036 Dimethylformamide CHEMBL268291 DB01854 5-Bromonicotinamide BE0000931 ART1 P52961 NAR1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Nicotinamides Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives NC(=O)C1=CN=CC(Br)=C1 46508285 DB01860 Cordycepin Triphosphate BE0004515 PAPOLA P51003 PAPOA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine 3'-deoxyribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides" "Deoxyribonucleotides; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" [H][C@@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@@]([H])(O)[C@@]([H])(O1)N1C=NC2=C(N)N=CN=C12 46506331 CHEMBL480329 DB01861 Uridine diphosphate glucose BE0004498 GYG1 P46976 GLYG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrimidine nucleotide sugars "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars" "Pyrimidine Nucleotides; Uridine Diphosphate Sugars; Nucleoside Diphosphate Sugars; Glycosides; Ribonucleotides; Carbohydrates; Pyrimidines; Uridine Diphosphate; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Uracil Nucleotides" OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O "Sucrase-Isomaltase Deficiency; Krabbe Disease; Lactose Synthesis; Fabry Disease; Galactosemia III; Mucopolysaccharidosis VI. Sly Syndrome; Sphingolipid Metabolism; Glycogenosis, Type III. Cori Disease, Debrancher Glycogenosis; Galactosemia II (GALK); Metachromatic Leukodystrophy (MLD); Glycogenosis, Type IV. Amylopectinosis, Anderson Disease; Gaucher Disease; Congenital Disorder of Glycosylation CDG-IId; Nucleotide Sugars Metabolism; Glycogen Synthetase Deficiency; Glycogenosis, Type VI. Hers Disease; Starch and Sucrose Metabolism; Galactosemia; Globoid Cell Leukodystrophy; GLUT-1 Deficiency Syndrome; Galactose Metabolism" disease; metabolic 46507150 Uridine_diphosphate_glucose CHEMBL375951 DB01863 "Inositol 1,3,4,5-Tetrakisphosphate" BE0001627 ITPKA P23677 IP3KA_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O 46508691 CHEMBL23552 DB01863 "Inositol 1,3,4,5-Tetrakisphosphate" BE0002654 CYTH2 Q99418 CYH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O 46508691 CHEMBL23552 DB01863 "Inositol 1,3,4,5-Tetrakisphosphate" BE0004433 CYTH3 O43739 CYH3_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O 46508691 CHEMBL23552 DB01863 "Inositol 1,3,4,5-Tetrakisphosphate" BE0001193 PDPK1 O15530 PDPK1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O 46508691 CHEMBL23552 DB01863 "Inositol 1,3,4,5-Tetrakisphosphate" BE0000428 AKT1 P31749 AKT1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O 46508691 CHEMBL23552 DB01863 "Inositol 1,3,4,5-Tetrakisphosphate" BE0001278 PLEKHA4 Q9H4M7 PKHA4_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O 46508691 CHEMBL23552 DB01863 "Inositol 1,3,4,5-Tetrakisphosphate" BE0001284 BTK Q06187 BTK_HUMAN inhibitor 17139284; 17016423; 34209188 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kaliamurthi S, Selvaraj G, Selvaraj C, Singh SK, Wei DQ, Peslherbe GH: Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19. Int J Mol Sci. 2021 Jun 30;22(13). pii: ijms22137071. doi: 10.3390/ijms22137071." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O 46508691 CHEMBL23552 DB01863 "Inositol 1,3,4,5-Tetrakisphosphate" BE0001300 DAPP1 Q9UN19 DAPP1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O 46508691 CHEMBL23552 DB01864 5'-Guanosine-Diphosphate-Monothiophosphate BE0004242 ARF6 P62330 ARF6_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Purine Nucleotides; Ribonucleotides; Guanine Nucleotides; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Thionucleotides; Nucleotides; Guanosine Triphosphate" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]2O)C(=O)N1 46507592 CHEMBL1204628 DB01864 5'-Guanosine-Diphosphate-Monothiophosphate BE0004558 RAB11A P62491 RB11A_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Purine Nucleotides; Ribonucleotides; Guanine Nucleotides; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Thionucleotides; Nucleotides; Guanosine Triphosphate" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]2O)C(=O)N1 46507592 CHEMBL1204628 DB01866 RU79256 BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives [H][C@](C(O)=O)(C1=CC=CC=C1)S(O)(=O)=O 46506555 DB01873 Epothilone D BE0000026 TUBB1 Q9H4B7 TBB1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational Epothilones and analogues Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents [H][C@]1(C\C=C(C)/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1)C(\C)=C\C1=CSC(C)=N1 46508361 Epothilone CHEMBL96172 DB01873 Epothilone D BE0001367 TUBB4B P68371 TBB4B_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational Epothilones and analogues Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents [H][C@]1(C\C=C(C)/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1)C(\C)=C\C1=CSC(C)=N1 46508361 Epothilone CHEMBL96172 DB01873 Epothilone D BE0001388 TUBA1C Q9BQE3 TBA1C_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational Epothilones and analogues Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents [H][C@]1(C\C=C(C)/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1)C(\C)=C\C1=CSC(C)=N1 46508361 Epothilone CHEMBL96172 DB01873 Epothilone D BE0001359 TUBA8 Q9NY65 TBA8_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational Epothilones and analogues Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents [H][C@]1(C\C=C(C)/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1)C(\C)=C\C1=CSC(C)=N1 46508361 Epothilone CHEMBL96172 DB01878 Benzophenone BE0000123 ESR1 P03372 ESR1_HUMAN 16079615 "Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52." Experimental Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones Ketones; Photosensitizing Agents; Dermatologicals; Radiation-Sensitizing Agents; Benzene Derivatives O=C(C1=CC=CC=C1)C1=CC=CC=C1 2107 46507784 Benzophenone CHEMBL90039 18997 DB01878 Benzophenone BE0000792 ESR2 Q92731 ESR2_HUMAN 16079615 "Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52." Experimental Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones Ketones; Photosensitizing Agents; Dermatologicals; Radiation-Sensitizing Agents; Benzene Derivatives O=C(C1=CC=CC=C1)C1=CC=CC=C1 2107 46507784 Benzophenone CHEMBL90039 18997 DB01888 "4-[5-(Trans-4-Aminocyclohexylamino)-3-Isopropylpyrazolo[1,5-a]Pyrimidin-7-Ylamino]-N,N-Dimethylbenzenesulfonamide" BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides CC(C)C1=C2N=C(N[C@H]3CC[C@H](N)CC3)C=C(NC3=CC=C(C=C3)S(=O)(=O)N(C)C)N2N=C1 46505465 CHEMBL361348 DB01890 "N,N-Bis(3-(D-gluconamido)propyl)deoxycholamide" BE0003418 IGF1 P05019 IGF1_HUMAN 10592235; 11551198 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Vajdos FF, Ultsch M, Schaffer ML, Deshayes KD, Liu J, Skelton NJ, de Vos AM: Crystal structure of human insulin-like growth factor-1: detergent binding inhibits binding protein interactions. Biochemistry. 2001 Sep 18;40(37):11022-9." Experimental "Dihydroxy bile acids, alcohols and derivatives" "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 46505499 DB01890 "N,N-Bis(3-(D-gluconamido)propyl)deoxycholamide" BE0000071 PPARA Q07869 PPARA_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental "Dihydroxy bile acids, alcohols and derivatives" "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 46505499 DB01893 N6-Benzyl Adenosine-5'-Diphosphate BE0000838 SRC P12931 SRC_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" [H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(NCC4=CC=CC=C4)N=CN=C23)[C@]([H])(O)[C@]1([H])O 46507276 CHEMBL1234640 DB01901 Sucrosofate BE0000748 FGFR2 P21802 FGFR2_HUMAN ligand 15047176 "Hung KW, Kumar TK, Chi YH, Chiu IM, Yu C: Molecular cloning, overexpression, and characterization of the ligand-binding D2 domain of fibroblast growth factor receptor. Biochem Biophys Res Commun. 2004 Apr 23;317(1):253-8." Experimental Disaccharide sulfates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Anti-Ulcer Agents; Oligosaccharides; Carbohydrates; Polysaccharides; Disaccharides; Gastrointestinal Agents OS(=O)(=O)OC[C@H]1O[C@@](COS(O)(=O)=O)(O[C@H]2O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O 46504489 CHEMBL1235872 DB01901 Sucrosofate BE0000689 FGF1 P05230 FGF1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Disaccharide sulfates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Anti-Ulcer Agents; Oligosaccharides; Carbohydrates; Polysaccharides; Disaccharides; Gastrointestinal Agents OS(=O)(=O)OC[C@H]1O[C@@](COS(O)(=O)=O)(O[C@H]2O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O 46504489 CHEMBL1235872 DB01902 "1-Ethyl-Pyrrolidine-2,5-Dione" BE0004508 NSF P46459 NSF_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-substituted carboxylic acid imides Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives Imides; Pyrrolidinones; Pyrrolidines CCN1C(=O)CCC1=O 46507776 DB01902 "1-Ethyl-Pyrrolidine-2,5-Dione" BE0004574 ERO1B Q86YB8 ERO1B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-substituted carboxylic acid imides Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives Imides; Pyrrolidinones; Pyrrolidines CCN1C(=O)CCC1=O 46507776 DB01908 RU85493 BE0000838 SRC P12931 SRC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CC(=O)N[C@@H](CC1=CC=C(OCC(O)=O)C(=C1)P(O)(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O 46507938 CHEMBL436462 DB01915 S-Hydroxycysteine BE0003455 C3 P01024 CO3_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-cysteine-S-conjugates "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CSO)C(O)=O 46507482 DB01917 Putrescine BE0000404 ODC1 P11926 DCOR_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Monoalkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines Amines; Biogenic Amines; Polyamines; Biogenic Polyamines; Diamines NCCCCN "Methionine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Methionine Adenosyltransferase Deficiency; Cystathionine beta-Synthase Deficiency; Glycine N-Methyltransferase Deficiency; Spermidine and Spermine Biosynthesis; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Homocystinuria-Megaloblastic Anemia Due to Defect in Cobalamin Metabolism, cblG Complementation Type; Hypermethioninemia" disease; metabolic 46506728 Putrescine CHEMBL46257 DB01919 Pentanal BE0003761 PRKACA P17612 KAPCA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha-hydrogen aldehydes Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds CCCCC=O 46504659 Pentanal CHEMBL18602 DB01927 Duroquinone BE0001184 NQO1 P15559 NQO1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental P-benzoquinones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Quinones CC1=C(C)C(=O)C(C)=C(C)C1=O 46507523 Duroquinone CHEMBL151604 DB01931 "5,7-Dichlorokynurenic acid" BE0000365 GRIN1 Q05586 NMDZ1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinoline carboxylic acids Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids "Excitatory Amino Acid Agents; Hydroxyquinolines; Xanthurenates; Heterocyclic Compounds, Fused-Ring; Excitatory Amino Acid Antagonists; Neurotransmitter Agents; Quinolines" OC(=O)C1=CC(O)=C2C(Cl)=CC(Cl)=CC2=N1 46504992 "5,7-Dichlorokynurenic_acid" CHEMBL50267 DB01933 7-Hydroxystaurosporine BE0001193 PDPK1 O15530 PDPK1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental; Investigational Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "Protein Kinase C, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles; Antineoplastic Agents; Protein Kinase Inhibitors" [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C4[C@@H](O)NC(=O)C4=C4C5=C(C=CC=C5)N2C4=C13 46508077 DCL001064 CHEMBL1236539 DB01940 Balanol Analog 2 BE0003761 PRKACA P17612 KAPCA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones [H][C@]1(CNCCC[C@@]1([H])OC(=O)C1=CC=C(C=C1)C(=O)C1=CC=CC=C1O)NC(=O)C1=CC=C(O)C=C1 46509073 DB01942 Formic acid BE0000689 FGF1 P05230 FGF1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental; Investigational Carboxylic acids Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids "Acids, Acyclic; Blood Coagulation Factors; Hemostatics" [H]C(O)=O "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; DOPA-Responsive Dystonia; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Pterine Biosynthesis; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); Hypercholesterolemia; Risedronate Action Pathway; Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency; Mevalonic Aciduria; Tryptophan Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; Cholesteryl Ester Storage Disease; Androgen and Estrogen Metabolism; Lovastatin Action Pathway; Folate Metabolism; Aromatase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 5235 46508355 PA449705 Formic_acid CHEMBL116736 4537 DB01942 Formic acid BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental; Investigational Carboxylic acids Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids "Acids, Acyclic; Blood Coagulation Factors; Hemostatics" [H]C(O)=O "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; DOPA-Responsive Dystonia; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Pterine Biosynthesis; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); Hypercholesterolemia; Risedronate Action Pathway; Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency; Mevalonic Aciduria; Tryptophan Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; Cholesteryl Ester Storage Disease; Androgen and Estrogen Metabolism; Lovastatin Action Pathway; Folate Metabolism; Aromatase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 5235 46508355 PA449705 Formic_acid CHEMBL116736 4537 DB01942 Formic acid BE0002624 CTBP1 Q13363 CTBP1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Carboxylic acids Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids "Acids, Acyclic; Blood Coagulation Factors; Hemostatics" [H]C(O)=O "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; DOPA-Responsive Dystonia; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Pterine Biosynthesis; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); Hypercholesterolemia; Risedronate Action Pathway; Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency; Mevalonic Aciduria; Tryptophan Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; Cholesteryl Ester Storage Disease; Androgen and Estrogen Metabolism; Lovastatin Action Pathway; Folate Metabolism; Aromatase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 5235 46508355 PA449705 Formic_acid CHEMBL116736 4537 DB01942 Formic acid BE0002641 CASK O14936 CSKP_HUMAN Experimental; Investigational Carboxylic acids Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids "Acids, Acyclic; Blood Coagulation Factors; Hemostatics" [H]C(O)=O "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; DOPA-Responsive Dystonia; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Pterine Biosynthesis; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); Hypercholesterolemia; Risedronate Action Pathway; Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency; Mevalonic Aciduria; Tryptophan Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; Cholesteryl Ester Storage Disease; Androgen and Estrogen Metabolism; Lovastatin Action Pathway; Folate Metabolism; Aromatase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 5235 46508355 PA449705 Formic_acid CHEMBL116736 4537 DB01942 Formic acid BE0004569 ACYP2 P14621 ACYP2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Carboxylic acids Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids "Acids, Acyclic; Blood Coagulation Factors; Hemostatics" [H]C(O)=O "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; DOPA-Responsive Dystonia; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Pterine Biosynthesis; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); Hypercholesterolemia; Risedronate Action Pathway; Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency; Mevalonic Aciduria; Tryptophan Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; Cholesteryl Ester Storage Disease; Androgen and Estrogen Metabolism; Lovastatin Action Pathway; Folate Metabolism; Aromatase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 5235 46508355 PA449705 Formic_acid CHEMBL116736 4537 DB01942 Formic acid BE0000067 NOS1 P29475 NOS1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Carboxylic acids Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids "Acids, Acyclic; Blood Coagulation Factors; Hemostatics" [H]C(O)=O "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; DOPA-Responsive Dystonia; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Pterine Biosynthesis; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); Hypercholesterolemia; Risedronate Action Pathway; Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency; Mevalonic Aciduria; Tryptophan Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; Cholesteryl Ester Storage Disease; Androgen and Estrogen Metabolism; Lovastatin Action Pathway; Folate Metabolism; Aromatase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 5235 46508355 PA449705 Formic_acid CHEMBL116736 4537 DB01942 Formic acid BE0002652 GPHN Q9NQX3 GEPH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Carboxylic acids Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids "Acids, Acyclic; Blood Coagulation Factors; Hemostatics" [H]C(O)=O "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; DOPA-Responsive Dystonia; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Pterine Biosynthesis; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); Hypercholesterolemia; Risedronate Action Pathway; Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency; Mevalonic Aciduria; Tryptophan Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; Cholesteryl Ester Storage Disease; Androgen and Estrogen Metabolism; Lovastatin Action Pathway; Folate Metabolism; Aromatase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 5235 46508355 PA449705 Formic_acid CHEMBL116736 4537 DB01942 Formic acid BE0002654 CYTH2 Q99418 CYH2_HUMAN Experimental; Investigational Carboxylic acids Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids "Acids, Acyclic; Blood Coagulation Factors; Hemostatics" [H]C(O)=O "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; DOPA-Responsive Dystonia; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Pterine Biosynthesis; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); Hypercholesterolemia; Risedronate Action Pathway; Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency; Mevalonic Aciduria; Tryptophan Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; Cholesteryl Ester Storage Disease; Androgen and Estrogen Metabolism; Lovastatin Action Pathway; Folate Metabolism; Aromatase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 5235 46508355 PA449705 Formic_acid CHEMBL116736 4537 DB01944 (S)-blebbistatin BE0003893 MYH14 Q7Z406 MYH14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrroloquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Pyrroloquinolines CC1=CC=C2N=C3N(CC[C@@]3(O)C(=O)C2=C1)C1=CC=CC=C1 46507910 CHEMBL1231358 DB01946 Bisindolylmaleimide VIII BE0001193 PDPK1 O15530 PDPK1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles "Protein Kinase C, antagonists & inhibitors; Dicarboxylic Acids; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Maleates; Hematologic Agents; Acids, Acyclic; Imides; Antiplatelet agents" CN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CN(CCCN)C2=C1C=CC=C2 46508045 CHEMBL269264 DB01947 RU78262 BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters OP(O)(=O)OC1=C(C=O)C=CC=C1 46507112 CHEMBL286678 DB01948 "1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One" BE0001019 MAPK14 Q16539 MK14_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phenylquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines FC1=CC=C(C(F)=C1)C1=CC(=CC2=C1CCC(=O)N2C1=C(Cl)C=CC=C1Cl)C1CCNCC1 46505375 CHEMBL564912 DB01950 AR-AO-14418 BE0001065 GSK3B P49841 GSK3B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Nitrothiazoles Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles "Sulfur Compounds; Amides; Glycogen Synthase Kinase 3, antagonists & inhibitors" COC1=CC=C(CNC(=O)NC2=NC=C(S2)[N+]([O-])=O)C=C1 46507570 CHEMBL259850 DB01951 Gpi-1046 BE0000695 FKBP1A P62942 FKB1A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@]1(CCCN1C(=O)C(=O)C(C)(C)CC)C(=O)OCCCC1=CN=CC=C1 46506804 CHEMBL6367 DB01953 Inhibitor of P38 Kinase BE0001019 MAPK14 Q16539 MK14_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles C(CC1=CC=NC=C1)C1=CNC2=CC=CC=C12 46506330 CHEMBL193156 DB01954 Rolipram BE0001287 PDE4D Q08499 PDE4D_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Phenylpyrrolidines Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines Phosphodiesterase 4 Inhibitors; Psychotropic Drugs; Pyrrolidines; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Pyrrolidinones; Antidepressive Agents; Phosphodiesterase Inhibitors COC1=C(OC2CCCC2)C=C(C=C1)C1CNC(=O)C1 46508075 D01783 PA153906323 Rolipram CHEMBL63 DB01954 Rolipram BE0000487 PDE4B Q07343 PDE4B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Phenylpyrrolidines Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines Phosphodiesterase 4 Inhibitors; Psychotropic Drugs; Pyrrolidines; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Pyrrolidinones; Antidepressive Agents; Phosphodiesterase Inhibitors COC1=C(OC2CCCC2)C=C(C=C1)C1CNC(=O)C1 46508075 D01783 PA153906323 Rolipram CHEMBL63 DB01954 Rolipram BE0009963 PDE4A Q08499 PDE4D_HUMAN inhibitor 22629087 "Shalaby AM, Kamal SM: Effect of rolipram, a phosphodiesterase enzyme type-4 inhibitor, on gamma-amino butyric acid content of the frontal cortex in mice exposed to chronic mild stress. J Pharmacol Pharmacother. 2012 Apr;3(2):132-7. doi: 10.4103/0976-500X.95509." Investigational Phenylpyrrolidines Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines Phosphodiesterase 4 Inhibitors; Psychotropic Drugs; Pyrrolidines; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Pyrrolidinones; Antidepressive Agents; Phosphodiesterase Inhibitors COC1=C(OC2CCCC2)C=C(C=C1)C1CNC(=O)C1 46508075 D01783 PA153906323 Rolipram CHEMBL63 DB01955 "1,4-Butanediol" BE0001414 MAN1B1 Q9UKM7 MA1B1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Alcohols; Glycols OCCCCO 46506248 DAP000983 "1,4-Butanediol" CHEMBL171623 DB01956 Taurine BE0000417 GRIN2B Q13224 NMDE2_HUMAN inhibitor 25833525 "Chan CY, Singh I, Magnuson H, Zohaib M, Bakshi KP, Le Francois B, Anazco-Ayala A, Lee EJ, Tom A, YeeMon K, Ragnauth A, Friedman E, Banerjee SP: Taurine Targets the GluN2b-Containing NMDA Receptor Subtype. Adv Exp Med Biol. 2015;803:531-44. doi: 10.1007/978-3-319-15126-7_43." Approved; Nutraceutical Organosulfonic acids Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives "Hydrocarbons, Acyclic; Amino Acids; Alkanesulfonic Acids; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes; Amino Acids, Peptides, and Proteins" NCCS(O)(=O)=O Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; Taurine and Hypotaurine Metabolism; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX) disease; metabolic 1366 46506189 D00047 PA451590 Taurine CHEMBL239243 10337 DB01956 Taurine BE0000745 GLRA2 P23416 GLRA2_HUMAN agonist Approved; Nutraceutical Organosulfonic acids Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives "Hydrocarbons, Acyclic; Amino Acids; Alkanesulfonic Acids; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes; Amino Acids, Peptides, and Proteins" NCCS(O)(=O)=O Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; Taurine and Hypotaurine Metabolism; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX) disease; metabolic 1366 46506189 D00047 PA451590 Taurine CHEMBL239243 10337 DB01956 Taurine BE0000414 GLRA3 O75311 GLRA3_HUMAN agonist Approved; Nutraceutical Organosulfonic acids Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives "Hydrocarbons, Acyclic; Amino Acids; Alkanesulfonic Acids; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes; Amino Acids, Peptides, and Proteins" NCCS(O)(=O)=O Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; Taurine and Hypotaurine Metabolism; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX) disease; metabolic 1366 46506189 D00047 PA451590 Taurine CHEMBL239243 10337 DB01956 Taurine BE0000433 GLRA1 P23415 GLRA1_HUMAN agonist 15081878 "Jensen AA, Kristiansen U: Functional characterisation of the human alpha1 glycine receptor in a fluorescence-based membrane potential assay. Biochem Pharmacol. 2004 May 1;67(9):1789-99." Approved; Nutraceutical Organosulfonic acids Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives "Hydrocarbons, Acyclic; Amino Acids; Alkanesulfonic Acids; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes; Amino Acids, Peptides, and Proteins" NCCS(O)(=O)=O Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; Taurine and Hypotaurine Metabolism; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX) disease; metabolic 1366 46506189 D00047 PA451590 Taurine CHEMBL239243 10337 DB01959 "3,5-Dimethyl-1-(3-Nitrophenyl)-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester" BE0001287 PDE4D Q08499 PDE4D_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CCOC(=O)C1=C(C)N(N=C1C)C1=CC(=CC=C1)[N+]([O-])=O 46507758 DB01959 "3,5-Dimethyl-1-(3-Nitrophenyl)-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester" BE0000487 PDE4B Q07343 PDE4B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CCOC(=O)C1=C(C)N(N=C1C)C1=CC(=CC=C1)[N+]([O-])=O 46507758 DB01960 "7-methyl-7,8-dihydroguanosine-5'-diphosphate" BE0001215 DCPS Q96C86 DCPS_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" CN1CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2 46506566 DB01960 "7-methyl-7,8-dihydroguanosine-5'-diphosphate" BE0000957 EIF4E P06730 IF4E_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" CN1CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2 46506566 DB01962 Phosphonotyrosine BE0000838 SRC P12931 SRC_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O 46507690 CHEMBL286939 DB01962 Phosphonotyrosine BE0000453 KIT P10721 KIT_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O 46507690 CHEMBL286939 DB01964 AL5424 BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides [H][C@]1(O)CN(C2=CC=C(OC)C=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O 46507207 DB01966 Di-Stearoyl-3-Sn-Phosphatidylethanolamine BE0001175 PSAP P07602 SAP_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phosphatidylethanolamines Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoethanolamines CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC 46507524 DB01969 Trifluoroacetonyl coenzyme A BE0004459 CS O75390 CISY_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental S-alkyl-CoAs Organic compounds; Lipids and lipid-like molecules; S-alkyl-CoAs [H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)C(F)(F)F)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1 46506152 DB01970 "Hg9a-9, Nonanoyl-N-Hydroxyethylglucamide" BE0001223 PDE3B Q13370 PDE3B_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental N-acyl amines Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty amides [H][C@](O)(CO)[C@]([H])(O)[C@]([H])(O)[C@]([H])(O)CN(CCO)C(=O)CCCCCCCC 46508384 DB01972 Guanosine-5'-Monophosphate BE0004524 DLG4 P78352 DLG4_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 Clomocycline Action Pathway; Lesch-Nyhan Syndrome (LNS); Xanthinuria Type I; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Purine Nucleoside Phosphorylase Deficiency; Azithromycin Action Pathway; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Clindamycin Action Pathway; Mercaptopurine Action Pathway; Clarithromycin Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Hyperinsulinism-Hyperammonemia Syndrome; Troleandomycin Action Pathway; Mitochondrial DNA Depletion Syndrome; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Neomycin Action Pathway; Roxithromycin Action Pathway; Purine Metabolism; Arbekacin Action Pathway; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Streptomycin Action Pathway disease; metabolic; drug_action 46504973 CHEMBL283807 DB01972 Guanosine-5'-Monophosphate BE0000182 PDE5A O76074 PDE5A_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 Clomocycline Action Pathway; Lesch-Nyhan Syndrome (LNS); Xanthinuria Type I; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Purine Nucleoside Phosphorylase Deficiency; Azithromycin Action Pathway; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Clindamycin Action Pathway; Mercaptopurine Action Pathway; Clarithromycin Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Hyperinsulinism-Hyperammonemia Syndrome; Troleandomycin Action Pathway; Mitochondrial DNA Depletion Syndrome; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Neomycin Action Pathway; Roxithromycin Action Pathway; Purine Metabolism; Arbekacin Action Pathway; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Streptomycin Action Pathway disease; metabolic; drug_action 46504973 CHEMBL283807 DB01972 Guanosine-5'-Monophosphate BE0001473 HINT1 P49773 HINT1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 Clomocycline Action Pathway; Lesch-Nyhan Syndrome (LNS); Xanthinuria Type I; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Purine Nucleoside Phosphorylase Deficiency; Azithromycin Action Pathway; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Clindamycin Action Pathway; Mercaptopurine Action Pathway; Clarithromycin Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Hyperinsulinism-Hyperammonemia Syndrome; Troleandomycin Action Pathway; Mitochondrial DNA Depletion Syndrome; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Neomycin Action Pathway; Roxithromycin Action Pathway; Purine Metabolism; Arbekacin Action Pathway; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Streptomycin Action Pathway disease; metabolic; drug_action 46504973 CHEMBL283807 DB01972 Guanosine-5'-Monophosphate BE0001240 ATIC P31939 PUR9_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 Clomocycline Action Pathway; Lesch-Nyhan Syndrome (LNS); Xanthinuria Type I; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Purine Nucleoside Phosphorylase Deficiency; Azithromycin Action Pathway; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Clindamycin Action Pathway; Mercaptopurine Action Pathway; Clarithromycin Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Hyperinsulinism-Hyperammonemia Syndrome; Troleandomycin Action Pathway; Mitochondrial DNA Depletion Syndrome; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Neomycin Action Pathway; Roxithromycin Action Pathway; Purine Metabolism; Arbekacin Action Pathway; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Streptomycin Action Pathway disease; metabolic; drug_action 46504973 CHEMBL283807 DB01983 2(S)-Amino-6-Boronohexanoic Acid BE0000286 ARG1 P05089 ARGI1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CCCC[B-](O)(O)O)C(O)=O 46506382 DB01988 6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine BE0001019 MAPK14 Q16539 MK14_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines C([C@H]1CN(CCN1)C1=NN=C(C2=CC3=CC=CC=C3C=C2)C(=C1)C1=CC=NC=C1)C1=CC=CC=C1 46506846 DB01989 Methyl N-{[(1R)-1-({1-[(benzyloxy)carbonyl]-L-prolyl-6-ammonio-L-norleucyl}amino)-2-phenylethyl](hydroxy)phosphoryl}-L-alanyl-L-prolinate BE0004479 TLL2 Q9Y6L7 TLL2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H]N([C@@H](CCCC[N+]([H])([H])[H])C(=O)N([H])[C@@H](CC1=CC=CC=C1)P(O)(=O)N([H])[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC)C(=O)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1 46506751 DB01990 Cholesterol sulfate BE0004545 RORA P35398 RORA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Cholesterols and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids "Cholestanes; Fused-Ring Compounds; Protease Inhibitors; Serine Protease Inhibitors; Anticarcinogenic Agents; Sterols; Enzyme Inhibitors; Lipids; Protective Agents; Cholestenes; Steroids; Membrane Lipids; Compounds used in a research, industrial, or household setting" [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCCC(C)C 46507419 Cholesterol_sulfate CHEMBL1231592 DB01992 Coenzyme A BE0000574 HMGCR P04035 HMDH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational; Nutraceutical Coenzyme A and derivatives "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Coenzyme A, biosynthesis" CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS 46507023 Coenzyme_A CHEMBL1213327 1314344 DB01992 Coenzyme A BE0004578 KAT5 Q92993 KAT5_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational; Nutraceutical Coenzyme A and derivatives "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Coenzyme A, biosynthesis" CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS 46507023 Coenzyme_A CHEMBL1213327 1314344 DB01992 Coenzyme A BE0004459 CS O75390 CISY_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational; Nutraceutical Coenzyme A and derivatives "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Coenzyme A, biosynthesis" CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS 46507023 Coenzyme_A CHEMBL1213327 1314344 DB01992 Coenzyme A BE0002683 KAT2B Q92831 KAT2B_HUMAN Investigational; Nutraceutical Coenzyme A and derivatives "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Coenzyme A, biosynthesis" CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS 46507023 Coenzyme_A CHEMBL1213327 1314344 DB01997 3-Bromo-7-Nitroindazole BE0000067 NOS1 P29475 NOS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indazoles Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles "Nitric Oxide Synthase, antagonists & inhibitors; Pyrazoles; Heterocyclic Compounds, Fused-Ring" BrC1=NNC2=C1C=CC=C2N(=O)=O 46507791 CHEMBL479014 DB01997 3-Bromo-7-Nitroindazole BE0000005 NOS2 P35228 NOS2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indazoles Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles "Nitric Oxide Synthase, antagonists & inhibitors; Pyrazoles; Heterocyclic Compounds, Fused-Ring" BrC1=NNC2=C1C=CC=C2N(=O)=O 46507791 CHEMBL479014 DB02007 alpha-D-glucose 6-phosphate BE0001108 HK1 P19367 HXK1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Hexose phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O 46505235 DB02007 alpha-D-glucose 6-phosphate BE0001199 GPI P06744 G6PI_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hexose phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O 46505235 DB02010 Staurosporine BE0000842 LCK P06239 LCK_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles" [H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC 46504923 PA165109623 DNC001380 Staurosporine CHEMBL388978 DB02010 Staurosporine BE0001341 ITK Q08881 ITK_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles" [H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC 46504923 PA165109623 DNC001380 Staurosporine CHEMBL388978 DB02010 Staurosporine BE0001316 SYK P43405 KSYK_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles" [H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC 46504923 PA165109623 DNC001380 Staurosporine CHEMBL388978 DB02010 Staurosporine BE0001373 MAPKAPK2 P49137 MAPK2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles" [H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC 46504923 PA165109623 DNC001380 Staurosporine CHEMBL388978 DB02010 Staurosporine BE0001065 GSK3B P49841 GSK3B_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles" [H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC 46504923 PA165109623 DNC001380 Staurosporine CHEMBL388978 DB02010 Staurosporine BE0001356 CSK P41240 CSK_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles" [H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC 46504923 PA165109623 DNC001380 Staurosporine CHEMBL388978 DB02010 Staurosporine BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles" [H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC 46504923 PA165109623 DNC001380 Staurosporine CHEMBL388978 DB02010 Staurosporine BE0001315 PIK3CG P48736 PK3CG_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles" [H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC 46504923 PA165109623 DNC001380 Staurosporine CHEMBL388978 DB02010 Staurosporine BE0001193 PDPK1 O15530 PDPK1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles" [H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC 46504923 PA165109623 DNC001380 Staurosporine CHEMBL388978 DB02010 Staurosporine BE0001385 PRKCQ Q04759 KPCT_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles" [H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC 46504923 PA165109623 DNC001380 Staurosporine CHEMBL388978 DB02010 Staurosporine BE0001312 ZAP70 P43403 ZAP70_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles" [H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC 46504923 PA165109623 DNC001380 Staurosporine CHEMBL388978 DB02010 Staurosporine BE0004895 PRKCA Q05513 KPCZ_HUMAN inhibitor 2154178 "Mattern MR, Mong S, Mong SM, Bartus JO, Sarau HM, Clark MA, Foley JJ, Crooke ST: Transient activation of topoisomerase I in leukotriene D4 signal transduction in human cells. Biochem J. 1990 Jan 1;265(1):101-7. doi: 10.1042/bj2650101." Experimental Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles" [H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC 46504923 PA165109623 DNC001380 Staurosporine CHEMBL388978 DB02014 "5-(2-Fluoro-5-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]-1-propen-1-yl}phenyl)-1,2-oxazole-3-carboxylic acid" BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental o-Hydroxybenzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives COC(=O)C1=C(O)C=CC=C1OC\C=C\C1=CC(C2=CC(=NO2)C(O)=O)=C(F)C=C1 46506116 CHEMBL117869 DB02016 R048-8071 BE0001466 LSS P48449 ERG7_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones CN(CCCCCCOC1=CC=C(C(=O)C2=CC=C(Br)C=C2)C(F)=C1)CC=C 46505901 CHEMBL304858 DB02027 N-{(4S)-4-Amino-5-[(2-aminoethyl)amino]pentyl}-N'-nitroguanidine BE0000067 NOS1 P29475 NOS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Nitroguanidines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines NCCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O 46504827 CHEMBL227937 DB02028 "(1R,2R,3S,4R,6S)-3,4,6-Trihydroxy-5-{[(S)-hydroxy(3-hydroxy-2-oxopropoxy)phosphoryl]oxy}-1,2-cyclohexanediyl bis[dihydrogen (phosphate)]" BE0004544 TUB P50607 TUB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols OCC(=O)COP(O)(=O)OC1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O 46505118 DB02034 Tridolgosir BE0003505 MAN2A1 Q16706 MA2A1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolizidines Organic compounds; Organoheterocyclic compounds; Indolizidines [H][C@@]1(O)CN2CCC[C@@]([H])(O)[C@]2([H])[C@]1([H])O 46506581 Swainsonine CHEMBL371197 DB02039 S-Acetyl-Cysteine BE0004578 KAT5 Q92993 KAT5_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H][C@](N)(CSC(C)=O)C(O)=O 46505017 DB02044 N-[3-(aminomethyl)benzyl]acetamidine BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylmethylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines CC(=N)NCC1=CC(CN)=CC=C1 46507793 CHEMBL107251 DB02044 N-[3-(aminomethyl)benzyl]acetamidine BE0000067 NOS1 P29475 NOS1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylmethylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines CC(=N)NCC1=CC(CN)=CC=C1 46507793 CHEMBL107251 DB02046 N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid BE0003872 ADAM28 Q9UKQ2 ADA28_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Leucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CC(C)C)(NC(=O)C1=CC=CO1)C(=O)N[C@@]([H])(CC1=CNC2=C1C=CC=C2)P(O)(O)=O 46505506 DB02052 Indirubin-3'-monoxime BE0001072 CDK2 P24941 CDK2_HUMAN inhibitor 10592235; 11752352 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines "Amines; Hydroxylamines; Heterocyclic Compounds, Fused-Ring" O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=C1C=CC=C2 46507166 DNC000796 CHEMBL216543 DB02052 Indirubin-3'-monoxime BE0003721 AHR P35869 AHR_HUMAN agonist 15001395 "Peter Guengerich F, Martin MV, McCormick WA, Nguyen LP, Glover E, Bradfield CA: Aryl hydrocarbon receptor response to indigoids in vitro and in vivo. Arch Biochem Biophys. 2004 Mar 15;423(2):309-16." Experimental Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines "Amines; Hydroxylamines; Heterocyclic Compounds, Fused-Ring" O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=C1C=CC=C2 46507166 DNC000796 CHEMBL216543 DB02052 Indirubin-3'-monoxime BE0001065 GSK3B P49841 GSK3B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines "Amines; Hydroxylamines; Heterocyclic Compounds, Fused-Ring" O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=C1C=CC=C2 46507166 DNC000796 CHEMBL216543 DB02052 Indirubin-3'-monoxime BE0001082 CDK1 P06493 CDK1_HUMAN binder 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines "Amines; Hydroxylamines; Heterocyclic Compounds, Fused-Ring" O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=C1C=CC=C2 46507166 DNC000796 CHEMBL216543 DB02056 Prostaglandin D2 BE0000592 AKR1C3 P42330 AK1C3_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Prostaglandins and related compounds Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids "Inflammation Mediators; Biological Factors; Prostaglandin D2, antagonists & inhibitors; Prostaglandins; Prostaglandins D; Lipids; Autacoids; Fatty Acids; Eicosanoids; Fatty Acids, Unsaturated" [H][C@](O)(CCCCC)\C=C\[C@@]1([H])C(=O)C[C@]([H])(O)[C@]1([H])C\C=C/CCCC(O)=O Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; Rofecoxib Action Pathway; Bromfenac Action Pathway; Ketoprofen Action Pathway; Sulindac Action Pathway; Fenoprofen Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; Tolmetin Action Pathway; Lornoxicam Action Pathway; Trisalicylate-Choline Action Pathway; Antrafenine Action Pathway; Celecoxib Action Pathway; Suprofen Action Pathway; Indomethacin Action Pathway; Valdecoxib Action Pathway; Ketorolac Action Pathway; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Tiaprofenic Acid Action Pathway; Ibuprofen Action Pathway; Tenoxicam Action Pathway; Salicylic Acid Action Pathway; Diclofenac Action Pathway; Nepafenac Action Pathway; Leukotriene C4 Synthesis Deficiency; Magnesium Salicylate Action Pathway; Diflunisal Action Pathway; Etodolac Action Pathway disease; metabolic; drug_action 46504574 Prostaglandin_D2 CHEMBL1235252 DB02057 (S)-AMPA BE0000829 GRIA2 P42262 GRIA2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CC1=C(C[C@H](N)C(O)=O)C(O)=NO1 46505942 AMPA CHEMBL276815 DB02058 3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone BE0002131 FGFR1 P11362 FGFR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Tyrosine Kinase Inhibitors [H]N1C(=O)C(CC2=CC=C(C=C2)N2CCN(CC2)C=O)C2=CC=CC=C12 46508294 DNC001385 DB02058 3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone BE0000748 FGFR2 P21802 FGFR2_HUMAN 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Tyrosine Kinase Inhibitors [H]N1C(=O)C(CC2=CC=C(C=C2)N2CCN(CC2)C=O)C2=CC=CC=C12 46508294 DNC001385 DB02059 Adenosine-5-Diphosphoribose BE0003362 SIRT5 Q9NXA8 SIR5_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleotide sugars "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars" NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1 46508870 DB02059 Adenosine-5-Diphosphoribose BE0004281 EEF2 P13639 EF2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleotide sugars "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars" NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1 46508870 DB02059 Adenosine-5-Diphosphoribose BE0004547 SIRT3 Q9NTG7 SIR3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleotide sugars "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars" NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1 46508870 DB02062 "N-[3-[(1-Aminoethyl)(Hydroxy)Phosphoryl]-2-(1,1'-Biphenyl-4-Ylmethyl)Propanoyl]Alanine" BE0001680 LTA4H P09960 LKHA4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acyl-L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](C)(N)[P@](O)(=O)C[C@@]([H])(CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)N[C@@]([H])(C)C(O)=O 46508788 DB02062 "N-[3-[(1-Aminoethyl)(Hydroxy)Phosphoryl]-2-(1,1'-Biphenyl-4-Ylmethyl)Propanoyl]Alanine" BE0000266 MME P08473 NEP_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acyl-L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](C)(N)[P@](O)(=O)C[C@@]([H])(CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)N[C@@]([H])(C)C(O)=O 46508788 DB02067 Triglu-5-formyl-tetrahydrofolate BE0000331 SHMT1 P34896 GLYC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tetrahydrofolic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives Vitamins; Folic Acid and Derivatives; Vitamin B Complex [H]N([H])C1=NC(=O)C2=C(N([H])C[C@H](CN([H])C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(=O)N([H])[C@@H](CCC(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)N2C=O)N1[H] 46506661 CHEMBL1236268 DB02069 N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-benzylbenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=CC=C1F 46505771 DB02072 "2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Thiopyran-3-Carboxylic Acid" BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" OC(=O)C(=O)NC1=C(C(O)=O)C2=C(CSCC2)S1 46505435 CHEMBL139423 DB02073 Biliverdine IX Alpha BE0004467 MB P02144 MYG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Bilirubins Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Bilirubins CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(/C=C2\NC(=O)C(C=C)=C2C)C(C)=C1CCC(O)=O 46505998 CHEMBL455477 DB02076 6-phospho-D-gluconic acid BE0001199 GPI P06744 G6PI_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Monosaccharide phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Sugar Acids; Hydroxy Acids; Carbohydrates; Acids, Acyclic" O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O 46506816 6-Phosphogluconic_acid CHEMBL1230513 DB02077 L-N(omega)-nitroarginine-(4R)-amino-L-proline amide BE0000067 NOS1 P29475 NOS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CCC\N=C(/N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O 46507698 CHEMBL228077 DB02078 Triglyme BE0004295 PFN2 P35080 PROF2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dialkyl ethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Glycols; Polymers; Alcohols; Macromolecular Substances; Ethylene Glycols; Compounds used in a research, industrial, or household setting" COCCOCCOCCOC 46505275 Triglyme CHEMBL1235255 DB02078 Triglyme BE0000839 FYN P06241 FYN_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dialkyl ethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Glycols; Polymers; Alcohols; Macromolecular Substances; Ethylene Glycols; Compounds used in a research, industrial, or household setting" COCCOCCOCCOC 46505275 Triglyme CHEMBL1235255 DB02082 Phosphoaminophosphonic acid guanylate ester BE0004478 RAB8B Q92930 RAB8B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Heterocyclic Compounds, Fused-Ring; Purines; Purine Nucleotides; Ribonucleotides; Guanine Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Guanosine Triphosphate" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46506592 CHEMBL1233085 DB02087 "3,5-Difluorobenzenesulfonamide" BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=CC(F)=CC(F)=C1 46506239 DB02091 "4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,4,5-trisubstituted thiazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles CC1=NC(C)=C(S1)C1=NC(N)=NC=C1 46506617 CHEMBL47302 DB02091 "4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine" BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,4,5-trisubstituted thiazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles CC1=NC(C)=C(S1)C1=NC(N)=NC=C1 46506617 CHEMBL47302 DB02093 5-phospho-D-arabinohydroxamic acid BE0001199 GPI P06744 G6PI_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pentose phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H]N(O)C(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O 46508349 CHEMBL1235136 DB02096 FR221647 BE0002214 ADA P00813 ADA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-heteroaryl carboxamides Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives [H][C@](CO)(CCC1=CC=CC=C1)N1C=NC(=C1)C(N)=O 46507568 CHEMBL329433 DB02097 Cytidine BE0001480 UCK2 Q9BZX2 UCK2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Pyrimidine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides" "Ribonucleosides; Nucleosides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Pyrimidine Nucleosides" NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 46507502 D07769 Cytidine CHEMBL95606 DB02103 2-Chlorodideoxyadenosine BE0001165 HSP90B1 P14625 ENPL_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Purine 2',3'-dideoxyribonucleosides" "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2',3'-dideoxyribonucleosides" [H][C@@]1(CO)CC[C@@]([H])(O1)N1C=NC2=C1N=C(Cl)N=C2N 46506919 DB02104 "2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine" BE0000330 DHFR P00374 DYR_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Pyrido[2,3-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines; Pyrido[2,3-d]pyrimidines" COC1=CC(=CC(OC)=C1OC)N(C)CC1=C(C)C2=C(N)N=C(N)N=C2N=C1 46508492 CHEMBL50514 DB02105 "3,5-Dinitrocatechol" BE0002089 COMT P21964 COMT_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dinitrophenols Organic compounds; Benzenoids; Phenols; Nitrophenols Anti-Parkinson Drugs; Central Nervous System Agents; Enzyme Inhibitors; Phenols; Benzene Derivatives; Anti-Dyskinesia Agents; COMT Inhibitors OC1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O 46507481 CHEMBL168276 DB02106 "[3,5-Dibromo-4-(4-Hydroxy-3-Phenethylcarbamoyl-Phenoxy)-Phenyl]-Acetic Acid" BE0000315 THRB P10828 THB_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Bromodiphenyl ethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers OC(O)CC1=CC(Br)=C(OC2=CC(C(O)NCCC3=CC=CC=C3)=C(O)C=C2)C(Br)=C1 46505732 DB02108 2-Aminoethanimidic Acid BE0000939 CTSB P07858 CATB_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental NCC=N 46505480 DB02109 Hadacidin BE0002231 ADSSL1 Q8N142 PURA1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-formyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Teratogens; Antibiotics, Antineoplastic; Toxic Actions; Noxae; Amino Acids, Peptides, and Proteins; Antineoplastic Agents" ON(CC(O)=O)C=O 46505891 DNC000723 Hadacidin CHEMBL331373 DB02115 Daidzin BE0000133 ALDH2 P05091 ALDH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoflavonoid O-glycosides Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides "Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; BCRP/ABCG2 Inhibitors; Central Nervous System Agents; Enzyme Inhibitors; Pyrans; Flavonoids; Alcohol Deterrents" [H][C@]1(CO)O[C@@]([H])(OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O 46505206 Daidzin CHEMBL486422 DB02116 Olomoucine BE0000923 MAPK1 P28482 MK01_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-alkylaminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Heterocyclic Compounds, Fused-Ring; Purines; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Cytokinins" CN1C=NC2=C1N=C(NCCO)N=C2NCC1=CC=CC=C1 46508610 DNC001057 Glial_scar CHEMBL280074 DB02116 Olomoucine BE0001072 CDK2 P24941 CDK2_HUMAN inhibitor 17139284; 17016423; 10592235; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental 6-alkylaminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Heterocyclic Compounds, Fused-Ring; Purines; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Cytokinins" CN1C=NC2=C1N=C(NCCO)N=C2NCC1=CC=CC=C1 46508610 DNC001057 Glial_scar CHEMBL280074 DB02116 Olomoucine BE0001082 CDK1 P06493 CDK1_HUMAN binder 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental 6-alkylaminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Heterocyclic Compounds, Fused-Ring; Purines; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Cytokinins" CN1C=NC2=C1N=C(NCCO)N=C2NCC1=CC=CC=C1 46508610 DNC001057 Glial_scar CHEMBL280074 DB02131 N-1-methylheptylformamide BE0000465 ADH1C P00326 ADH1G_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Secondary carboxylic acid amides Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives [H]N(C=O)[C@H](C)CCCCCC 46504613 DB02140 N1-(1-Dimethylcarbamoyl-2-Phenyl-Ethyl)-2-Oxo-N4-(2-Pyridin-2-Yl-Ethyl)-Succinamide BE0003970 CTSH P09668 CATH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CC1=CC=CC=C1)(NC(=O)C(=O)CC(=O)NCCC1=NC=CC=C1)C(=O)N(C)C 46507687 DB02142 Pyridoxamine-5'-Phosphate BE0000273 CCBL1 Q16773 KAT1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Pyridoxamine 5'-phosphates Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines CC1=NC=C(COP(O)(O)=O)C(CN)=C1O Hypophosphatasia; Vitamin B6 Metabolism disease; metabolic 46506503 CHEMBL1235353 DB02142 Pyridoxamine-5'-Phosphate BE0000721 BCAT2 O15382 BCAT2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Pyridoxamine 5'-phosphates Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines CC1=NC=C(COP(O)(O)=O)C(CN)=C1O Hypophosphatasia; Vitamin B6 Metabolism disease; metabolic 46506503 CHEMBL1235353 DB02143 1-hydroxy-2-isopropylguanidine BE0000067 NOS1 P29475 NOS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-hydroxyguanidines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines CC(C)\N=C(/N)NO 46505994 CHEMBL72434 DB02144 "1,2-diacyl-sn-glycero-3-phosphoinositol" BE0001505 PITPNA Q00169 PIPNA_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental 1-phosphatidyl-1D-myo-inositols Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoinositols [H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)O[C@@]1([H])[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O 46506660 DB02148 3-Amino-4-Oxybenzyl-2-Butanone BE0000939 CTSB P07858 CATB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers CC(=O)[C@@H](N)COCC1=CC=CC=C1 46506319 CHEMBL1235900 DB02152 K-252a BE0000870 MAP2K1 Q02750 MP2K1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "Protein Kinase C, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Alkaloids; Indolizines; Indoles" [H][C@]12C[C@](O)(C(=O)OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C4CNC(=O)C4=C4C5=CC=CC=C5N2C4=C13 46504455 CHEMBL281948 DB02152 K-252a BE0000915 MET P08581 MET_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "Protein Kinase C, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Alkaloids; Indolizines; Indoles" [H][C@]12C[C@](O)(C(=O)OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C4CNC(=O)C4=C4C5=CC=CC=C5N2C4=C13 46504455 CHEMBL281948 DB02153 3-sulfino-L-alanine BE0004515 PAPOLA P51003 PAPOA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](C[S@@](O)=O)C(O)=O 46505410 CHEMBL1160508 DB02153 3-sulfino-L-alanine BE0000648 GSR P00390 GSHR_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](C[S@@](O)=O)C(O)=O 46505410 CHEMBL1160508 DB02155 3-[(3-sec-butyl-4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxy-5-methoxybenzoyl)benzoate BE0003761 PRKACA P17612 KAPCA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones [H]N([C@@H]1CN([H])CCC[C@H]1OC(=O)C1=CC=C(C=C1)C(=O)C1=C(O)C=CC(OC)=C1)C(=O)C1=CC([C@@H](C)CC)=C(O)C=C1 46507987 DB02162 5'-O-(N-Ethyl-Sulfamoyl)Adenosine BE0001473 HINT1 P49773 HINT1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" [H][C@]1(COS(=O)(=O)NCC)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O 46506758 DB02169 "9,10-Deepithio-9,10-Didehydroacanthifolicin" BE0001447 PPP1CC P36873 PP1G_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Ketals Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers [H]\C(=C(\[H])[C@@]1([H])CC[C@@]2(CC[C@@]3([H])O[C@@]([H])(C(=C)[C@@]([H])(O)[C@]3([H])O2)[C@@]([H])(O)C[C@]([H])(C)[C@@]2([H])O[C@@]3(CCCCO3)CC[C@@]2([H])C)O1)[C@@]([H])(C)[C@]1([H])CC(C)=C[C@@]2(O[C@]([H])(C[C@@](C)(O)C(O)=O)CC[C@@]2([H])O)O1 46504468 CHEMBL280487 DB02170 "1,8-Di-Hydroxy-4-Nitro-Xanthen-9-One" BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Xanthones Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans OC1=CC=C(C2=C1C(=O)C1=C(O)C=CC=C1O2)[N+]([O-])=O 46508489 CHEMBL270512 DB02175 Malonic acid BE0000838 SRC P12931 SRC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Thallium; Acids, Acyclic; Dicarboxylic Acids" OC(=O)CC(O)=O Fatty Acid Biosynthesis metabolic 46504875 Malonic_acid CHEMBL7942 DB02175 Malonic acid BE0002708 SNRPA P09012 SNRPA_HUMAN Experimental Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Thallium; Acids, Acyclic; Dicarboxylic Acids" OC(=O)CC(O)=O Fatty Acid Biosynthesis metabolic 46504875 Malonic_acid CHEMBL7942 DB02177 1-Acetyl-4-(4-{4-[(2-Ethoxyphenyl)Thio]-3-Nitrophenyl}Pyridin-2-Yl)Piperazine BE0000516 ITGAL P20701 ITAL_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Pyridinylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines CCOC1=CC=CC=C1SC1=C(C=C(C=C1)C1=CC(=NC=C1)N1CCN(CC1)C(C)=O)N(=O)=O 46504944 DB02180 Myristoyl-Coa BE0003780 NMT2 O60551 NMT2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain fatty acyl CoAs Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Thioesters of coenzyme A" CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 46507714 DB02183 Adenosine-5'-ditungstate BE0001473 HINT1 P49773 HINT1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental NC1=C2N=CN(C3OC(CO[W](O)(=O)O[W](O)(O)=O)C(O)C3O)C2=NC=N1 46504581 DB02185 "2,4-Dihydroxy-7-(Methyloxy)-2h-1,4-Benzoxazin-3(4h)-One" BE0004111 LCTL Q6UWM7 LCTL_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoxazinones Organic compounds; Organoheterocyclic compounds; Benzoxazines; Benzoxazinones [H][C@@]1(O)OC2=C(C=CC(OC)=C2)N(O)C1=O 46508130 DB02187 Equilin BE0000123 ESR1 P03372 ESR1_HUMAN 21138273 "Starcevic S, Brozic P, Turk S, Cesar J, Rizner TL, Gobec S: Synthesis and biological evaluation of (6- and 7-phenyl) coumarin derivatives as selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1. J Med Chem. 2011 Jan 13;54(1):248-61. doi: 10.1021/jm101104z. Epub 2010 Dec 7." Experimental Oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids "Fused-Ring Compounds; Steroids; Gonadal Steroid Hormones; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Gonadal Hormones; Ketosteroids; Estranes; Cytochrome P-450 CYP3A Substrates; Hormones; 17-Ketosteroids; Cytochrome P-450 CYP3A4 Substrates; Estradiol Congeners; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC=C21)C=C(O)C=C3 46506633 D04041 Equilin CHEMBL323533 DB02189 "2',3'-Dideoxyadenosine triphosphate" BE0004486 DNTT P04053 TDT_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Purine 2',3'-dideoxyribonucleoside triphosphates" "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides" "Deoxyribonucleotides; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC1=C2N=CN([C@H]3CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC=N1 Didanosine Action Pathway drug_action 46506011 CHEMBL1383 DB02195 "3-(4-Fluorophenyl)-1-Hydroxy-2-(Pyridin-4-Yl)-1h-Pyrrolo[3,2-B]Pyridine" BE0001019 MAPK14 Q16539 MK14_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrroles Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles ON1C2=CC=CN=C2C(=C1C1=CC=NC=C1)C1=CC=C(F)C=C1 46505327 DB02196 Uridine-Diphosphate-N-Acetylgalactosamine BE0001429 UAP1 Q16222 UAP1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Pyrimidine nucleotide sugars "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars" CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O 46508676 DB02196 Uridine-Diphosphate-N-Acetylgalactosamine BE0000214 ABO P16442 BGAT_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Pyrimidine nucleotide sugars "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars" CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O 46508676 DB02197 "4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide" BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C3C=CC=CN23)C=C1 46504935 CHEMBL73303 DB02201 Malonate Ion BE0004444 SDF2 Q99470 SDF2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives [O-]C(=O)CC([O-])=O 46506949 DB02207 7-Nitroindazole BE0000005 NOS2 P35228 NOS2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indazoles Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles "Sensory System Agents; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Psychotropic Drugs; Pyrazoles; Tranquilizing Agents; Protective Agents; Nitric Oxide Synthase, antagonists & inhibitors; Peripheral Nervous System Agents; Analgesics; Anticonvulsants; Neuroprotective Agents; Compounds used in a research, industrial, or household setting" O=N(=O)C1=CC=CC2=CNN=C12 46504896 7-Nitroindazole CHEMBL247378 DB02207 7-Nitroindazole BE0000067 NOS1 P29475 NOS1_HUMAN inhibitor 28101475 "Eslami SM, Moradi MM, Ghasemi M, Dehpour AR: Anticonvulsive Effects of Licofelone on Status Epilepticus Induced by Lithium-pilocarpine in Wistar Rats: a Role for Inducible Nitric Oxide Synthase. J Epilepsy Res. 2016 Dec 31;6(2):51-58. doi: 10.14581/jer.16011. eCollection 2016 Dec." Experimental Indazoles Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles "Sensory System Agents; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Psychotropic Drugs; Pyrazoles; Tranquilizing Agents; Protective Agents; Nitric Oxide Synthase, antagonists & inhibitors; Peripheral Nervous System Agents; Analgesics; Anticonvulsants; Neuroprotective Agents; Compounds used in a research, industrial, or household setting" O=N(=O)C1=CC=CC2=CNN=C12 46504896 7-Nitroindazole CHEMBL247378 DB02209 Pyridoxine phosphate BE0000404 ODC1 P11926 DCOR_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyridoxine-5'-phosphates Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Picolines; Pyridines CC1=NC=C(COP(O)(O)=O)C(CO)=C1O Hypophosphatasia; Vitamin B6 Metabolism disease; metabolic 46505900 DB02210 "Hexane-1,6-Diol" BE0001076 HRAS P01112 RASH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty alcohols Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty alcohols OCCCCCCO 46508366 CHEMBL458616 DB02210 "Hexane-1,6-Diol" BE0000794 NR3C1 P04150 GCR_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Fatty alcohols Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty alcohols OCCCCCCO 46508366 CHEMBL458616 DB02210 "Hexane-1,6-Diol" BE0003997 PLA2G1B P04054 PA21B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty alcohols Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty alcohols OCCCCCCO 46508366 CHEMBL458616 DB02215 Furoyl-Leucine BE0003872 ADAM28 Q9UKQ2 ADA28_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Leucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CC(C)C)(NC(=O)C1=CC=CO1)C(O)=O 46505590 DB02220 AL7089A BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides CN[C@H]1CN(C2=CC(OC)=CC=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O 46507064 DB02221 "4-(Aminosulfonyl)-N-[(2,4,6-Trifluorophenyl)Methyl]-Benzamide" BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-benzylbenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C=C(F)C=C1F 46505272 DB02222 "2,6-Diamino-(S)-9-[2-(Phosphonomethoxy)Propyl]Purine" BE0000250 PNP P00491 PNPH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives C[C@@H](CN1C=NC2=C1N=C(N)N=C2N)OCP([O-])([O-])=O 46506418 DB02230 Immucillin-G BE0000250 PNP P00491 PNPH_HUMAN 11752352; 10592235 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolopyrimidines Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines "Pyrimidines; Purine-Nucleoside Phosphorylase, antagonists & inhibitors" NC1=NC2=C(NC=C2[C@@H]2N[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1 46507517 DNC000791 CHEMBL473922 DB02234 S-Ethylisothiourea BE0000005 NOS2 P35228 NOS2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isothioureas Organic compounds; Organosulfur compounds; Isothioureas "Cardiovascular Agents; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Hypnotics and Sedatives; Vasoconstrictor Agents; Nitric Oxide Synthase, antagonists & inhibitors; Sulfur Compounds; Amides; Thiourea" CCSC(N)=N 46508006 CHEMBL321691 DB02235 L-methionine (R)-S-oxide BE0003392 APP P05067 A4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" C[S@@](=O)CC[C@H](N)C(O)=O 46504569 DB02236 Glycinamide Ribonucleotide BE0000882 GART P22102 PUR2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Glycinamide ribonucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Glycinamide ribonucleotides" "Amino Acids; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Amino Acids, Peptides, and Proteins" NCC(=O)NC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O 46504693 DB02249 2-Ethoxyethanol BE0000465 ADH1C P00326 ADH1G_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dialkyl ethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers Alcohols; Glycols; Solvents CCOCCO 46508195 2-Ethoxyethanol CHEMBL119596 1314365 DB02255 Ilomastat BE0003872 ADAM28 Q9UKQ2 ADA28_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acyl-alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Protease Inhibitors; Matrix Metalloproteinase Inhibitors; Heterocyclic Compounds, Fused-Ring; Amines; Enzyme Inhibitors; Hydroxy Acids; Oligopeptides; Peptides; Hydroxylamines; Amino Acids, Peptides, and Proteins" CNC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(C)C)CC(=O)NO 46506673 D03793 Ilomastat CHEMBL19611 DB02258 SR11254 BE0000144 RARG P13631 RARG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenecarboxylic acids Organic compounds; Benzenoids; Naphthalenes; Naphthalenecarboxylic acids and derivatives CC1(C)CCC(C)(C)C2=CC(=CC=C12)C(=N/O)\C1=CC=C2C=C(C=CC2=C1)C(O)=O 46504531 CHEMBL77961 DB02259 "3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide" BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)NC1=CC=C(C=C1)S(N)(=O)=O 46507470 DB02261 Platelet Activating Factor BE0005561 PTAFR P25105 PTAFR_HUMAN 11529688; 16386258 "Qian C, Hwang SB, Libertine-Garahan L, Eckman JB, Cai X, Scannell RT, Yeh CG: Anti-inflammatory activities of LDP-392, a dual PAF receptor antagonist and 5-lipoxygenase inhibitor. Pharmacol Res. 2001 Sep;44(3):213-20.@@Pegorier S, Stengel D, Durand H, Croset M, Ninio E: Oxidized phospholipid: POVPC binds to platelet-activating-factor receptor on human macrophages. Implications in atherosclerosis. Atherosclerosis. 2006 Oct;188(2):433-43. Epub 2005 Dec 28." Experimental "1-alkyl,2-acetylglycero-3-phosphocholines" Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines Quaternary Ammonium Compounds; Inflammation Mediators; Amines; Trimethyl Ammonium Compounds; P-glycoprotein inducers; Amino Alcohols; Phosphatidic Acids; Cardiovascular Agents; Alcohols; Phospholipid Ethers; P-glycoprotein substrates; Glycerophosphates; Phospholipids; Biological Factors; Onium Compounds; Lipids; Glycerophospholipids; Neurotransmitter Agents; Autacoids; Ethanolamines; Blood Coagulation Factors; Adrenergic Agents; Membrane Lipids CCCCCCCCCCCCCCCCOC[C@H](CO[P@@]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O 46508665 CHEMBL1235246 DB02261 Platelet Activating Factor BE0001432 GM2A P17900 SAP3_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental "1-alkyl,2-acetylglycero-3-phosphocholines" Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines Quaternary Ammonium Compounds; Inflammation Mediators; Amines; Trimethyl Ammonium Compounds; P-glycoprotein inducers; Amino Alcohols; Phosphatidic Acids; Cardiovascular Agents; Alcohols; Phospholipid Ethers; P-glycoprotein substrates; Glycerophosphates; Phospholipids; Biological Factors; Onium Compounds; Lipids; Glycerophospholipids; Neurotransmitter Agents; Autacoids; Ethanolamines; Blood Coagulation Factors; Adrenergic Agents; Membrane Lipids CCCCCCCCCCCCCCCCOC[C@H](CO[P@@]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O 46508665 CHEMBL1235246 DB02264 O2-Sulfo-Glucuronic Acid BE0000689 FGF1 P05230 FGF1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Glucuronic acid derivatives Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@@]1(O)O[C@@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O 46504842 DB02264 O2-Sulfo-Glucuronic Acid BE0001541 HS3ST3A1 Q9Y663 HS3SA_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Glucuronic acid derivatives Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@@]1(O)O[C@@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O 46504842 DB02266 Flufenamic acid BE0000592 AKR1C3 P42330 AK1C3_HUMAN 17016423; 14996743; 17139284; 10592235 "Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lovering AL, Ride JP, Bunce CM, Desmond JC, Cummings SM, White SA: Crystal structures of prostaglandin D(2) 11-ketoreductase (AKR1C3) in complex with the nonsteroidal anti-inflammatory drugs flufenamic acid and indomethacin. Cancer Res. 2004 Mar 1;64(5):1802-10.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Aminobenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Musculo-Skeletal System; Benzoates; Anti-Inflammatory Agents; Acids, Carbocyclic; ortho-Aminobenzoates; OAT1/SLC22A6 inhibitors; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Benzene Derivatives; Fenamates; Aminobenzoates" OC(=O)C1=CC=CC=C1NC1=CC(=CC=C1)C(F)(F)F 46507173 D01581 PA166049190 Flufenamic_acid CHEMBL23588 4453 DB02266 Flufenamic acid BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Aminobenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Musculo-Skeletal System; Benzoates; Anti-Inflammatory Agents; Acids, Carbocyclic; ortho-Aminobenzoates; OAT1/SLC22A6 inhibitors; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Benzene Derivatives; Fenamates; Aminobenzoates" OC(=O)C1=CC=CC=C1NC1=CC(=CC=C1)C(F)(F)F 46507173 D01581 PA166049190 Flufenamic_acid CHEMBL23588 4453 DB02266 Flufenamic acid BE0000071 PPARA Q07869 PPARA_HUMAN activator 9013583 "Lehmann JM, Lenhard JM, Oliver BB, Ringold GM, Kliewer SA: Peroxisome proliferator-activated receptors alpha and gamma are activated by indomethacin and other non-steroidal anti-inflammatory drugs. J Biol Chem. 1997 Feb 7;272(6):3406-10." Approved Aminobenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Musculo-Skeletal System; Benzoates; Anti-Inflammatory Agents; Acids, Carbocyclic; ortho-Aminobenzoates; OAT1/SLC22A6 inhibitors; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Benzene Derivatives; Fenamates; Aminobenzoates" OC(=O)C1=CC=CC=C1NC1=CC(=CC=C1)C(F)(F)F 46507173 D01581 PA166049190 Flufenamic_acid CHEMBL23588 4453 DB02266 Flufenamic acid BE0000215 PPARG P37231 PPARG_HUMAN agonist 9013583 "Lehmann JM, Lenhard JM, Oliver BB, Ringold GM, Kliewer SA: Peroxisome proliferator-activated receptors alpha and gamma are activated by indomethacin and other non-steroidal anti-inflammatory drugs. J Biol Chem. 1997 Feb 7;272(6):3406-10." Approved Aminobenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Musculo-Skeletal System; Benzoates; Anti-Inflammatory Agents; Acids, Carbocyclic; ortho-Aminobenzoates; OAT1/SLC22A6 inhibitors; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Benzene Derivatives; Fenamates; Aminobenzoates" OC(=O)C1=CC=CC=C1NC1=CC(=CC=C1)C(F)(F)F 46507173 D01581 PA166049190 Flufenamic_acid CHEMBL23588 4453 DB02271 S-(2-oxo)pentadecylcoa BE0003780 NMT2 O60551 NMT2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental S-alkyl-CoAs Organic compounds; Lipids and lipid-like molecules; S-alkyl-CoAs [H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)CCCCCCCCCCCCC)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1 46504583 DB02277 1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea BE0001019 MAPK14 Q16539 MK14_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-phenylureas Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas CN1N=C(C=C1NC(=O)NC1=CC=C(Cl)C=C1)C(C)(C)C 46504956 CHEMBL87277 DB02292 Irosustat BE0001197 STS P08842 STS_HUMAN inhibitor 10910045 "Purohit A, Woo LW, Potter BV, Reed MJ: In vivo inhibition of estrone sulfatase activity and growth of nitrosomethylurea-induced mammary tumors by 667 COUMATE. Cancer Res. 2000 Jul 1;60(13):3394-6." Investigational Cycloheptapyrans Organic compounds; Organoheterocyclic compounds; Cycloheptapyrans "Steryl-Sulfatase, antagonists & inhibitors; Acids; Sulfur Compounds; Sulfur Acids; Acids, Noncarboxylic" NS(=O)(=O)OC1=CC=C2C3=C(CCCCC3)C(=O)OC2=C1 46507132 Irosustat CHEMBL286738 DB02292 Irosustat BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Cycloheptapyrans Organic compounds; Organoheterocyclic compounds; Cycloheptapyrans "Steryl-Sulfatase, antagonists & inhibitors; Acids; Sulfur Compounds; Sulfur Acids; Acids, Noncarboxylic" NS(=O)(=O)OC1=CC=C2C3=C(CCCCC3)C(=O)OC2=C1 46507132 Irosustat CHEMBL286738 DB02296 Isoamyl alcohol BE0000270 REN P00797 RENI_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Primary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Lipids; Alcohols; Fatty Alcohols CC(C)CCO 46508883 Isoamyl_alcohol CHEMBL372396 DB02297 2-Amino-6-Chloropyrazine BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Aminopyrazines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines NC1=CN=CC(Cl)=N1 46505223 CHEMBL191632 DB02300 Calcipotriol BE0000779 VDR P11473 VDR_HUMAN antagonist 17139284; 17016423; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives Cholestanes; Fused-Ring Compounds; Antipsoriatics for Topical Use; Sterols; Vitamins; Vitamins (Fat Soluble); Vitamin D and Analogues; Lipids; Antipsoriatics; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Cholestenes; Steroids; Membrane Lipids; Secosteroids O[C@H](\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C1CC1 894 46507122 D01125 PA448714 DAP000292 Calcipotriol CHEMBL1200666 29365 DB02303 "(5S)-5-Iododihydro-2,4(1H,3H)-pyrimidinedione" BE0000960 DPYD Q12882 DPYD_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H]N1C[C@H](I)C(=O)N([H])C1=O 46505684 DB02306 Palmitoyl-Linoleoyl Phosphatidylcholine BE0000935 PCTP Q9UKL6 PPCT_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phosphatidylcholines Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC 46507296 DB02309 5-monophosphate-9-beta-D-ribofuranosyl xanthine BE0001240 ATIC P31939 PUR9_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)[N+]1=CNC2=C1NC(=O)NC2=O 46504859 DB02309 5-monophosphate-9-beta-D-ribofuranosyl xanthine BE0000077 HPRT1 P00492 HPRT_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)[N+]1=CNC2=C1NC(=O)NC2=O 46504859 DB02310 "3,5,6,8-Tetramethyl-N-Methyl Phenanthrolinium" BE0001534 METAP2 P50579 MAP2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phenanthrolines Organic compounds; Organoheterocyclic compounds; Phenanthrolines CC1=CN=C2C(=C1)C(C)=C(C)C1=C2[N+](C)=CC(C)=C1 46508662 DB02311 Methyl Methylsulfinylmethyl Sulfide BE0000695 FKBP1A P62942 FKB1A_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfoxides Organic compounds; Organosulfur compounds; Sulfoxides CSC[S@](C)=O 46507571 DB02315 Cyclic GMP BE0002085 PDE2A O00408 PDE2A_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "3',5'-cyclic purine nucleotides" "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides" "Nucleotides, Cyclic; Heterocyclic Compounds, Fused-Ring; Purines; Purine Nucleotides; Ribonucleotides; Guanine Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)C(=O)N1 46508914 Cyclic_guanosine_monophosphate CHEMBL395336 DB02315 Cyclic GMP BE0003425 PRKAR1A P10644 KAP0_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "3',5'-cyclic purine nucleotides" "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides" "Nucleotides, Cyclic; Heterocyclic Compounds, Fused-Ring; Purines; Purine Nucleotides; Ribonucleotides; Guanine Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)C(=O)N1 46508914 Cyclic_guanosine_monophosphate CHEMBL395336 DB02318 2-deoxy-2-fluoro-alpha-D-mannosyl fluoride BE0003505 MAN2A1 Q16706 MA2A1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)OC([H])(F)[C@@]1([H])F 46508173 DB02326 1-Hydroxyamine-2-Isobutylmalonic Acid BE0001182 MMP8 P22894 MMP8_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Methyl-branched fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates CC(C)C[C@@H](C(O)=O)C(=O)NO 46505892 DB02328 2-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Imino]-5-Phosphono-Pent-3-Enoic Acid BE0000791 CTH P32929 CGL_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyridoxamine 5'-phosphates Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines [H]\C(CP(O)(O)=O)=C(\[H])/C(=N\CC1=C(COP(O)(O)=O)C=NC(C)=C1O)/C(O)=O 46505752 DB02329 Carbenoxolone BE0000329 HSD11B1 P28845 DHI1_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Triterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Anti-Ulcer Agents; Pentacyclic Triterpenes; Triterpenes; Drugs for Acid Related Disorders; Gastrointestinal Agents; Alimentary Tract and Metabolism; Terpenes [H][C@@]1(CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C(=O)C=C2[C@]4([H])C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C)OC(=O)CCC(O)=O 46508820 DNC000388 Carbenoxolone CHEMBL499915 2017 DB02336 RU83876 BE0000838 SRC P12931 SRC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CC(=O)N[C@@H](CC1=CC(=C(C=C1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O 46506528 CHEMBL319516 DB02338 NADPH BE0001979 TXNRD1 Q16881 TRXR1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46508520 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL407009 DB02338 NADPH BE0000960 DPYD Q12882 DPYD_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46508520 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL407009 DB02338 NADPH BE0000073 AASS Q9UDR5 AASS_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46508520 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL407009 DB02340 N-Acetyl-Serine BE0000004 F13A1 P00488 F13A_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental N-acyl-L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CC(=O)N[C@@H](CO)C(O)=O 46504512 DB02342 2-Methoxyestradiol BE0002089 COMT P21964 COMT_HUMAN 1170911 "Parvez S, Parvez SH, Youdim MB: Variation in activity of monoamine metabolizing enzymes in rat liver during pregnancy. Br J Pharmacol. 1975 Feb;53(2):241-6." Investigational "Fused-Ring Compounds; Mitosis Modulators; Steroids; Tubulin Modulators; Gonadal Steroid Hormones; Antimitotic Agents; Gonadal Hormones; Estranes; Hormones; Estradiol Congeners; Antineoplastic Agents; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3 175426854 PA13496724 2-Methoxyestradiol CHEMBL299613 DB02342 2-Methoxyestradiol BE0002090 CYP19A1 P11511 CP19A_HUMAN 10405348 "Purohit A, Singh A, Ghilchik MW, Reed MJ: Inhibition of tumor necrosis factor alpha-stimulated aromatase activity by microtubule-stabilizing agents, paclitaxel and 2-methoxyestradiol. Biochem Biophys Res Commun. 1999 Jul 22;261(1):214-7." Investigational "Fused-Ring Compounds; Mitosis Modulators; Steroids; Tubulin Modulators; Gonadal Steroid Hormones; Antimitotic Agents; Gonadal Hormones; Estranes; Hormones; Estradiol Congeners; Antineoplastic Agents; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3 175426854 PA13496724 2-Methoxyestradiol CHEMBL299613 DB02342 2-Methoxyestradiol BE0002374 HIF1A Q16665 HIF1A_HUMAN 17716391; 17498737 "Zhou D, Matchett GA, Jadhav V, Dach N, Zhang JH: The effect of 2-methoxyestradiol, a HIF-1 alpha inhibitor, in global cerebral ischemia in rats. Neurol Res. 2008 Apr;30(3):268-71. Epub 2007 Aug 22.@@Dai Y, Xu M, Wang Y, Pasha Z, Li T, Ashraf M: HIF-1alpha induced-VEGF overexpression in bone marrow stem cells protects cardiomyocytes against ischemia. J Mol Cell Cardiol. 2007 Jun;42(6):1036-44. Epub 2007 Apr 6." Investigational "Fused-Ring Compounds; Mitosis Modulators; Steroids; Tubulin Modulators; Gonadal Steroid Hormones; Antimitotic Agents; Gonadal Hormones; Estranes; Hormones; Estradiol Congeners; Antineoplastic Agents; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3 175426854 PA13496724 2-Methoxyestradiol CHEMBL299613 DB02347 2-Amino-3-(5-Tert-Butyl-3-(Phosphonomethoxy)-4-Isoxazolyl)Propionic Acid BE0000829 GRIA2 P42262 GRIA2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Receptors, AMPA, antagonists & inhibitors; Organophosphorus Compounds" CC(C)(C)C1=C(C[C@H](N)C(O)=O)C(OCP(O)(O)=O)=NO1 46507382 CHEMBL594840 DB02352 3-(Benzyloxy)Pyridin-2-Amine BE0001680 LTA4H P09960 LKHA4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminopyridines and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives NC1=NC=CC=C1OCC1=CC=CC=C1 46508486 CHEMBL194009 DB02352 3-(Benzyloxy)Pyridin-2-Amine BE0001019 MAPK14 Q16539 MK14_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminopyridines and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives NC1=NC=CC=C1OCC1=CC=CC=C1 46508486 CHEMBL194009 DB02358 LY374571 BE0000617 MTHFD1 P11586 C1TC_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H]N([H])C1=NC(=O)C(N([H])[H])=C(N([H])C(=O)N([H])C2=CC=C(C=C2)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)N1[H] 46505256 DB02359 "9-Butyl-8-(2,5-Dimethoxy-Benzyl)-9h-Purin-6-Ylamine" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives CCCCN1C(CC2=CC(OC)=CC=C2OC)=NC2=C(N)N=CN=C12 46507270 CHEMBL113194 DB02371 "2-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Ethanesulfonic Acid" BE0001529 C1S P09871 C1S_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Organosulfonic acids Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives OCC(CO)(CO)NCCS(O)(=O)=O 46506869 DB02373 Adenosine monotungstate BE0001687 FHIT P49789 FHIT_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" [H]N([H])C1=NC=NC2=C1N=CN2[C@]1([H])O[C@@]([H])(CO[W](O)(O)=O)[C@]([H])(O)[C@@]1([H])O 46508688 DB02375 Myricetin BE0004145 JAK1 P23458 JAK1_HUMAN 18995957 "Kumamoto T, Fujii M, Hou DX: Myricetin directly targets JAK1 to inhibit cell transformation. Cancer Lett. 2009 Mar 8;275(1):17-26. doi: 10.1016/j.canlet.2008.09.027. Epub 2008 Nov 7." Experimental Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans" OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1 46508126 Myricetin CHEMBL164 1368374 DB02375 Myricetin BE0001315 PIK3CG P48736 PK3CG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans" OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1 46508126 Myricetin CHEMBL164 1368374 DB02376 "D-gluconhydroximo-1,5-lactam" BE0004338 LCT P09848 LPH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tetrahydropyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines [H][C@]1(O)C(NO)=N[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O 46507942 CHEMBL1213470 DB02377 Guanine BE0000250 PNP P00491 PNPH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purines and purine derivatives Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Heterocyclic Compounds, Fused-Ring; Purinones; Xanthine derivatives" NC1=NC(=O)C2=C(N1)N=CN2 Gout or Kelley-Seegmiller Syndrome; Purine Metabolism; Lesch-Nyhan Syndrome (LNS); Myoadenylate Deaminase Deficiency; Molybdenum Cofactor Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Thioguanine Action Pathway; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Purine Nucleoside Phosphorylase Deficiency; Adenylosuccinate Lyase Deficiency; Xanthinuria Type II disease; metabolic; drug_action 46507057 DNC000709 Guanine CHEMBL219568 1372539 DB02377 Guanine BE0001055 GCH1 P30793 GCH1_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Purines and purine derivatives Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Heterocyclic Compounds, Fused-Ring; Purinones; Xanthine derivatives" NC1=NC(=O)C2=C(N1)N=CN2 Gout or Kelley-Seegmiller Syndrome; Purine Metabolism; Lesch-Nyhan Syndrome (LNS); Myoadenylate Deaminase Deficiency; Molybdenum Cofactor Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Thioguanine Action Pathway; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Purine Nucleoside Phosphorylase Deficiency; Adenylosuccinate Lyase Deficiency; Xanthinuria Type II disease; metabolic; drug_action 46507057 DNC000709 Guanine CHEMBL219568 1372539 DB02379 Beta-D-Glucose BE0004111 LCTL Q6UWM7 LCTL_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Glucosides; Glycosides; Carbohydrates; Hexoses; Monosaccharides OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 46505414 D00009 CHEMBL1614854 1442190 DB02379 Beta-D-Glucose BE0004467 MB P02144 MYG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Glucosides; Glycosides; Carbohydrates; Hexoses; Monosaccharides OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 46505414 D00009 CHEMBL1614854 1442190 DB02379 Beta-D-Glucose BE0001108 HK1 P19367 HXK1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Glucosides; Glycosides; Carbohydrates; Hexoses; Monosaccharides OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 46505414 D00009 CHEMBL1614854 1442190 DB02379 Beta-D-Glucose BE0001107 SFTPD P35247 SFTPD_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Glucosides; Glycosides; Carbohydrates; Hexoses; Monosaccharides OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 46505414 D00009 CHEMBL1614854 1442190 DB02379 Beta-D-Glucose BE0001567 GNPDA1 P46926 GNPI1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Glucosides; Glycosides; Carbohydrates; Hexoses; Monosaccharides OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 46505414 D00009 CHEMBL1614854 1442190 DB02379 Beta-D-Glucose BE0004581 SMARCA5 O60264 SMCA5_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Glucosides; Glycosides; Carbohydrates; Hexoses; Monosaccharides OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 46505414 D00009 CHEMBL1614854 1442190 DB02379 Beta-D-Glucose BE0004592 SIGLEC1 Q9BZZ2 SN_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Glucosides; Glycosides; Carbohydrates; Hexoses; Monosaccharides OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 46505414 D00009 CHEMBL1614854 1442190 DB02381 nor-NOHA BE0000286 ARG1 P05089 ARGI1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CCNC(=N)NO)C(O)=O 46505343 CHEMBL1234777 DB02383 Tolrestat BE0004352 AKR1A1 P14550 AK1A1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Withdrawn Naphthalenes Organic compounds; Benzenoids; Naphthalenes "Drugs Used in Diabetes; Enzyme Inhibitors; Aldehyde Reductase, antagonists & inhibitors; Aldose Reductase Inhibitors; Alimentary Tract and Metabolism" COC1=C(C2=CC=CC(C(=S)N(C)CC(O)=O)=C2C=C1)C(F)(F)F 46508274 D02323 DNC001455 Tolrestat CHEMBL436 38386 DB02388 "Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine" BE0001097 MAPK10 P53779 MK10_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles CCCN1C(=NC(=C1C1=CC=NC(NC2CCCCC2)=N1)C1=CC=C(Cl)C(Cl)=C1)C1CCNCC1 46504625 CHEMBL437747 DB02391 "2-Amino-7-[2-(2-Hydroxy-1-Hydroxymethyl-Ethylamino)-Ethyl]-1,7-Dihydro-Purin-6-One" BE0000250 PNP P00491 PNPH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives NC1=NC2=C(N(CCNC(CO)CO)C=N2)C(=O)N1 46505395 DB02395 "3-Hydroxymethyl-5-Aziridinyl-1methyl-2-[1h-Indole-4,7-Dione]-Propanol" BE0001184 NQO1 P15559 NQO1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Indoles and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives CN1C(CCCO)=C(CO)C2=C1C(=O)C=C(N1CC1)C2=O 46507066 DB02396 Methylethylamine BE0004467 MB P02144 MYG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dialkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines CCNC 46507472 Ethylmethylamine CHEMBL1232589 DB02400 ES-936 BE0001184 NQO1 P15559 NQO1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Nitrophenyl ethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes COC1=CC(=O)C2=C(C(COC3=CC=C(C=C3)[N+]([O-])=O)=C(C)N2C)C1=O 46505516 CHEMBL357217 DB02401 "4-Hydroxy-1,2,5-oxadiazole-3-carboxylic acid" BE0000068 LDHB P07195 LDHB_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Furazans Organic compounds; Organoheterocyclic compounds; Azoles; Oxadiazoles Oxazoles OC(=O)C1=NON=C1O 46505730 DB02407 6-O-Cyclohexylmethyl Guanine BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives NC1=NC(OCC2CCCCC2)=C2N=CNC2=N1 46508467 CHEMBL269881 DB02407 6-O-Cyclohexylmethyl Guanine BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives NC1=NC(OCC2CCCCC2)=C2N=CNC2=N1 46508467 CHEMBL269881 DB02418 "(R,R)-2,3-Butanediol" BE0004530 UBE2D2 P62837 UB2D2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,2-diols" Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols C[C@@H](O)[C@H](C)O 46506166 DB02419 Ethyl Oxo(Piperidin-1-Yl)Acetate BE0001014 PPIA P62937 PPIA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CCOC(=O)C(=O)N1CCCCC1 46506075 DB02420 "[[4-(Aminomethyl)Phenyl]Amino]Oxo-Acetic Acid," BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" NCC1=CC=C(NC(=O)C(O)=O)C=C1 46506318 CHEMBL426815 DB02422 Methyl-2-S-(Alpha-D-Mannopyranosyl)-2-Thio-Alpha-D-Mannopyranoside BE0001414 MAN1B1 Q9UKM7 MA1B1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Thioglycosides Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@]1(CO)O[C@]([H])(OC)[C@@]([H])(S[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O)[C@@]([H])(O)[C@]1([H])O 46505420 DB02424 Geldanamycin BE0001165 HSP90B1 P14625 ENPL_HUMAN inhibitor 9295332; 12729599 "Grenert JP, Sullivan WP, Fadden P, Haystead TA, Clark J, Mimnaugh E, Krutzsch H, Ochel HJ, Schulte TW, Sausville E, Neckers LM, Toft DO: The amino-terminal domain of heat shock protein 90 (hsp90) that binds geldanamycin is an ATP/ADP switch domain that regulates hsp90 conformation. J Biol Chem. 1997 Sep 19;272(38):23843-50.@@Carreras CW, Schirmer A, Zhong Z, Santi DV: Filter binding assay for the geldanamycin-heat shock protein 90 interaction. Anal Biochem. 2003 Jun 1;317(1):40-6." Experimental; Investigational Macrolactams Organic compounds; Phenylpropanoids and polyketides; Macrolactams "Protease Inhibitors; Quinones; Anti-Infective Agents; Lactams; Enzyme Inhibitors; Antibiotics, Antineoplastic; Amides; Tyrosine Kinase Inhibitors; Cysteine Proteinase Inhibitors; Antineoplastic Agents" CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O 46505674 PA152031327 DCL000325 Geldanamycin CHEMBL278315 DB02424 Geldanamycin BE0001120 HSP90AA1 P07900 HS90A_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental; Investigational Macrolactams Organic compounds; Phenylpropanoids and polyketides; Macrolactams "Protease Inhibitors; Quinones; Anti-Infective Agents; Lactams; Enzyme Inhibitors; Antibiotics, Antineoplastic; Amides; Tyrosine Kinase Inhibitors; Cysteine Proteinase Inhibitors; Antineoplastic Agents" CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O 46505674 PA152031327 DCL000325 Geldanamycin CHEMBL278315 DB02424 Geldanamycin BE0001898 HSP90AB1 P08238 HS90B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Macrolactams Organic compounds; Phenylpropanoids and polyketides; Macrolactams "Protease Inhibitors; Quinones; Anti-Infective Agents; Lactams; Enzyme Inhibitors; Antibiotics, Antineoplastic; Amides; Tyrosine Kinase Inhibitors; Cysteine Proteinase Inhibitors; Antineoplastic Agents" CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O 46505674 PA152031327 DCL000325 Geldanamycin CHEMBL278315 DB02427 "2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline" BE0000330 DHFR P00374 DYR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines COC1=CC(CN(C)C2=CC=C3N=C(N)N=C(N)C3=C2)=C(OC)C=C1 46507703 CHEMBL325434 DB02429 4-(Aminosulfonyl)-N-[(4-Fluorophenyl)Methyl]-Benzamide BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-benzylbenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=C(F)C=C1 46504700 DB02431 Cytidine-5'-Triphosphate BE0001480 UCK2 Q9BZX2 UCK2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Pentose phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Josamycin Action Pathway; Gentamicin Action Pathway; Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Tay-Sachs Disease; Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Clarithromycin Action Pathway; Salla Disease/Infantile Sialic Acid Storage Disease; Troleandomycin Action Pathway; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Pyrimidine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Oxytetracycline Action Pathway; Tetracycline Action Pathway; Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Sialuria or French Type Sialuria; Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Roxithromycin Action Pathway; Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z)); Arbekacin Action Pathway" disease; metabolic; drug_action 46507556 CHEMBL223533 DB02432 RU90395 BE0000838 SRC P12931 SRC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" COC(=O)C1=C(C=CC(C[C@H](NC(C)=O)C(=O)N[C@H]2CCCCN(CC3=CC=C(C=C3)C3=CC=CC=C3)C2=O)=C1)C(F)(C(O)=O)C(O)=O 46506689 CHEMBL357488 DB02436 {4-[(2S)-2-({[(1S)-1-Carboxy-2-phenylethyl]carbamoyl}amino)-3-oxo-3-(pentylamino)propyl]phenoxy}malonic acid BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CCCCCNC(=O)[C@H](CC1=CC=C(OC(C(O)=O)C(O)=O)C=C1)NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O 46506177 DB02445 2-Deoxy-2-Amino Glucitol-6-Phosphate BE0001567 GNPDA1 P46926 GNPI1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Monosaccharide phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@](N)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O 46505743 CHEMBL396380 DB02448 N-Tridecanoic Acid BE0003997 PLA2G1B P04054 PA21B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates CCCCCCCCCCCCC(O)=O 46505422 CHEMBL107874 DB02451 B-nonylglucoside BE0001028 KCNJ3 P48549 KCNJ3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty acyl glycosides of mono- and disaccharides Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 46508456 CHEMBL490225 DB02452 Thymidine 5'-triphosphate BE0001260 TK1 P04183 KITH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Pyrimidine 2'-deoxyribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides" "Pyrimidine Nucleotides; Deoxyribonucleotides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O 46508083 Deoxythymidine_Triphosphate CHEMBL363559 DB02452 Thymidine 5'-triphosphate BE0004639 TK2 O00142 KITM_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrimidine 2'-deoxyribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides" "Pyrimidine Nucleotides; Deoxyribonucleotides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O 46508083 Deoxythymidine_Triphosphate CHEMBL363559 DB02462 Thiocoumarin BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thiochromenes Organic compounds; Organoheterocyclic compounds; Thiochromenes CN(C)CCCOC1=CC(=O)SC2=CC=CC=C12 46508183 DB02465 Methoxy arachidonyl fluorophosphonate BE0002194 FAAH O00519 FAAH1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phosphonic acid esters Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Phosphonic acid esters "Phospholipases A, antagonists & inhibitors; Fatty Acids, Essential; Enzyme Inhibitors; Organophosphorus Compounds; Lipids; Fatty Acids; Eicosanoids; Fatty Acids, Unsaturated" [H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC[P@](F)(=O)OC 46504573 Methoxy_arachidonyl_fluorophosphonate DB02466 BMS-181156 BE0000144 RARG P13631 RARG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Retrochalcones "Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones" CC1(C)CCC(C)(C)C2=CC(=CC=C12)C(=O)\C=C\C1=CC=C(C=C1)C(O)=O 46505888 CHEMBL95700 DB02467 L-methionine (S)-S-oxide BE0004533 RAB5A P20339 RAB5A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H]C([H])([H])[S@](=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H] 46508428 DB02471 Nojirimycine Tetrazole BE0004111 LCTL Q6UWM7 LCTL_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tetrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Tetrazoles [H][C@]1(O)C2=NN=NN2[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O 46506623 DB02471 Nojirimycine Tetrazole BE0004338 LCT P09848 LPH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tetrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Tetrazoles [H][C@]1(O)C2=NN=NN2[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O 46506623 DB02472 "7,8-dihydroinosine" BE0002214 ADA P00813 ADA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" [H]N1CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2[H] 46505878 DB02479 (R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides [H]N([H])S(=O)(=O)C1=CC=C(C=C1)C(=O)N([H])C[C@@H](C)CN1C=CC2=CC=CC=C12 46508474 DB02482 Phosphonothreonine BE0001385 PRKCQ Q04759 KPCT_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental D-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" C[C@H](OP(O)(O)=O)[C@@H](N)C(O)=O 46506053 DB02482 Phosphonothreonine BE0000991 AURKA O14965 AURKA_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental D-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" C[C@H](OP(O)(O)=O)[C@@H](N)C(O)=O 46506053 DB02482 Phosphonothreonine BE0000923 MAPK1 P28482 MK01_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental D-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" C[C@H](OP(O)(O)=O)[C@@H](N)C(O)=O 46506053 DB02482 Phosphonothreonine BE0003761 PRKACA P17612 KAPCA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental D-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" C[C@H](OP(O)(O)=O)[C@@H](N)C(O)=O 46506053 DB02482 Phosphonothreonine BE0004475 PRKACB P22694 KAPCB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental D-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" C[C@H](OP(O)(O)=O)[C@@H](N)C(O)=O 46506053 DB02482 Phosphonothreonine BE0001913 CDK7 P50613 CDK7_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental D-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" C[C@H](OP(O)(O)=O)[C@@H](N)C(O)=O 46506053 DB02482 Phosphonothreonine BE0002790 MAPK12 P53778 MK12_HUMAN Experimental D-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" C[C@H](OP(O)(O)=O)[C@@H](N)C(O)=O 46506053 DB02485 Cytidine-5'-Monophosphate-5-N-Acetylneuraminic Acid BE0004564 CMAS Q8NFW8 NEUA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrimidine nucleotide sugars "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars" [H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)C(O)=O)[C@H](O)[C@H](O)CO 46504831 CHEMBL1234647 DB02491 4-[4-(1-Amino-1-Methylethyl)Phenyl]-5-Chloro-N-[4-(2-Morpholin-4-Ylethyl)Phenyl]Pyrimidin-2-Amine BE0000748 FGFR2 P21802 FGFR2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives CC(C)(N)C1=CC=C(C=C1)C1=NC(NC2=CC=C(CCN3CCOCC3)C=C2)=NC=C1Cl 46505042 CHEMBL233209 DB02492 Ghavamiol BE0003505 MAN2A1 Q16706 MA2A1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-alkylpyrrolidines Organic compounds; Organoheterocyclic compounds; Pyrrolidines; N-alkylpyrrolidines "Nitrogen Compounds; Pentoses; Sugar Alcohols; Pyrrolidines; Onium Compounds; Amines; Carbohydrates; Imines; Alcohols; Ammonium Compounds; Monosaccharides; Glycoside Hydrolases, antagonists & inhibitors; Imino Sugars" [H][C@@](O)(CN1C[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])CO)C([H])(CO)OS([O-])([O-])[O-] 46507384 DB02494 (S)-3-phenyllactic acid BE0003824 RPL13A P40429 RL13A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids O[C@@H](CC1=CC=CC=C1)C(O)=O 46509007 DB02494 (S)-3-phenyllactic acid BE0003835 SNU13 P55769 NH2L1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids O[C@@H](CC1=CC=CC=C1)C(O)=O 46509007 DB02498 Carba-nicotinamide-adenine-dinucleotide BE0001717 PARP1 P09874 PARP1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H]N([H])C(=O)C1=C[N+](=CC=C1)[C@@H]1C[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](O)[C@H]1O 46507626 DB02499 Dinor-N(Omega)-Hydroxy-L-Arginine BE0000286 ARG1 P05089 ARGI1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](C\N=C(/N)NO)C(O)=O 46506971 DB02506 "2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid" BE0003810 PPP1CA P62136 PP1A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Beta amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](C)(CC[C@]([H])(N)[C@]([H])(C)C(O)=O)C[C@]([H])(C)[C@]([H])(CC1=CC=CC=C1)OC 46508526 DB02506 "2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid" BE0003750 PPP2R1A P30153 2AAA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Beta amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](C)(CC[C@]([H])(N)[C@]([H])(C)C(O)=O)C[C@]([H])(C)[C@]([H])(CC1=CC=CC=C1)OC 46508526 DB02506 "2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid" BE0002326 PPP2CA P67775 PP2AA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Beta amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](C)(CC[C@]([H])(N)[C@]([H])(C)C(O)=O)C[C@]([H])(C)[C@]([H])(CC1=CC=CC=C1)OC 46508526 DB02506 "2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid" BE0003749 PPP2R5C Q13362 2A5G_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Beta amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](C)(CC[C@]([H])(N)[C@]([H])(C)C(O)=O)C[C@]([H])(C)[C@]([H])(CC1=CC=CC=C1)OC 46508526 DB02506 "2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid" BE0003811 PPP2R2A P63151 2ABA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Beta amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](C)(CC[C@]([H])(N)[C@]([H])(C)C(O)=O)C[C@]([H])(C)[C@]([H])(CC1=CC=CC=C1)OC 46508526 DB02508 Isopentyl Pyrophosphate BE0000776 FDPS P14324 FPPS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Organic pyrophosphates Organic compounds; Organic oxygen compounds; Organic oxoanionic compounds; Organic pyrophosphates CC(C)CCO[P@](O)(=O)OP(O)(O)=O 46509078 DB02509 Farnesol BE0001777 NR1H4 Q96RI1 NR1H4_HUMAN agonist 15491415 "Downie MM, Sanders DA, Maier LM, Stock DM, Kealey T: Peroxisome proliferator-activated receptor and farnesoid X receptor ligands differentially regulate sebaceous differentiation in human sebaceous gland organ cultures in vitro. Br J Dermatol. 2004 Oct;151(4):766-75." Experimental Sesquiterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids Fatty Alcohols; Sesquiterpenes; Lipids; Alcohols; Terpenes CC(C)=CCC\C(C)=C/CC\C(C)=C/CO 46508260 Farnesol 1362903 DB02510 5'-O-(L-Prolylsulfamoyl)adenosine BE0000188 EPRS P07814 SYEP_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" [H]N([H])C1=C2N=CN([C@@H]3O[C@H](COS(=O)(=O)N([H])C(=O)[C@@H]4CCCN4[H])[C@@H](O)[C@H]3O)C2=NC=N1 46506105 CHEMBL1163086 DB02512 "1,6-Fructose Diphosphate (Linear Form)" BE0004565 ALDOB P05062 ALDOB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hexose phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)C(=O)COP(O)(O)=O 46507105 CHEMBL1235115 DB02515 sn-glycerol 3-phosphate BE0004565 ALDOB P05062 ALDOB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Glycerophosphates Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates OC[C@@H](O)COP(O)(O)=O "De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:1(9Z)); De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:0/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(18:0/20:1(11Z)/20:1(11Z)); Glycerol Phosphate Shuttle; De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/20:0/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/16:0/16:0); De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/20:0/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/18:1(9Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:1(9Z)/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(18:0/18:0/18:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:0/20:0); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/18:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:1(11Z)/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/20:0); De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/18:1(9Z)/18:1(9Z)); De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/20:1(11Z)/20:1(11Z)); Glycerol Kinase Deficiency; De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/18:1(9Z)/20:1(11Z))" disease; metabolic 46508424 Glycerol_3-phosphate CHEMBL1232920 DB02527 Cyclic adenosine monophosphate BE0003425 PRKAR1A P10644 KAP0_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "3',5'-cyclic purine nucleotides" "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides" "Nucleotides, Cyclic; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; OAT3/SLC22A8 Substrates; Purine Nucleotides; Purines; Ribonucleotides; Cyclic AMP; OAT1/SLC22A6 Substrates; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC1=C2N=CN([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)C2=NC=N1 Molybdenum Cofactor Deficiency; Excitatory Neural Signalling Through 5-HTR 6 and Serotonin; Intracellular Signalling Through FSH Receptor and Follicle Stimulating Hormone; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Lysophosphatidic Acid LPA5 Signalling; Excitatory Neural Signalling Through 5-HTR 7 and Serotonin; Purine Nucleoside Phosphorylase Deficiency; Lysophosphatidic Acid LPA6 Signalling; Excitatory Neural Signalling Through 5-HTR 4 and Serotonin; Vasopressin Regulation of Water Homeostasis; Corticotropin Activation of Cortisol Production; Thioguanine Action Pathway; Intracellular Signalling Through Histamine H2 Receptor and Histamine; Xanthine Dehydrogenase Deficiency (Xanthinuria); Intracellular Signalling Through PGD2 receptor and Prostaglandin D2; Intracellular Signalling Through Adenosine Receptor A2b and Adenosine; Purine Metabolism; Intracellular Signalling Through Adenosine Receptor A2a and Adenosine; Lysophosphatidic Acid LPA1 Signalling; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Lysophosphatidic Acid LPA4 Signalling; Xanthinuria Type II; Myoadenylate Deaminase Deficiency; Lysophosphatidic Acid LPA2 Signalling; Intracellular Signalling Through Prostacyclin Receptor and Prostacyclin; Dopamine Activation of Neurological Reward System; Adenylosuccinate Lyase Deficiency signaling; disease; metabolic; drug_action 46508991 Cyclic_adenosine_monophosphate CHEMBL316966 1314330 DB02527 Cyclic adenosine monophosphate BE0004497 PRKAR2B P31323 KAP3_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "3',5'-cyclic purine nucleotides" "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides" "Nucleotides, Cyclic; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; OAT3/SLC22A8 Substrates; Purine Nucleotides; Purines; Ribonucleotides; Cyclic AMP; OAT1/SLC22A6 Substrates; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC1=C2N=CN([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)C2=NC=N1 Molybdenum Cofactor Deficiency; Excitatory Neural Signalling Through 5-HTR 6 and Serotonin; Intracellular Signalling Through FSH Receptor and Follicle Stimulating Hormone; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Lysophosphatidic Acid LPA5 Signalling; Excitatory Neural Signalling Through 5-HTR 7 and Serotonin; Purine Nucleoside Phosphorylase Deficiency; Lysophosphatidic Acid LPA6 Signalling; Excitatory Neural Signalling Through 5-HTR 4 and Serotonin; Vasopressin Regulation of Water Homeostasis; Corticotropin Activation of Cortisol Production; Thioguanine Action Pathway; Intracellular Signalling Through Histamine H2 Receptor and Histamine; Xanthine Dehydrogenase Deficiency (Xanthinuria); Intracellular Signalling Through PGD2 receptor and Prostaglandin D2; Intracellular Signalling Through Adenosine Receptor A2b and Adenosine; Purine Metabolism; Intracellular Signalling Through Adenosine Receptor A2a and Adenosine; Lysophosphatidic Acid LPA1 Signalling; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Lysophosphatidic Acid LPA4 Signalling; Xanthinuria Type II; Myoadenylate Deaminase Deficiency; Lysophosphatidic Acid LPA2 Signalling; Intracellular Signalling Through Prostacyclin Receptor and Prostacyclin; Dopamine Activation of Neurological Reward System; Adenylosuccinate Lyase Deficiency signaling; disease; metabolic; drug_action 46508991 Cyclic_adenosine_monophosphate CHEMBL316966 1314330 DB02528 Tetrazolyl Histidine BE0004467 MB P02144 MYG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines [H][C@](N)(CC1=CN(C=N1)C1=NNN=N1)C=O 46505135 DB02530 gamma-Aminobutyric acid BE0002340 GABBR2 O75899 GABR2_HUMAN 15627515 "Olianas MC, Ambu R, Garau L, Onali P: Allosteric modulation of GABA(B) receptor function in human frontal cortex. Neurochem Int. 2005 Jan;46(2):149-58." Approved; Investigational Gamma amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; GABA Agents; Aminobutyrates; Neurotransmitter Agents; Acids, Acyclic; Amino Acids, Peptides, and Proteins; Butyrates" NCCCC(O)=O 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Homocarnosinosis; Glutamate Metabolism; 2-Hydroxyglutric Aciduria (D and L Form); Hyperinsulinism-Hyperammonemia Syndrome disease; metabolic 46507841 D00058 Gamma-Aminobutyric_acid CHEMBL96 4617 DB02535 Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NCCOCCOCCNC(=O)C1=CC=C(C=C1)S(N)(=O)=O 46505568 DB02538 "N-[4-(2-Methylimidazo[1,2-a]Pyridin-3-Yl)-2-Pyrimidinyl]Acetamide" BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Imidazopyridines Organic compounds; Organoheterocyclic compounds; Imidazopyridines CC(=O)NC1=NC(=CC=N1)C1=C(C)N=C2C=CC=CN12 46508432 CHEMBL99842 DB02545 Fexaramine BE0001777 NR1H4 Q96RI1 NR1H4_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives COC(=O)\C=C\C1=CC(=CC=C1)N(CC1=CC=C(C=C1)C1=CC=C(C=C1)N(C)C)C(=O)C1CCCCC1 46505254 Fexaramine CHEMBL192966 DB02546 Vorinostat BE0002365 HDAC1 Q13547 HDAC1_HUMAN inhibitor 17694093; 11752352 "Xu WS, Parmigiani RB, Marks PA: Histone deacetylase inhibitors: molecular mechanisms of action. Oncogene. 2007 Aug 13;26(37):5541-52.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives Myelosuppressive Agents; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Hyperglycemia-Associated Agents; Hydroxylamines; Amides; Histone deacetylase (HDAC) inhibitors; Histone Deacetylase Inhibitors; Hydroxy Acids; Antineoplastic Agents; Potential QTc-Prolonging Agents; Anilides; Aniline Compounds; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Narrow Therapeutic Index Drugs; Hydroxamic Acids ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1 20475 46508989 D06320 PA164748224 DAP001082 Vorinostat CHEMBL98 194337 DB02546 Vorinostat BE0002366 HDAC2 Q92769 HDAC2_HUMAN inhibitor 17694093 "Xu WS, Parmigiani RB, Marks PA: Histone deacetylase inhibitors: molecular mechanisms of action. Oncogene. 2007 Aug 13;26(37):5541-52." Approved; Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives Myelosuppressive Agents; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Hyperglycemia-Associated Agents; Hydroxylamines; Amides; Histone deacetylase (HDAC) inhibitors; Histone Deacetylase Inhibitors; Hydroxy Acids; Antineoplastic Agents; Potential QTc-Prolonging Agents; Anilides; Aniline Compounds; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Narrow Therapeutic Index Drugs; Hydroxamic Acids ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1 20475 46508989 D06320 PA164748224 DAP001082 Vorinostat CHEMBL98 194337 DB02546 Vorinostat BE0001608 HDAC8 Q9BY41 HDAC8_HUMAN Approved; Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives Myelosuppressive Agents; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Hyperglycemia-Associated Agents; Hydroxylamines; Amides; Histone deacetylase (HDAC) inhibitors; Histone Deacetylase Inhibitors; Hydroxy Acids; Antineoplastic Agents; Potential QTc-Prolonging Agents; Anilides; Aniline Compounds; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Narrow Therapeutic Index Drugs; Hydroxamic Acids ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1 20475 46508989 D06320 PA164748224 DAP001082 Vorinostat CHEMBL98 194337 DB02546 Vorinostat BE0008667 HDAC1 Q9UKV0 HDAC9_HUMAN inhibitor 26876786; 26855567; 16391874; 12678732; 34443600; 28812060 "Wang ZT, Chen ZJ, Jiang GM, Wu YM, Liu T, Yi YM, Zeng J, Du J, Wang HS: Histone deacetylase inhibitors suppress mutant p53 transcription via HDAC8/YY1 signals in triple negative breast cancer cells. Cell Signal. 2016 May;28(5):506-515. doi: 10.1016/j.cellsig.2016.02.006. Epub 2016 Feb 11.@@Mates JM, de Silva S, Lustberg M, Van Deusen K, Baiocchi RA, Wu L, Kwiek JJ: A Novel Histone Deacetylase Inhibitor, AR-42, Reactivates HIV-1 from Chronically and Latently Infected CD4(+) T-cells. Retrovirology (Auckl). 2015;7:1-5. doi: 10.4137/RRT.S31632. Epub 2015 Oct 15.@@Kouraklis G, Theocharis S: Histone deacetylase inhibitors: a novel target of anticancer therapy (review). Oncol Rep. 2006 Feb;15(2):489-94.@@Kouraklis G, Theocharis S: Histone deacetylase inhibitors and anticancer therapy. Curr Med Chem Anticancer Agents. 2002 Jul;2(4):477-84. doi: 10.2174/1568011023353921.@@Giuliano M, Pellerito C, Celesia A, Fiore T, Emanuele S: Tributyltin(IV) Butyrate: A Novel Epigenetic Modifier with ER Stress- and Apoptosis-Inducing Properties in Colon Cancer Cells. Molecules. 2021 Aug 19;26(16). pii: molecules26165010. doi: 10.3390/molecules26165010.@@Jaime-Ramirez AC, Yu JG, Caserta E, Yoo JY, Zhang J, Lee TJ, Hofmeister C, Lee JH, Kumar B, Pan Q, Kumar P, Baiocchi R, Teknos T, Pichiorri F, Kaur B, Old M: Reolysin and Histone Deacetylase Inhibition in the Treatment of Head and Neck Squamous Cell Carcinoma. Mol Ther Oncolytics. 2017 May 10;5:87-96. doi: 10.1016/j.omto.2017.05.002. eCollection 2017 Jun 16." Approved; Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives Myelosuppressive Agents; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Hyperglycemia-Associated Agents; Hydroxylamines; Amides; Histone deacetylase (HDAC) inhibitors; Histone Deacetylase Inhibitors; Hydroxy Acids; Antineoplastic Agents; Potential QTc-Prolonging Agents; Anilides; Aniline Compounds; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Narrow Therapeutic Index Drugs; Hydroxamic Acids ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1 20475 46508989 D06320 PA164748224 DAP001082 Vorinostat CHEMBL98 194337 DB02547 Guanosine-5'-Diphosphate-Rhamnose BE0003278 GMDS O60547 GMDS_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleotide sugars "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars" C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@@H](O)[C@@H]1O 46504876 CHEMBL1233001 DB02548 D-glucitol 6-phosphate BE0001199 GPI P06744 G6PI_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Monosaccharide phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Sugar Phosphates; Carbohydrates OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O 46508367 DB02550 "8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-2-Fluoro-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives COC1=C(OC)C(OC)=C(Cl)C(CC2=NC3=C(N)N=C(F)N=C3N2CCCC#C)=C1 46505988 CHEMBL112953 DB02552 Geranyl Diphosphate BE0000776 FDPS P14324 FPPS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoprenoid phosphates Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Isoprenoid phosphates "Anions; Electrolytes; Ions; Phosphorus Compounds; Phosphoric Acids; Acids; Polyphosphates; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic; Terpenes" CC(C)=CCC\C(C)=C\CO[P@@](=O)(O)OP(=O)(O)O "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Hyper-IgD Syndrome; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Risedronate Action Pathway; Mevalonic Aciduria; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; CHILD Syndrome; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Wolman Disease; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 46504900 CHEMBL41342 DB02553 Glutathionylspermidine disulfide BE0000648 GSR P00390 GSHR_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H]N([H])CCCCN([H])CCCN([H])C(=O)CN([H])C(=O)[C@H](CSSC[C@H](N([H])C(=O)CC[C@@H](N([H])[H])C(O)=O)C(=O)N([H])CC(=O)N([H])CCCN([H])CCCCN([H])[H])N([H])C(=O)CC[C@@H](N([H])[H])C(O)=O 46505065 DB02556 D-Phenylalanine BE0000273 CCBL1 Q16773 KAT1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@H](CC1=CC=CC=C1)C(O)=O 46505758 Phenylalanine CHEMBL379630 DB02556 D-Phenylalanine BE0001026 CRH P06850 CRF_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@H](CC1=CC=CC=C1)C(O)=O 46505758 Phenylalanine CHEMBL379630 DB02557 Phosphoramidon BE0000266 MME P08473 NEP_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Protease Inhibitors; Anti-Infective Agents; Metalloendopeptidases, antagonists & inhibitors; Enzyme Inhibitors; Carbohydrates; Peptides; Glycoconjugates; Amino Acids, Peptides, and Proteins" CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O 46506179 DNC001121 Phosphoramidon CHEMBL479579 DB02558 N-(3-Phenyl-2-Sulfanylpropanoyl)Phenylalanylalanine BE0000266 MME P08473 NEP_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)[C@]([H])(S)CC1=CC=CC=C1)C(O)=O 46505323 DB02559 "6-(Octahydro-1h-Indol-1-Ylmethyl)Decahydroquinazoline-2,4-Diamine" BE0000330 DHFR P00374 DYR_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines [H][C@@]12CCN(C[C@@]3([H])CC[C@]4([H])N[C@@]([H])(N)N[C@@]([H])(N)[C@]4([H])C3)[C@@]1([H])CCCC2 46505268 DB02565 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide BE0001608 HDAC8 Q9BY41 HDAC8_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminobenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives Aniline Compounds; Amines; Enzyme Inhibitors; Histone Deacetylase Inhibitors; Hydroxy Acids; Hydroxylamines; Amides; Anilides; Hydroxamic Acids; Antineoplastic Agents CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO 46507995 CHEMBL140000 DB02568 Peldesine BE0000250 PNP P00491 PNPH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational Pyrrolopyrimidines Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines "Heterocyclic Compounds, Fused-Ring; Purines; Cytochrome P-450 Substrates; Purinones; N-Glycosyl Hydrolases, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Substrates; Xanthine derivatives" NC1=NC(=O)C2=C(N1)C(CC1=CN=CC=C1)=CN2 46505332 CHEMBL311300 DB02570 PD150606 BE0004144 CAPNS1 P04632 CPNS1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids "Acids, Acyclic" [H][C@](S)(CC1=CC=C(I)C=C1)C(O)=O 46508266 DB02580 Pentaglyme BE0004295 PFN2 P35080 PROF2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dialkyl ethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers COCCOCCOCCOCCOCCOC 46506612 DB02583 "N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine" BE0000330 DHFR P00374 DYR_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Pyrido[2,3-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines; Pyrido[2,3-d]pyrimidines" COC1=CC(CN(C)C2=CC3=C(N=C2)N=C(N)N=C3N)=C(OC)C=C1 46508317 CHEMBL32113 DB02587 Colforsin BE0003732 ADCY2 Q08462 ADCY2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Triterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids "P-glycoprotein inhibitors; Cardiovascular Agents; Diterpenes; Immunologic Factors; Vasodilating Agents; Anti-Asthmatic Agents; Protective Agents; Adjuvants, Immunologic; Bronchodilator Agents; Compounds used in a research, industrial, or household setting; Respiratory System Agents; Terpenes; Peripheral Nervous System Agents; Autonomic Agents; Cardiotonic Agents" [H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C 46509044 D03584 PA146096022 Forskolin CHEMBL52606 DB02587 Colforsin BE0003731 GNAS P63092 GNAS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Triterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids "P-glycoprotein inhibitors; Cardiovascular Agents; Diterpenes; Immunologic Factors; Vasodilating Agents; Anti-Asthmatic Agents; Protective Agents; Adjuvants, Immunologic; Bronchodilator Agents; Compounds used in a research, industrial, or household setting; Respiratory System Agents; Terpenes; Peripheral Nervous System Agents; Autonomic Agents; Cardiotonic Agents" [H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C 46509044 D03584 PA146096022 Forskolin CHEMBL52606 DB02587 Colforsin BE0003733 ADCY5 O95622 ADCY5_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Triterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids "P-glycoprotein inhibitors; Cardiovascular Agents; Diterpenes; Immunologic Factors; Vasodilating Agents; Anti-Asthmatic Agents; Protective Agents; Adjuvants, Immunologic; Bronchodilator Agents; Compounds used in a research, industrial, or household setting; Respiratory System Agents; Terpenes; Peripheral Nervous System Agents; Autonomic Agents; Cardiotonic Agents" [H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C 46509044 D03584 PA146096022 Forskolin CHEMBL52606 DB02587 Colforsin BE0001195 CFTR P13569 CFTR_HUMAN inhibitor 15194485 "Ramesh Babu PB, Chidekel A, Utidjian L, Shaffer TH: Regulation of apical surface fluid and protein secretion in human airway epithelial cell line Calu-3. Biochem Biophys Res Commun. 2004 Jul 9;319(4):1132-7." Experimental; Investigational Triterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids "P-glycoprotein inhibitors; Cardiovascular Agents; Diterpenes; Immunologic Factors; Vasodilating Agents; Anti-Asthmatic Agents; Protective Agents; Adjuvants, Immunologic; Bronchodilator Agents; Compounds used in a research, industrial, or household setting; Respiratory System Agents; Terpenes; Peripheral Nervous System Agents; Autonomic Agents; Cardiotonic Agents" [H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C 46509044 D03584 PA146096022 Forskolin CHEMBL52606 DB02587 Colforsin BE0010179 ADCY1 O60503 ADCY9_HUMAN activator 12215855; 26718405; 2153444; 10969137; 17995938 "Uckert S, Stief CG, Lietz B, Burmester M, Jonas U, Machtens SA: Possible role of bioactive peptides in the regulation of human detrusor smooth muscle - functional effects in vitro and immunohistochemical presence. World J Urol. 2002 Sep;20(4):244-9. doi: 10.1007/s00345-002-0287-y. Epub 2002 Jul 23.@@Al-Hazza A, Linley J, Aziz Q, Hunter M, Sandle G: Upregulation of basolateral small conductance potassium channels (KCNQ1/KCNE3) in ulcerative colitis. Biochem Biophys Res Commun. 2016 Feb 5;470(2):473-478. doi: 10.1016/j.bbrc.2015.12.086. Epub 2015 Dec 21.@@Lando M, Abemayor E, Verity MA, Sidell N: Modulation of intracellular cyclic adenosine monophosphate levels and the differentiation response of human neuroblastoma cells. Cancer Res. 1990 Feb 1;50(3):722-7.@@Aiyar N, Disa J, Dang K, Pronin AN, Benovic JL, Nambi P: Involvement of G protein-coupled receptor kinase-6 in desensitization of CGRP receptors. Eur J Pharmacol. 2000 Sep 1;403(1-2):1-7. doi: 10.1016/s0014-2999(00)00419-2.@@Monaghan TK, Mackenzie CJ, Plevin R, Lutz EM: PACAP-38 induces neuronal differentiation of human SH-SY5Y neuroblastoma cells via cAMP-mediated activation of ERK and p38 MAP kinases. J Neurochem. 2008 Jan;104(1):74-88. doi: 10.1111/j.1471-4159.2007.05018.x. Epub 2007 Nov 6." Experimental; Investigational Triterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids "P-glycoprotein inhibitors; Cardiovascular Agents; Diterpenes; Immunologic Factors; Vasodilating Agents; Anti-Asthmatic Agents; Protective Agents; Adjuvants, Immunologic; Bronchodilator Agents; Compounds used in a research, industrial, or household setting; Respiratory System Agents; Terpenes; Peripheral Nervous System Agents; Autonomic Agents; Cardiotonic Agents" [H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C 46509044 D03584 PA146096022 Forskolin CHEMBL52606 DB02587 Colforsin BE0004906 KCNMA1 Q9UGI6 KCNN3_HUMAN activator 7705467 "Hamada Y, Nakaya Y, Hamada S, Kamada M, Aono T: Activation of K+ channels by ritodrine hydrochloride in uterine smooth muscle cells from pregnant women. Eur J Pharmacol. 1994 Dec 15;288(1):45-51. doi: 10.1016/0922-4106(94)90008-6." Experimental; Investigational Triterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids "P-glycoprotein inhibitors; Cardiovascular Agents; Diterpenes; Immunologic Factors; Vasodilating Agents; Anti-Asthmatic Agents; Protective Agents; Adjuvants, Immunologic; Bronchodilator Agents; Compounds used in a research, industrial, or household setting; Respiratory System Agents; Terpenes; Peripheral Nervous System Agents; Autonomic Agents; Cardiotonic Agents" [H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C 46509044 D03584 PA146096022 Forskolin CHEMBL52606 DB02587 Colforsin BE0004367 CREBBP Q92793 CBP_HUMAN activator 15030385 "Hansen TV, Rehfeld JF, Nielsen FC: KCl and forskolin synergistically up-regulate cholecystokinin gene expression via coordinate activation of CREB and the co-activator CBP. J Neurochem. 2004 Apr;89(1):15-23. doi: 10.1046/j.1471-4159.2003.02252.x." Experimental; Investigational Triterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids "P-glycoprotein inhibitors; Cardiovascular Agents; Diterpenes; Immunologic Factors; Vasodilating Agents; Anti-Asthmatic Agents; Protective Agents; Adjuvants, Immunologic; Bronchodilator Agents; Compounds used in a research, industrial, or household setting; Respiratory System Agents; Terpenes; Peripheral Nervous System Agents; Autonomic Agents; Cardiotonic Agents" [H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C 46509044 D03584 PA146096022 Forskolin CHEMBL52606 DB02594 2'-Deoxycytidine BE0004639 TK2 O00142 KITM_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Pyrimidine 2'-deoxyribonucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides" NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1 46508326 Deoxycytidine CHEMBL66115 DB02597 "[2(R,S)-2-Sulfanylheptanoyl]-Phe-Ala" BE0000266 MME P08473 NEP_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)[C@@]([H])(S)CCCCC)C(O)=O 46505753 DNC001441 DB02598 "N-Alpha-Acetyl-3,5-Diiodotyrosylglycine" BE0002200 PAM P19021 AMD_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CC(=O)N[C@@H](CC1=CC(I)=C(O)C(I)=C1)C(=O)NCC(O)=O 46507272 DB02602 AL7182 BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides COC1=CC(=CC=C1)N1CCC2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O 46507527 CHEMBL331858 DB02603 1-Amino-6-Cyclohex-3-Enylmethyloxypurine BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Imidazo-[4,5-c]pyridines" "Organic compounds; Organoheterocyclic compounds; Imidazopyridines; Imidazo-[4,5-c]pyridines" NC1=NC(OCC2CCCCC2)=C2N=CNC2=C1 46508985 DB02610 "N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide" BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-benzylbenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C(F)=C(F)C(F)=C1F 46506936 DB02611 Balanol Analog 1 BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental p-Hydroxybenzoic acid alkyl esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives [H][C@]1(CNCCC[C@@]1([H])OC(=O)C1=CC=C(O)C=C1)NC(=O)C1=CC=C(O)C=C1 46504542 DB02615 Compound 19 BE0000123 ESR1 P03372 ESR1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes [H][C@@](C)(COC1=CC=C(C=C1)[C@]1([H])OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)N1CCCC1 46506493 CHEMBL180792 DB02615 Compound 19 BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes [H][C@@](C)(COC1=CC=C(C=C1)[C@]1([H])OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)N1CCCC1 46506493 CHEMBL180792 DB02616 FR117016 BE0002214 ADA P00813 ADA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles NC(N)=NC1=NC(=CS1)C1=CC=C(CNC2=NC3=C(N2)C=CC=C3)S1 46505554 CHEMBL93647 DB02620 3-(4-{2-[2-(2-bromo-acetylamino)-ethyldisulfanyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-pyrazine-2-carboxylic acid BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)C1=NC=CN=C1C(O)=O 46506574 DB02621 Latrunculin A BE0004161 GSN P06396 GELS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Macrolides and analogues Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues Sulfur Compounds; Porifera; Thiazoles [H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/C=C/CC\C(C)=C/C(=O)O2)O1 46508901 Latrunculin CHEMBL404116 DB02622 2-(Oxalyl-Amino)-Benzoic Acid BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acylaminobenzoic acid and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives OC(=O)C(=O)NC1=C(C=CC=C1)C(O)=O 46505623 CHEMBL139050 DB02623 Aminophosphonic acid-guanylate ester BE0004618 CDC42 P60953 CDC42_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" [H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)N([H])[H])[C@@H](O)[C@H]1O 46506806 DB02624 Homoserine Lactone BE0000752 SLC9A1 P19634 SL9A1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Alpha amino acid esters "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Furans; Lactones; Luminescent Proteins N[C@@H]1CCOC1=O 46507409 N-Acyl_homoserine_lactone DB02633 Cibacron Blue BE0001184 NQO1 P15559 NQO1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Anthraquinones Organic compounds; Benzenoids; Anthracenes; Anthraquinones NC1=C(C=C(NC2=CC=C(NC3=NC(Cl)=NC(NC4=CC=CC=C4S(O)(=O)=O)=N3)C(=C2)S(O)(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O 46507300 DNC000430 CHEMBL572528 DB02635 N-[O-Phosphono-Pyridoxyl]-Isoleucine BE0000721 BCAT2 O15382 BCAT2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Pyridoxamine 5'-phosphates Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines [H][C@](C)(CC)[C@@]([H])(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)C(O)=O 46508097 DB02637 Oxaloacetate Ion BE0004459 CS O75390 CISY_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Short-chain keto acids and derivatives Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives OC(=O)C(=O)CC([O-])=O 46508157 DB02638 Terlipressin BE0000165 AVPR1A P37288 V1AR_HUMAN agonist 17275806; 16532916; 16511036; 16011575; 17303660; 11752352 "Hiroyama M, Wang S, Aoyagi T, Oikawa R, Sanbe A, Takeo S, Tanoue A: Vasopressin promotes cardiomyocyte hypertrophy via the vasopressin V1A receptor in neonatal mice. Eur J Pharmacol. 2007 Mar 22;559(2-3):89-97. Epub 2006 Dec 29.@@Liedman R, Grant L, Igidbashian S, James I, McLeod A, Skillern L, Akerlund M: Intrauterine pressure, ischemia markers, and experienced pain during administration of a vasopressin V1a receptor antagonist in spontaneous and vasopressin-induced dysmenorrhea. Acta Obstet Gynecol Scand. 2006;85(2):207-11.@@Adikesavan NV, Mahmood SS, Stanley N, Xu Z, Wu N, Thibonnier M, Shoham M: A C-terminal segment of the V1R vasopressin receptor is unstructured in the crystal structure of its chimera with the maltose-binding protein. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2005 Apr 1;61(Pt 4):341-5. Epub 2005 Mar 24.@@Hammock EA, Lim MM, Nair HP, Young LJ: Association of vasopressin 1a receptor levels with a regulatory microsatellite and behavior. Genes Brain Behav. 2005 Jul;4(5):289-301.@@Aoyagi T, Birumachi J, Hiroyama M, Fujiwara Y, Sanbe A, Yamauchi J, Tanoue A: Alteration of glucose homeostasis in V1a vasopressin receptor-deficient mice. Endocrinology. 2007 May;148(5):2075-84. Epub 2007 Feb 15.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "QTc Prolonging Agents; Vasopressin and Analogues; Vasopressin Receptor Agonist; Pituitary Hormones, Posterior; Amino Acids, Peptides, and Proteins; Cardiovascular Agents; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Nerve Tissue Proteins; Vasoconstrictor Agents; Proteins; Hormones; Oligopeptides; Posterior Pituitary Lobe Hormones; Neuropeptides; Peptides; Vasopressins; Peptide Hormones; Moderate Risk QTc-Prolonging Agents; Pituitary Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" 46504626 PA164781020 DAP000058 Terlipressin CHEMBL2135460 57048 DB02640 Fumagillin BE0001534 METAP2 P50579 MAP2_HUMAN ligand 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Medium-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Growth Inhibitors; Anti-Infective Agents; Cycloparaffins; Angiogenesis Modulating Agents; Antiparasitic Products, Insecticides and Repellents; Growth Substances; Angiogenesis Inhibitors; Lipids; Antiprotozoals; Fatty Acids; Antiparasitic Agents; Antineoplastic Agents; Terpenes" CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O 8516 46505331 DNC000664 Fumagillin CHEMBL32838 DB02643 "N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate" BE0003418 IGF1 P05019 IGF1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Organosulfonic acids Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives "Nitrogen Compounds; Detergents; Amines; Onium Compounds; Ammonium Compounds; Surface-Active Agents; Household Products; Compounds used in a research, industrial, or household setting" CCCCCCCCCCCC[N+](C)(C)CCCS(O)(=O)=O 46505495 DB02644 N-omega-propyl-L-arginine BE0000005 NOS2 P35228 NOS2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Arginine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H]N([H])[C@@H](CCCN([H])C(\N([H])[H])=[N+](/[H])CCC)C(O)=O 46507586 DB02644 N-omega-propyl-L-arginine BE0000067 NOS1 P29475 NOS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Arginine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H]N([H])[C@@H](CCCN([H])C(\N([H])[H])=[N+](/[H])CCC)C(O)=O 46507586 DB02646 Nitrosoethane BE0004467 MB P02144 MYG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental C-nitroso compounds Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Organic nitroso compounds CCN=O 46508090 DB02647 N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives O=C(NC1=CC(=NN1)C1CC1)C1=CC=CC=C1 46508155 CHEMBL324942 DB02648 (3-Carboxy-2-(R)-Hydroxy-Propyl)-Trimethyl-Ammonium BE0000373 CROT Q9UKG9 OCTC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Carnitines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts C[N+](C)(C)C[C@H](O)CC(O)=O 46504891 CHEMBL1229656 DB02651 "{[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid)" BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental "Linear 1,3-diarylpropanoids" "Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids" OP(O)(=O)C(F)(F)C1=CC=C(CC(CC2=CC=C(C=C2)C(F)(F)P(O)(O)=O)(N2N=NC3=C2C=CC=C3)C2=CC=C(F)C(F)=C2)C=C1 46507391 CHEMBL267048 DB02656 LY-294002 BE0001315 PIK3CG P48736 PK3CG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Chromones Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans "Heterocyclic Compounds, Fused-Ring; Benzopyrans; Enzyme Inhibitors; Oxazines; Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Pyrans" O=C1C=C(OC2=C1C=CC=C2C1=CC=CC=C1)N1CCOCC1 46504762 CHEMBL98350 DB02659 Cholic Acid BE0000465 ADH1C P00326 ADH1G_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved "Trihydroxy bile acids, alcohols and derivatives" "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" OATP1B1/SLCO1B1 Inhibitors; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Bile Acids and Salts; OATP1B1/SLCO1B1 Substrates; P-glycoprotein inducers; OATP1B1/SLCO1B1 Inducers; Cholic Acids; Bile acids and derivatives; Bile Acid Preparations; Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Cholanes; Bile Therapy; BSEP/ABCB11 Substrates; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Bile and Liver Therapy [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX) disease; metabolic 46507063 D10699 PA166160055 CHEMBL205596 1440856 DB02659 Cholic Acid BE0002088 ESRRG P62508 ERR3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved "Trihydroxy bile acids, alcohols and derivatives" "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" OATP1B1/SLCO1B1 Inhibitors; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Bile Acids and Salts; OATP1B1/SLCO1B1 Substrates; P-glycoprotein inducers; OATP1B1/SLCO1B1 Inducers; Cholic Acids; Bile acids and derivatives; Bile Acid Preparations; Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Cholanes; Bile Therapy; BSEP/ABCB11 Substrates; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Bile and Liver Therapy [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX) disease; metabolic 46507063 D10699 PA166160055 CHEMBL205596 1440856 DB02659 Cholic Acid BE0003988 COX5A P20674 COX5A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved "Trihydroxy bile acids, alcohols and derivatives" "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" OATP1B1/SLCO1B1 Inhibitors; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Bile Acids and Salts; OATP1B1/SLCO1B1 Substrates; P-glycoprotein inducers; OATP1B1/SLCO1B1 Inducers; Cholic Acids; Bile acids and derivatives; Bile Acid Preparations; Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Cholanes; Bile Therapy; BSEP/ABCB11 Substrates; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Bile and Liver Therapy [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX) disease; metabolic 46507063 D10699 PA166160055 CHEMBL205596 1440856 DB02659 Cholic Acid BE0003995 COX6B1 P14854 CX6B1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved "Trihydroxy bile acids, alcohols and derivatives" "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" OATP1B1/SLCO1B1 Inhibitors; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Bile Acids and Salts; OATP1B1/SLCO1B1 Substrates; P-glycoprotein inducers; OATP1B1/SLCO1B1 Inducers; Cholic Acids; Bile acids and derivatives; Bile Acid Preparations; Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Cholanes; Bile Therapy; BSEP/ABCB11 Substrates; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Bile and Liver Therapy [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX) disease; metabolic 46507063 D10699 PA166160055 CHEMBL205596 1440856 DB02659 Cholic Acid BE0003997 PLA2G1B P04054 PA21B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved "Trihydroxy bile acids, alcohols and derivatives" "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" OATP1B1/SLCO1B1 Inhibitors; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Bile Acids and Salts; OATP1B1/SLCO1B1 Substrates; P-glycoprotein inducers; OATP1B1/SLCO1B1 Inducers; Cholic Acids; Bile acids and derivatives; Bile Acid Preparations; Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Cholanes; Bile Therapy; BSEP/ABCB11 Substrates; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Bile and Liver Therapy [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX) disease; metabolic 46507063 D10699 PA166160055 CHEMBL205596 1440856 DB02659 Cholic Acid BE0001777 NR1H4 Q96RI1 NR1H4_HUMAN 13130122 "Fujino T, Une M, Imanaka T, Inoue K, Nishimaki-Mogami T: Structure-activity relationship of bile acids and bile acid analogs in regard to FXR activation. J Lipid Res. 2004 Jan;45(1):132-8. Epub 2003 Sep 16." Approved "Trihydroxy bile acids, alcohols and derivatives" "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" OATP1B1/SLCO1B1 Inhibitors; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Bile Acids and Salts; OATP1B1/SLCO1B1 Substrates; P-glycoprotein inducers; OATP1B1/SLCO1B1 Inducers; Cholic Acids; Bile acids and derivatives; Bile Acid Preparations; Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Cholanes; Bile Therapy; BSEP/ABCB11 Substrates; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Bile and Liver Therapy [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX) disease; metabolic 46507063 D10699 PA166160055 CHEMBL205596 1440856 DB02659 Cholic Acid BE0001033 FECH P22830 HEMH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved "Trihydroxy bile acids, alcohols and derivatives" "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" OATP1B1/SLCO1B1 Inhibitors; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Bile Acids and Salts; OATP1B1/SLCO1B1 Substrates; P-glycoprotein inducers; OATP1B1/SLCO1B1 Inducers; Cholic Acids; Bile acids and derivatives; Bile Acid Preparations; Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Cholanes; Bile Therapy; BSEP/ABCB11 Substrates; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Bile and Liver Therapy [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX) disease; metabolic 46507063 D10699 PA166160055 CHEMBL205596 1440856 DB02660 Filaminast BE0000487 PDE4B Q07343 PDE4B_HUMAN inhibitor 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles Amines; Hydroxylamines COC1=CC=C(C=C1OC1CCCC1)C(\C)=N\OC(N)=O 46506759 Filaminast CHEMBL590754 DB02661 "Adenosine-5'-diphosphate-2',3'-vanadate" BE0003094 PAPSS1 O43252 PAPS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" Vanadates NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)OP(O)(O)=O)[C@H]2O[V](=O)(=O)O[C@H]12 46506868 DB02662 Novo Nordisk a/S Compound BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acylaminobenzoic acid and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives OC(=O)C(=O)NC1=C(C=C(I)C=C1)C(O)=O 46505054 CHEMBL336908 DB02670 4-Deoxy-Alpha-D-Glucose BE0004581 SMARCA5 O60264 SMCA5_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Oxanes Organic compounds; Organoheterocyclic compounds; Oxanes [H][C@]1(O)C[C@@]([H])(CO)O[C@]([H])(O)[C@]1([H])O 46508502 DB02671 1-Methylimidazole BE0004467 MB P02144 MYG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-substituted imidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles CN1C=C[NH+]=C1 46506280 1-Methylimidazole DB02676 "2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol" BE0001287 PDE4D Q08499 PDE4D_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,2-aminoalcohols" Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines OCC(CO)(CO)NCCCNC(CO)(CO)CO 46504824 CHEMBL63859 DB02679 Cyanamide BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Monoalkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines Nitrogen Compounds; Cyanides; Imines; Carbodiimides NC#N 46506862 D00123 Cyanamide CHEMBL56279 DB02681 "2,8-bis[oxido(oxo)vanadio]-1,1,1,3,5,5,7,7,9,9,9-undecaoxopentavanadoxane-2,8-diium" BE0004552 CKS1B P61024 CKS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Miscellaneous orthovanadates Inorganic compounds; Mixed metal/non-metal compounds; Miscellaneous mixed metal/non-metals; Miscellaneous metallic oxoanionic compounds [O-][V](=O)[O+]([V](=O)O[V](=O)(=O)O[V](=O)(=O)[O+]([V]([O-])=O)[V](=O)(=O)=O)[V](=O)(=O)=O 46508307 DB02684 5'-O-(L-Cysteinylsulfamoyl)adenosine BE0000188 EPRS P07814 SYEP_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" [H]N([H])[C@@H](CS)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H] 46504849 CHEMBL1163074 DB02685 3-Methylphenylalanine BE0000939 CTSB P07858 CATB_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CC1=CC=CC(C[C@H](N)C(O)=O)=C1 46505706 CHEMBL1231013 DB02689 S-{2-[Amino(Dihydroxy)-Lambda~4~-Sulfanyl]Ethyl}-D-Cysteine BE0000286 ARG1 P05089 ARGI1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-cysteine-S-conjugates "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](N)(CSCCS(N)(=O)=O)C(O)=O 46507249 DB02690 NU1025 BE0001717 PARP1 P09874 PARP1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Heterocyclic Compounds, Fused-Ring" CC1=NC2=C(C=CC=C2O)C(=O)N1 46508590 CHEMBL123904 DB02696 "6-Aminohexyl-uridine-C1,5'-diphosphate" BE0000259 B4GALT1 P15291 B4GT1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrimidine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides" [H]N([H])CCCCCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)N([H])C1=O 46507992 DB02701 Nicotinamide BE0003362 SIRT5 Q9NXA8 SIR5_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Nicotinamides Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Vitamins; Vitamin B Complex; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Pyridines; Micronutrients NC(=O)C1=CC=CN=C1 Nicotinate and Nicotinamide Metabolism metabolic 5019 46507386 D00036 DAP001410 Nicotinamide CHEMBL1140 7405 DB02701 Nicotinamide BE0001717 PARP1 P09874 PARP1_HUMAN binder 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Nicotinamides Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Vitamins; Vitamin B Complex; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Pyridines; Micronutrients NC(=O)C1=CC=CN=C1 Nicotinate and Nicotinamide Metabolism metabolic 5019 46507386 D00036 DAP001410 Nicotinamide CHEMBL1140 7405 DB02709 Resveratrol BE0001209 CSNK2A1 P68400 CSK21_HUMAN 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1 46504705 PA165291838 DNC001205 Resveratrol CHEMBL165 1000492 DB02709 Resveratrol BE0003721 AHR P35869 AHR_HUMAN 15634023 "de Medina P, Casper R, Savouret JF, Poirot M: Synthesis and biological properties of new stilbene derivatives of resveratrol as new selective aryl hydrocarbon modulators. J Med Chem. 2005 Jan 13;48(1):287-91." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1 46504705 PA165291838 DNC001205 Resveratrol CHEMBL165 1000492 DB02709 Resveratrol BE0008985 PI4K2B Q8TCG2 P4K2B_HUMAN 16102733 "Srivastava R, Ratheesh A, Gude RK, Rao KV, Panda D, Subrahmanyam G: Resveratrol inhibits type II phosphatidylinositol 4-kinase: a key component in pathways of phosphoinositide turn over. Biochem Pharmacol. 2005 Oct 1;70(7):1048-55." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1 46504705 PA165291838 DNC001205 Resveratrol CHEMBL165 1000492 DB02709 Resveratrol BE0008988 ITGA5 P08648 ITA5_HUMAN 23943159 "Davis PJ, Mousa SA, Cody V, Tang HY, Lin HY: Small molecule hormone or hormone-like ligands of integrin alphaVbeta3: implications for cancer cell behavior. Horm Cancer. 2013 Dec;4(6):335-42. doi: 10.1007/s12672-013-0156-8. Epub 2013 Aug 14." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1 46504705 PA165291838 DNC001205 Resveratrol CHEMBL165 1000492 DB02709 Resveratrol BE0003392 APP P05067 A4_HUMAN 17597573 "Ahn JS, Lee JH, Kim JH, Paik SR: Novel method for quantitative determination of amyloid fibrils of alpha-synuclein and amyloid beta/A4 protein by using resveratrol. Anal Biochem. 2007 Aug 15;367(2):259-65. Epub 2007 May 26." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1 46504705 PA165291838 DNC001205 Resveratrol CHEMBL165 1000492 DB02709 Resveratrol BE0000878 SNCA P37840 SYUA_HUMAN 17597573 "Ahn JS, Lee JH, Kim JH, Paik SR: Novel method for quantitative determination of amyloid fibrils of alpha-synuclein and amyloid beta/A4 protein by using resveratrol. Anal Biochem. 2007 Aug 15;367(2):259-65. Epub 2007 May 26." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1 46504705 PA165291838 DNC001205 Resveratrol CHEMBL165 1000492 DB02709 Resveratrol BE0000123 ESR1 P03372 ESR1_HUMAN 19496085 "Lappano R, Rosano C, Madeo A, Albanito L, Plastina P, Gabriele B, Forti L, Stivala LA, Iacopetta D, Dolce V, Ando S, Pezzi V, Maggiolini M: Structure-activity relationships of resveratrol and derivatives in breast cancer cells. Mol Nutr Food Res. 2009 Jul;53(7):845-58. doi: 10.1002/mnfr.200800331." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1 46504705 PA165291838 DNC001205 Resveratrol CHEMBL165 1000492 DB02709 Resveratrol BE0001057 SLC2A1 P11166 GTR1_HUMAN 23615963 "Salas M, Obando P, Ojeda L, Ojeda P, Perez A, Vargas-Uribe M, Rivas CI, Vera JC, Reyes AM: Resolution of the direct interaction with and inhibition of the human GLUT1 hexose transporter by resveratrol from its effect on glucose accumulation. Am J Physiol Cell Physiol. 2013 Jul 1;305(1):C90-9. doi: 10.1152/ajpcell.00387.2012. Epub 2013 Apr 24." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1 46504705 PA165291838 DNC001205 Resveratrol CHEMBL165 1000492 DB02709 Resveratrol BE0000071 PPARA Q07869 PPARA_HUMAN 24454499 "Konno H, Kanai Y, Katagiri M, Watanabe T, Mori A, Ikuta T, Tani H, Fukushima S, Tatefuji T, Shirasawa T: Melinjo (Gnetum gnemon L.) Seed Extract Decreases Serum Uric Acid Levels in Nonobese Japanese Males: A Randomized Controlled Study. Evid Based Complement Alternat Med. 2013;2013:589169. doi: 10.1155/2013/589169. Epub 2013 Dec 17." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1 46504705 PA165291838 DNC001205 Resveratrol CHEMBL165 1000492 DB02709 Resveratrol BE0000215 PPARG P37231 PPARG_HUMAN 24454499 "Konno H, Kanai Y, Katagiri M, Watanabe T, Mori A, Ikuta T, Tani H, Fukushima S, Tatefuji T, Shirasawa T: Melinjo (Gnetum gnemon L.) Seed Extract Decreases Serum Uric Acid Levels in Nonobese Japanese Males: A Randomized Controlled Study. Evid Based Complement Alternat Med. 2013;2013:589169. doi: 10.1155/2013/589169. Epub 2013 Dec 17." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1 46504705 PA165291838 DNC001205 Resveratrol CHEMBL165 1000492 DB02709 Resveratrol BE0000428 AKT1 P31749 AKT1_HUMAN inhibitor 24968355 "Hsieh TC, Lin CY, Bennett DJ, Wu E, Wu JM: Biochemical and cellular evidence demonstrating AKT-1 as a binding partner for resveratrol targeting protein NQO2. PLoS One. 2014 Jun 26;9(6):e101070. doi: 10.1371/journal.pone.0101070. eCollection 2014." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1 46504705 PA165291838 DNC001205 Resveratrol CHEMBL165 1000492 DB02709 Resveratrol BE0000230 YARS P54577 SYYC_HUMAN inhibitor 25533949 "Sajish M, Schimmel P: A human tRNA synthetase is a potent PARP1-activating effector target for resveratrol. Nature. 2015 Mar 19;519(7543):370-3. doi: 10.1038/nature14028. Epub 2014 Dec 22." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1 46504705 PA165291838 DNC001205 Resveratrol CHEMBL165 1000492 DB02715 Compound 18 BE0000123 ESR1 P03372 ESR1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Benzoates; Acids, Carbocyclic; Benzene Derivatives; Iodobenzoates" [H][C@](C)(COC1=CC=C(C=C1)[C@]1([H])OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)N1CCCC1 46505605 CHEMBL180300 DB02716 7-methyl-guanosine-5'-triphosphate BE0000957 EIF4E P06730 IF4E_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" C[N+]1=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2 46507684 CHEMBL1234303 DB02721 4-Iodopyrazole BE0000465 ADH1C P00326 ADH1G_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryl iodides Organic compounds; Organohalogen compounds; Aryl halides; Aryl iodides IC1=CNN=C1 46504835 DB02726 2-Phosphoglycolic Acid BE0004460 ENO3 P13929 ENOB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Monoalkyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters OC(=O)COP(O)(O)=O 46506266 CHEMBL47181 DB02726 2-Phosphoglycolic Acid BE0003844 TPI1 P60174 TPIS_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Monoalkyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters OC(=O)COP(O)(O)=O 46506266 CHEMBL47181 DB02726 2-Phosphoglycolic Acid BE0000088 PKM P14618 KPYM_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Monoalkyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters OC(=O)COP(O)(O)=O 46506266 CHEMBL47181 DB02726 2-Phosphoglycolic Acid BE0004550 ENO2 P09104 ENOG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Monoalkyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters OC(=O)COP(O)(O)=O 46506266 CHEMBL47181 DB02727 2-butyl-1-hydroxyguanidine BE0000067 NOS1 P29475 NOS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-hydroxyguanidines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines Amidines CCCC\N=C(/N)NO 46505170 CHEMBL308745 DB02731 Ethylmercurithiosalicylic acid BE0002256 OXCT1 P55809 SCOT1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental O-sulfanylbenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives CC[Hg]SC1=CC=CC=C1C(O)=O 46506518 1546427 DB02733 Purvalanol BE0004323 SRPK2 P78362 SRPK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives [H][C@@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC=C(C(O)=O)C(Cl)=C2)=N1)C(C)C 46505031 DNC001164 CHEMBL23254 DB02733 Purvalanol BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives [H][C@@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC=C(C(O)=O)C(Cl)=C2)=N1)C(C)C 46505031 DNC001164 CHEMBL23254 DB02733 Purvalanol BE0000923 MAPK1 P28482 MK01_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives [H][C@@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC=C(C(O)=O)C(Cl)=C2)=N1)C(C)C 46505031 DNC001164 CHEMBL23254 DB02735 2-Amino-3-Oxo-4-Sulfo-Butyric Acid BE0001197 STS P08842 STS_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Serine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](N)(C(O)=O)[C@@]([H])(O)OS(O)(=O)=O 46505449 DB02741 CD564 BE0000144 RARG P13631 RARG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones CC1(C)CCC(C)(C)C2=C1C=CC(=C2)C(=O)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O 46504721 CHEMBL309282 DB02742 Kifunensine BE0003505 MAN2A1 Q16706 MA2A1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Enzyme Inhibitors [H][C@]12NC(=O)C(=O)N1[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O 46505714 Kifunensine CHEMBL1233851 DB02742 Kifunensine BE0001414 MAN1B1 Q9UKM7 MA1B1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Enzyme Inhibitors [H][C@]12NC(=O)C(=O)N1[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O 46505714 Kifunensine CHEMBL1233851 DB02746 Phthalic Acid BE0000123 ESR1 P03372 ESR1_HUMAN 14579009 "Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G: Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Anal Bioanal Chem. 2004 Feb;378(3):664-9. Epub 2003 Oct 25." Experimental Benzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Carbocyclic" OC(=O)C1=CC=CC=C1C(O)=O 46506083 Phthalic_acid CHEMBL1045 DB02746 Phthalic Acid BE0000557 PGR P06401 PRGR_HUMAN 14579009 "Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G: Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Anal Bioanal Chem. 2004 Feb;378(3):664-9. Epub 2003 Oct 25." Experimental Benzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Carbocyclic" OC(=O)C1=CC=CC=C1C(O)=O 46506083 Phthalic_acid CHEMBL1045 DB02746 Phthalic Acid BE0000792 ESR2 Q92731 ESR2_HUMAN 15840436 "Takeuchi S, Iida M, Kobayashi S, Jin K, Matsuda T, Kojima H: Differential effects of phthalate esters on transcriptional activities via human estrogen receptors alpha and beta, and androgen receptor. Toxicology. 2005 Jun 1;210(2-3):223-33." Experimental Benzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Carbocyclic" OC(=O)C1=CC=CC=C1C(O)=O 46506083 Phthalic_acid CHEMBL1045 DB02746 Phthalic Acid BE0000071 PPARA Q07869 PPARA_HUMAN 23843199 "Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11." Experimental Benzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Carbocyclic" OC(=O)C1=CC=CC=C1C(O)=O 46506083 Phthalic_acid CHEMBL1045 DB02746 Phthalic Acid BE0001007 PPARD Q03181 PPARD_HUMAN 23843199 "Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11." Experimental Benzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Carbocyclic" OC(=O)C1=CC=CC=C1C(O)=O 46506083 Phthalic_acid CHEMBL1045 DB02746 Phthalic Acid BE0000215 PPARG P37231 PPARG_HUMAN 23843199 "Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11." Experimental Benzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Carbocyclic" OC(=O)C1=CC=CC=C1C(O)=O 46506083 Phthalic_acid CHEMBL1045 DB02746 Phthalic Acid BE0000412 RXRA P19793 RXRA_HUMAN 23843199 "Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11." Experimental Benzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Carbocyclic" OC(=O)C1=CC=CC=C1C(O)=O 46506083 Phthalic_acid CHEMBL1045 DB02746 Phthalic Acid BE0000707 RXRG P48443 RXRG_HUMAN 23843199 "Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11." Experimental Benzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Carbocyclic" OC(=O)C1=CC=CC=C1C(O)=O 46506083 Phthalic_acid CHEMBL1045 DB02750 S-(Methylmercury)-L-Cysteine BE0004053 EFTUD1 Q7Z2Z2 ETUD1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Cysteine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" C[Hg]SC[C@@H](N)C(O)=O 46505119 DB02754 "9-Butyl-8-(3,4,5-Trimethoxybenzyl)-9h-Purin-6-Amine" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives CCCCN1C(CC2=CC(OC)=C(OC)C(OC)=C2)=NC2=C(N)N=CN=C12 46505689 CHEMBL113690 DB02754 "9-Butyl-8-(3,4,5-Trimethoxybenzyl)-9h-Purin-6-Amine" BE0001898 HSP90AB1 P08238 HS90B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives CCCCN1C(CC2=CC(OC)=C(OC)C(OC)=C2)=NC2=C(N)N=CN=C12 46505689 CHEMBL113690 DB02755 1-3 Sugar Ring of Pentamannosyl 6-Phosphate BE0004494 M6PR P20645 MPRD_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Oligosaccharide phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]3([H])O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]3([H])O)[C@]2([H])O)[C@]1([H])O 46504702 DB02757 Pyrazole BE0000123 ESR1 P03372 ESR1_HUMAN 17909483 "Naoum F, Kasiotis KM, Magiatis P, Haroutounian SA: Synthesis of novel nitro-substituted triaryl pyrazole derivatives as potential estrogen receptor ligands. Molecules. 2007 Jul 2;12(7):1259-73." Experimental Pyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles "Enzyme Inhibitors; Alcohol Dehydrogenase, antagonists & inhibitors" N1C=CC=N1 46505905 Pyrazole CHEMBL15967 DB02757 Pyrazole BE0000792 ESR2 Q92731 ESR2_HUMAN 17909483 "Naoum F, Kasiotis KM, Magiatis P, Haroutounian SA: Synthesis of novel nitro-substituted triaryl pyrazole derivatives as potential estrogen receptor ligands. Molecules. 2007 Jul 2;12(7):1259-73." Experimental Pyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles "Enzyme Inhibitors; Alcohol Dehydrogenase, antagonists & inhibitors" N1C=CC=N1 46505905 Pyrazole CHEMBL15967 DB02757 Pyrazole BE0000465 ADH1C P00326 ADH1G_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles "Enzyme Inhibitors; Alcohol Dehydrogenase, antagonists & inhibitors" N1C=CC=N1 46505905 Pyrazole CHEMBL15967 DB02762 RU79072 BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinolines and derivatives Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives OP(O)(=O)OC1=CC=CC2=CC=C(N=C12)C#N 46506208 CHEMBL149603 DB02772 Sucrose BE0004442 RTCB Q9Y3I0 RTCB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Experimental; Investigational O-glycosyl compounds Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Flavoring Agents; Physiological Phenomena; Diet, Food, and Nutrition; Dietary Carbohydrates; Nutritive Sweeteners; Carbohydrates; Oligosaccharides; Polysaccharides; Dietary Sugars; Food; Disaccharides; Food Additives; Food Ingredients; Sweetening Agents; Compounds used in a research, industrial, or household setting" OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O 8818 46506134 D00025 PA451525 Sucrose CHEMBL253582 10159 DB02779 Dodecyltrimethylammonium BE0001071 PTPN11 Q06124 PTN11_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tetraalkylammonium salts Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts "Nitrogen Compounds; Detergents; Amines; Onium Compounds; Ammonium Compounds; Surface-Active Agents; Household Products; Compounds used in a research, industrial, or household setting" CCCCCCCCCCCC[N+](C)(C)C 46506419 PA451988 CHEMBL1180004 DB02783 4'-Deoxy-4'-Acetylyamino-Pyridoxal-5'-Phosphate BE0000383 GOT2 P00505 AATM_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyridoxamine 5'-phosphates Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines CC1=NC=C(COP(O)(O)=O)C(CNOCC(O)=O)=C1O 46507288 DB02784 N-(Bromoacetyl)-beta-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental [H]N(CCC(=O)N([H])[C@@]([H])(CO)C(=O)N([H])CCC1=CC=C(C=C1)N([H])C(=O)C(O)=O)C(=O)CBr 46507801 DB02789 Pregnenolone BE0001264 SULT2B1 O00204 ST2B1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Experimental "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Fused-Ring Compounds; Progesterone Congeners; Pregnenes; Gonadal Steroid Hormones; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Gonadal Hormones; Cytochrome P-450 CYP3A Substrates; Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Substrates; Steroids; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C 46506718 D00143 DNC001147 Pregnenolone CHEMBL253363 114052 DB02795 P-Anisic Acid BE0003997 PLA2G1B P04054 PA21B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental P-methoxybenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Benzoates; Acids, Carbocyclic; Hydroxy Acids; Phenols; Ethers; Hydroxybenzoates; Benzene Derivatives; Phenyl Ethers" COC1=CC=C(C=C1)C(O)=O 46506515 CHEMBL21932 1426595 DB02796 9-deazainosine BE0000250 PNP P00491 PNPH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental C-glycosyl compounds Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Nucleic Acids, Nucleotides, and Nucleosides" [H]N1C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2[H] 46507972 DB02800 "5-hydroxymethyl-5,6-dihydrofolic acid" BE0000331 SHMT1 P34896 GLYC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" NC1=NC2=C(N(CO)[C@@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(=O)N1 46505894 DB02803 "3-Phenyl-1,2-Propandiol" BE0000270 REN P00797 RENI_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives OC[C@@H](O)CC1=CC=CC=C1 46505837 DB02811 Diethyl phosphonate BE0002180 BCHE P06276 CHLE_HUMAN Experimental Phosphonic acid diesters Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Phosphonic acid diesters [H]P(=O)(OCC)OCC 46506603 DB02818 Iodo-Willardiine BE0000829 GRIA2 P42262 GRIA2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CN1C=C(I)C(=O)NC1=O)C(O)=O 46506600 CHEMBL121915 DB02822 Para-Bromobenzyl Alcohol BE0000465 ADH1C P00326 ADH1G_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzyl alcohols Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzyl alcohols Alcohols; Benzyl Compounds; Benzene Derivatives OCC1=CC=C(Br)C=C1 46507455 CHEMBL184410 DB02824 N-Pyridoxyl-Glycine-5-Monophosphate BE0000331 SHMT1 P34896 GLYC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyridoxamine 5'-phosphates Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines CC1=NC=C(COP(O)(O)=O)C(CNCC(O)=O)=C1O 46507957 DB02824 N-Pyridoxyl-Glycine-5-Monophosphate BE0000404 ODC1 P11926 DCOR_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyridoxamine 5'-phosphates Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines CC1=NC=C(COP(O)(O)=O)C(CNCC(O)=O)=C1O 46507957 DB02827 "7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid" BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@]1(COC2=NS(=O)(=O)C3=C2C=CC=C3)OCCC2=C1SC(NC(=O)C(O)=O)=C2C(O)=O 46504664 CHEMBL577144 DB02830 FR236913 BE0002214 ADA P00813 ADA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles [H][C@](CO)(CCN1C=CC2=C1C=C(NC(=O)NCC1=CC=CC=C1)C=C2)N1C=NC(=C1)C(N)=O 46504522 CHEMBL125386 DB02833 [4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Nitrobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes CC1=C(SC(N)=N1)C1=NC(NC2=CC=CC(=C2)[N+]([O-])=O)=NC=C1 46507897 CHEMBL298445 DB02833 [4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Nitrobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes CC1=C(SC(N)=N1)C1=NC(NC2=CC=CC(=C2)[N+]([O-])=O)=NC=C1 46507897 CHEMBL298445 DB02835 "Alpha-D-Glucose 1,6-Bisphosphate" BE0004461 PGM1 P36871 PGM1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hexose phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H](OP(O)(O)=O)[C@@H]1O 46504846 DB02838 "3,4-Dihydro-2h-Pyrrolium-5-Carboxylate" BE0004141 DAO P14920 OXDA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolines Organic compounds; Organoheterocyclic compounds; Pyrrolines [O-]C(=O)C1=[NH+]CCC1 "Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Ornithine Aminotransferase Deficiency (OAT Deficiency); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Hyperprolinemia Type I; Hyperprolinemia Type II; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Arginine and Proline Metabolism; D-Arginine and D-Ornithine Metabolism; Hyperornithinemia with Gyrate Atrophy (HOGA); Prolinemia Type II; L-Arginine:Glycine Amidinotransferase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency" disease; metabolic 46504530 CHEMBL18591 DB02840 "4-(1,3-Benzodioxol-5-Yl)-5-(5-Ethyl-2,4-Dihydroxyphenyl)-2h-Pyrazole-3-Carboxylic Acid" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CCC1=C(O)C=C(O)C(=C1)C1=NNC(C(O)=O)=C1C1=CC=C2OCOC2=C1 46509084 CHEMBL178130 DB02845 Methylphosphinic Acid BE0002180 BCHE P06276 CHLE_HUMAN Experimental Organophosphorus compounds Organic compounds; Organophosphorus compounds "Phosphorus Compounds; Organophosphorus Compounds; Acids; Cholinesterase Inhibitors; Phosphorus Acids; Acids, Noncarboxylic" CP(O)=O 46508696 DB02850 DAS869 BE0000455 HPD P32754 HPPD_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoylpyrazoles Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives COC1=CC=C(C=C1)C1=C(C)C(=CC=C1S(C)(=O)=O)C(=O)C1=C(O)N(N=C1)C(C)(C)C 46508138 CHEMBL1230604 DB02852 Domoic Acid BE0000826 GRIK2 Q13002 GRIK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Kainoids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Neuromuscular Agents; Pyrrolidines; Central Nervous System Depressants; Neurotoxins; Peripheral Nervous System Agents [H]\C(\C(\[H])=C(\C)[C@@]1([H])CN[C@]([H])(C(O)=O)[C@@]1([H])CC(O)=O)=C(\[H])[C@@]([H])(C)C(O)=O 46505755 Domoic_acid CHEMBL1232313 DB02854 Aetiocholanolone BE0002840 HSD17B11 Q8NBQ5 DHB11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@]([H])(O)CC[C@]12C Androstenedione Metabolism metabolic 46507911 Etiocholanolone CHEMBL85799 DB02855 N-(3-Propylcarbamoyloxirane-2-Carbonyl)-Isoleucyl-Proline BE0000939 CTSB P07858 CATB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Protease Inhibitors; Cathepsin Inhibitors; Central Nervous System Agents; Enzyme Inhibitors; Oligopeptides; Peptides; Protective Agents; Cathepsin B, antagonists & inhibitors; Cysteine Proteinase Inhibitors; Amino Acids, Peptides, and Proteins; Neuroprotective Agents; Compounds used in a research, industrial, or household setting" [H][C@](O)(CC(=O)N[C@]([H])(C(=O)N1CCC[C@@]1([H])C(O)=O)[C@@]([H])(C)CC)C(=O)NCCC 46507264 DB02857 Guanosine BE0000250 PNP P00491 PNPH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental; Investigational Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" "Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Nucleic Acids, Nucleotides, and Nucleosides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1 Gout or Kelley-Seegmiller Syndrome; Purine Metabolism; Lesch-Nyhan Syndrome (LNS); Myoadenylate Deaminase Deficiency; Molybdenum Cofactor Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Thioguanine Action Pathway; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Purine Nucleoside Phosphorylase Deficiency; Adenylosuccinate Lyase Deficiency; Xanthinuria Type II disease; metabolic; drug_action 46505099 Guanosine CHEMBL375655 1591890 DB02859 Soraphen A BE0000702 ACACB O00763 ACACB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Macrolides and analogues Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues Lactones; Polyketides [H]\C1=C([H])/[C@@]([H])(OC)[C@]([H])(CCCC[C@]([H])(OC(=O)[C@@]([H])(C)[C@@]2(O)O[C@]([H])([C@@]([H])(C)[C@]([H])(O)[C@@]2([H])OC)[C@@]1([H])C)C1=CC=CC=C1)OC 46505293 CHEMBL1235782 DB02860 Calyculin A BE0001447 PPP1CC P36873 PP1G_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids "Cardiovascular Agents; Biological Factors; Enzyme Inhibitors; Phosphoprotein Phosphatases, antagonists & inhibitors; Toxins, Biological; Vasoconstrictor Agents; Noxae; Toxic Actions; Carcinogens" [H][C@@]1(O[C@]2(C[C@@H](O)[C@H](C)[C@H](C\C=C\C3=COC(=N3)[C@@H](C)CCNC(=O)[C@@H](O)[C@@H](O)[C@H](COC)N(C)C)O2)C(C)(C)[C@H]1OP(O)(O)=O)[C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C/C#N)OC 46506773 Calyculin CHEMBL430266 DB02861 "4-(Aminosulfonyl)-N-[(3,4,5-Trifluorophenyl)Methyl]-Benzamide" BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-benzylbenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC(F)=C(F)C(F)=C1 46506876 DB02866 Dansylamide BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-naphthalene sulfonic acids and derivatives Organic compounds; Benzenoids; Naphthalenes; Naphthalene sulfonic acids and derivatives "Indicators and Reagents; Coloring Agents; Sulfones; Naphthalenes; Compounds used in a research, industrial, or household setting; Luminescent Agents; Sulfur Compounds; Laboratory Chemicals; Fluorescent Dyes" CN(C)C1=C2C=CC=C(C2=CC=C1)S(N)(=O)=O 46505185 CHEMBL119489 DB02869 3-amino-5-phenylpentane BE0001909 CTSV O60911 CATL2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H][C@](N)(CCC1=CC=CC=C1)C=CS(=O)(=O)C1=CC=CC=C1 46507600 DB02871 3-Butylthiolane 1-Oxide BE0000465 ADH1C P00326 ADH1G_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thiolanes Organic compounds; Organoheterocyclic compounds; Thiolanes "Alcohol Dehydrogenase, antagonists & inhibitors; Sulfur Compounds" [H][C@]1(CCCC)CC[S@](=O)C1 46504507 DB02873 "1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One" BE0001019 MAPK14 Q16539 MK14_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines FC1=CC=C(C(F)=C1)C1=C2CNC(=O)N(C2=CC(=C1)N1CCNCC1)C1=C(Cl)C=CC=C1Cl 46509163 CHEMBL94417 DB02877 Arotinoid acid BE0000206 RARB P10826 RARB_HUMAN 15546741; 10592235 "Alvarez R, Vega MJ, Kammerer S, Rossin A, Germain P, Gronemeyer H, de Lera AR: 9-cis-retinoic acid analogues with bulky hydrophobic rings: new RXR-selective agonists. Bioorg Med Chem Lett. 2004 Dec 20;14(24):6117-22.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Hydrocarbons, Acyclic; Cyclohexenes; Biological Factors; Alkenes; Cycloparaffins; Polyenes; Acids, Carbocyclic; Benzene Derivatives; Carotenoids; Cyclohexanes; Pigments, Biological; Terpenes" C\C(=C/C1=CC=C(C=C1)C(O)=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C 46507753 CHEMBL275311 DB02888 FKB-001 BE0000695 FKBP1A P62942 FKB1A_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acid esters "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" COC1=CC(=CC(OC)=C1OC)C(F)(F)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCCC1=CC=CC=C1)CCCC1=CN=CC=C1 46508860 DB02893 D-Methionine BE0001534 METAP2 P50579 MAP2_HUMAN 16540317 "Nonato MC, Widom J, Clardy J: Human methionine aminopeptidase type 2 in complex with L- and D-methionine. Bioorg Med Chem Lett. 2006 May 15;16(10):2580-3. Epub 2006 Mar 15." Approved; Experimental; Investigational Methionine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CSCC[C@@H](N)C(O)=O 46505884 CHEMBL1234268 DB02894 "Sulfamic Acid 2,3-O-(1-Methylethylidene)-4,5-O-Sulfonyl-Beta-Fructopyranose Ester" BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Dioxolopyrans Organic compounds; Organoheterocyclic compounds; Dioxolopyrans [H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OS(=O)(=O)O2 46507400 CHEMBL417656 DB02895 3-(Prop-2-Ene-1-Sulfinyl)-Propene-1-Thiol BE0000648 GSR P00390 GSHR_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Sulfoxides Organic compounds; Organosulfur compounds; Sulfoxides S\C=C\C[S@](=O)CC=C 46505601 DB02898 (5R)-5-{[(2-Amino-3H-purin-6-yl)oxy]methyl}-2-pyrrolidinone BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives NC1=NC2=C(N=CN2)C(OC[C@H]2CCC(=O)N2)=N1 46504706 CHEMBL271591 DB02900 alpha-D-mannose 6-phosphate BE0003623 IGF2R P11717 MPRI_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hexose phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O 46506202 CHEMBL402001 DB02900 alpha-D-mannose 6-phosphate BE0004494 M6PR P20645 MPRD_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hexose phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O 46506202 CHEMBL402001 DB02901 Stanolone BE0000123 ESR1 P03372 ESR1_HUMAN 12676605 "Kojima H, Iida M, Katsura E, Kanetoshi A, Hori Y, Kobayashi K: Effects of a diphenyl ether-type herbicide, chlornitrofen, and its amino derivative on androgen and estrogen receptor activities. Environ Health Perspect. 2003 Apr;111(4):497-502." Illicit; Investigational Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Androgens; Thyroxine-binding globulin inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; P-glycoprotein substrates; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; Fused-Ring Compounds; Anabolic Agents for Systemic Use; Gonadal Hormones; Androstanols; Androstanes; Testosterone and derivatives; Gonadal Steroid Hormones; 5-Androstanon (3) Derivatives; Androstan Derivatives; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C 46506828 D07456 Dihydrotestosterone CHEMBL27769 DB02901 Stanolone BE0000668 NR3C2 P08235 MCR_HUMAN 17105867 "Takeda AN, Pinon GM, Bens M, Fagart J, Rafestin-Oblin ME, Vandewalle A: The synthetic androgen methyltrienolone (r1881) acts as a potent antagonist of the mineralocorticoid receptor. Mol Pharmacol. 2007 Feb;71(2):473-82. Epub 2006 Nov 14." Illicit; Investigational Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Androgens; Thyroxine-binding globulin inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; P-glycoprotein substrates; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; Fused-Ring Compounds; Anabolic Agents for Systemic Use; Gonadal Hormones; Androstanols; Androstanes; Testosterone and derivatives; Gonadal Steroid Hormones; 5-Androstanon (3) Derivatives; Androstan Derivatives; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C 46506828 D07456 Dihydrotestosterone CHEMBL27769 DB02901 Stanolone BE0000132 AR P10275 ANDR_HUMAN 17591767; 10592235 "Askew EB, Gampe RT Jr, Stanley TB, Faggart JL, Wilson EM: Modulation of androgen receptor activation function 2 by testosterone and dihydrotestosterone. J Biol Chem. 2007 Aug 31;282(35):25801-16. Epub 2007 Jun 25.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Illicit; Investigational Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Androgens; Thyroxine-binding globulin inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; P-glycoprotein substrates; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; Fused-Ring Compounds; Anabolic Agents for Systemic Use; Gonadal Hormones; Androstanols; Androstanes; Testosterone and derivatives; Gonadal Steroid Hormones; 5-Androstanon (3) Derivatives; Androstan Derivatives; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C 46506828 D07456 Dihydrotestosterone CHEMBL27769 DB02908 RU78783 BE0000838 SRC P12931 SRC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates OP(O)(=O)C(C1=CC=CC=C1)P(O)(O)=O 46505266 CHEMBL148732 DB02910 Octanoyl-Coenzyme A BE0001764 ECI1 P42126 ECI1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental "2,3,4-saturated fatty acyl CoAs" Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Thioesters of coenzyme A" CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 46508781 DB02910 Octanoyl-Coenzyme A BE0001745 ACADM P11310 ACADM_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,3,4-saturated fatty acyl CoAs" Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Thioesters of coenzyme A" CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 46508781 DB02915 "4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes CC1=NC(C)=C(S1)C1=CC=NC(NC2=CC=C(C=C2)C(F)(F)F)=N1 46506632 CHEMBL48109 DB02915 "4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine" BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes CC1=NC(C)=C(S1)C1=CC=NC(NC2=CC=C(C=C2)C(F)(F)F)=N1 46506632 CHEMBL48109 DB02917 N-Hydroxy-4-(Methyl{[5-(2-Pyridinyl)-2-Thienyl]Sulfonyl}Amino)Benzamide BE0001608 HDAC8 Q9BY41 HDAC8_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides CN(C1=CC=C(C=C1)C(=O)NO)S(=O)(=O)C1=CC=C(S1)C1=NC=CC=C1 46504715 DB02918 Zardaverine BE0001287 PDE4D Q08499 PDE4D_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridazines Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives Enzyme Inhibitors; Anti-Asthmatic Agents; Bronchodilator Agents; Respiratory System Agents; Peripheral Nervous System Agents; Autonomic Agents; Phosphodiesterase Inhibitors COC1=CC(=CC=C1OC(F)F)C1=NNC(=O)C=C1 46506162 Zardaverine CHEMBL313842 DB02919 "2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine" BE0000330 DHFR P00374 DYR_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Pyrido[2,3-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines; Pyrido[2,3-d]pyrimidines" COC1=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=CC(OC)=C1OC 46505269 CHEMBL32190 DB02930 Adenosine 5'-[gamma-thio]triphosphate BE0002851 PMS2 P54278 PMS2_HUMAN Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Indicators and Reagents; Affinity Labels; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Laboratory Chemicals; Compounds used in a research, industrial, or household setting" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]1O 46507118 CHEMBL131890 DB02932 (R)-Bicalutamide BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes C[C@](O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F 46506892 Bicalutamide CHEMBL63560 DB02935 Diglyme BE0001165 HSP90B1 P14625 ENPL_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dialkyl ethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers Alcohols; Ethers; Glycols COCCOCCOC 46506526 Diglyme CHEMBL1234162 DB02938 Heptanoic acid BE0003997 PLA2G1B P04054 PA21B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Medium-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates CCCCCCC(O)=O 46505604 Heptanoic_acid CHEMBL320358 991260 DB02942 "Inositol 1,3-Bisphosphate" BE0001815 EEA1 Q15075 EEA1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O 46506084 DB02950 Hymenialdisine BE0001072 CDK2 P24941 CDK2_HUMAN inhibitor 17139284; 17016423; 10592235; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Pyrroloazepines Organic compounds; Organoheterocyclic compounds; Pyrroloazepines "Interleukin-8, antagonists & inhibitors" [H][C@@]12C=C(Br)N=C1C(=O)NCC[C@]2([H])C1=NC(N)=NC1=O 46506233 DNC000756 DB02950 Hymenialdisine BE0001082 CDK1 P06493 CDK1_HUMAN 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Pyrroloazepines Organic compounds; Organoheterocyclic compounds; Pyrroloazepines "Interleukin-8, antagonists & inhibitors" [H][C@@]12C=C(Br)N=C1C(=O)NCC[C@]2([H])C1=NC(N)=NC1=O 46506233 DNC000756 DB02952 2-aminoisobutyric acid BE0001026 CRH P06850 CRF_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Aminobutyrates; Amino Acids, Branched-Chain; Acids, Acyclic; Isobutyrates; Amino Acids, Peptides, and Proteins; Butyrates" CC(C)(N)C(O)=O 46508838 2-Aminoisobutyric_acid CHEMBL1230906 DB02953 2-Thiomethyl-3-Phenylpropanoic Acid BE0001182 MMP8 P22894 MMP8_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids [H][C@](CS)(CC1=CC=CC=C1)C(O)=O 46505430 CHEMBL90403 DB02955 Ricinoleic acid BE0000061 CNR1 P21554 CNR1_HUMAN 16406364 "Appendino G, Cascio MG, Bacchiega S, Moriello AS, Minassi A, Thomas A, Ross R, Pertwee R, De Petrocellis L, Di Marzo V: First ""hybrid"" ligands of vanilloid TRPV1 and cannabinoid CB2 receptors and non-polyunsaturated fatty acid-derived CB2-selective ligands. FEBS Lett. 2006 Jan 23;580(2):568-74. Epub 2005 Dec 29." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Plant Preparations; Biological Products; Fatty Acids, Monounsaturated; Oleic Acids; Fats, Unsaturated; Lipids; Fatty Acids; Fatty Acids, Unsaturated; Fats" CCCCCC[C@@H](O)C\C=C/CCCCCCCC(O)=O 46506721 Ricinoleic_acid CHEMBL3186422 35605 DB02963 "(5-Chloropyrazolo[1,5-a]Pyrimidin-7-Yl)-(4-Methanesulfonylphenyl)Amine" BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Pyrazolo[1,5-a]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrazolopyrimidines; Pyrazolo[1,5-a]pyrimidines" CS(=O)(=O)C1=CC=C(NC2=CC(Cl)=NC3=CC=NN23)C=C1 46506165 DB02966 Fluoro-Willardiine BE0000829 GRIA2 P42262 GRIA2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CN1C=C(F)C(=O)NC1=O)C(O)=O 46506706 CHEMBL123132 DB02973 4-(5-Bromo-2-Oxo-2h-Indol-3-Ylazo)-Benzenesulfonamide BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=CC=C(C=C1)\N=N\C1=C2C=C(Br)C=CC2=NC1=O 46504913 DB02977 PNU177836 BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives [H][C@@](O)(N[C@@]([H])(CC1=CC=CC=C1)[C@]([H])(O)N[C@@]([H])(CC1=CC(C(O)=O)=C(OCC(O)=O)C=C1)[C@@]([H])(O)NCCCCC)OC(C)(C)C 46504805 DB02983 Para-Mercury-Benzenesulfonic Acid BE0000792 ESR2 Q92731 ESR2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Organosulfonic acids Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives OS(=O)(=O)C1=CC=C([Hg])C=C1 46507852 DB02984 "4-[3-Methylsulfanylanilino]-6,7-Dimethoxyquinazoline" BE0001019 MAPK14 Q16539 MK14_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines COC1=CC2=NC=NC(NC3=CC(SC)=CC=C3)=C2C=C1OC 46507797 CHEMBL29641 DB02986 "N-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide" BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,5-disubstituted thiophenes" "Organic compounds; Organoheterocyclic compounds; Thiophenes; 2,5-disubstituted thiophenes" NS(=O)(=O)C1=CC=C(S1)S(=O)(=O)NCC1=CC=CS1 46504557 DB02987 Cysteine-S-acetamide BE0004585 OAS1 P00973 OAS1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-cysteine-S-conjugates "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Sulfhydryl Compounds; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](CSCC(N)=O)C(O)=O 46509176 DB02988 Imino-Tryptophan BE0004141 DAO P14920 OXDA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H]N=C(CC1=CNC2=CC=CC=C12)C(O)=O 46507068 DB02991 S-Ethyl-N-[4-(Trifluoromethyl)Phenyl]Isothiourea BE0000067 NOS1 P29475 NOS1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes CCS\C(N)=N\C1=CC=C(C=C1)C(F)(F)F 46505446 CHEMBL323542 DB02996 2-(Thiomethylene)-4-Methylpentanoic Acid BE0003872 ADAM28 Q9UKQ2 ADA28_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Methyl-branched fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates [H][C@](CS)(CC(C)C)C(O)=O 46508909 DB02998 Metribolone BE0000132 AR P10275 ANDR_HUMAN activator 10592235; 21712449 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Siddique HR, Mishra SK, Karnes RJ, Saleem M: Lupeol, a novel androgen receptor inhibitor: implications in prostate cancer therapy. Clin Cancer Res. 2011 Aug 15;17(16):5379-91. doi: 10.1158/1078-0432.CCR-11-0916. Epub 2011 Jun 28." Experimental Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids Fused-Ring Compounds; Estranes; Steroids; Estrenes [H][C@@]12CC[C@](C)(O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 46505539 Metribolone CHEMBL166444 DB02998 Metribolone BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids Fused-Ring Compounds; Estranes; Steroids; Estrenes [H][C@@]12CC[C@](C)(O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 46505539 Metribolone CHEMBL166444 DB02998 Metribolone BE0000668 NR3C2 P08235 MCR_HUMAN 17105867 "Takeda AN, Pinon GM, Bens M, Fagart J, Rafestin-Oblin ME, Vandewalle A: The synthetic androgen methyltrienolone (r1881) acts as a potent antagonist of the mineralocorticoid receptor. Mol Pharmacol. 2007 Feb;71(2):473-82. Epub 2006 Nov 14." Experimental Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids Fused-Ring Compounds; Estranes; Steroids; Estrenes [H][C@@]12CC[C@](C)(O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 46505539 Metribolone CHEMBL166444 DB02998 Metribolone BE0000557 PGR P06401 PRGR_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids Fused-Ring Compounds; Estranes; Steroids; Estrenes [H][C@@]12CC[C@](C)(O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 46505539 Metribolone CHEMBL166444 DB02999 Quisqualic acid BE0000829 GRIA2 P42262 GRIA2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Excitatory Amino Acid Agents; Excitatory Amino Acid Agonists; Amino Acids; Neurotransmitter Agents; Oxadiazoles; Amino Acids, Peptides, and Proteins; Oxazoles" N[C@@H](CN1OC(=O)NC1=O)C(O)=O 46509075 Quisqualic_acid CHEMBL279956 DB02999 Quisqualic acid BE0000826 GRIK2 Q13002 GRIK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Excitatory Amino Acid Agents; Excitatory Amino Acid Agonists; Amino Acids; Neurotransmitter Agents; Oxadiazoles; Amino Acids, Peptides, and Proteins; Oxazoles" N[C@@H](CN1OC(=O)NC1=O)C(O)=O 46509075 Quisqualic_acid CHEMBL279956 DB03000 S-9-(2-hydroxypropyl)adenine BE0002214 ADA P00813 ADA_HUMAN inhibitor 17839440; 33997363 "DE Clercq E, Descamps J, DE Somer P, Holyacute A: (S)-9-(2,3-Dihydroxypropyl)adenine: An Aliphatic Nucleoside Analog with Broad-Spectrum Antiviral Activity. Science. 1978 May 5;200(4341):563-5. doi: 10.1126/science.200.4341.563.@@Sharmila Tagore S, Swaminathan J, Manikandan D, Gomathi S, Sabarinathan N, Ramalingam M, Sethuraman V: Crystallographic investigation, Hirshfeld surface analysis, NLO characterization and experimental spectral (UV and NMR) studies with DFT probe on(R)-9-(2-hydroxy propyl)adenine. Heliyon. 2021 Apr 29;7(4):e06593. doi: 10.1016/j.heliyon.2021.e06593. eCollection 2021 Apr." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives [H][C@@](C)(O)CN1C=NC2=C(N)N=CN=C12 46508593 DB03008 5-fluoro-beta-L-gulosyl fluoride BE0003505 MAN2A1 Q16706 MA2A1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Monosaccharides; Carbohydrates [H][C@]1(O)[C@@]([H])(O)[C@]([H])(O)[C@](F)(CO)OC1([H])F 46505937 DB03010 Patupilone BE0000026 TUBB1 Q9H4B7 TBB1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental; Investigational Epothilones and analogues Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents [H]\C(=C(\C)[C@]1([H])C[C@]2([H])O[C@]2(C)CCC[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C(C)(C)[C@@]([H])(O)CC(=O)O1)C1=CSC(C)=N1 46505629 DNC000616 CHEMBL94657 DB03010 Patupilone BE0001367 TUBB4B P68371 TBB4B_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental; Investigational Epothilones and analogues Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents [H]\C(=C(\C)[C@]1([H])C[C@]2([H])O[C@]2(C)CCC[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C(C)(C)[C@@]([H])(O)CC(=O)O1)C1=CSC(C)=N1 46505629 DNC000616 CHEMBL94657 DB03010 Patupilone BE0001388 TUBA1C Q9BQE3 TBA1C_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental; Investigational Epothilones and analogues Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents [H]\C(=C(\C)[C@]1([H])C[C@]2([H])O[C@]2(C)CCC[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C(C)(C)[C@@]([H])(O)CC(=O)O1)C1=CSC(C)=N1 46505629 DNC000616 CHEMBL94657 DB03010 Patupilone BE0001359 TUBA8 Q9NY65 TBA8_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental; Investigational Epothilones and analogues Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents [H]\C(=C(\C)[C@]1([H])C[C@]2([H])O[C@]2(C)CCC[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C(C)(C)[C@@]([H])(O)CC(=O)O1)C1=CSC(C)=N1 46505629 DNC000616 CHEMBL94657 DB03013 N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine BE0000259 B4GALT1 P15291 B4GT1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acylaminosugars Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O 46505382 CHEMBL467754 DB03015 "6-hydroxy-1,6-dihydro purine nucleoside" BE0002214 ADA P00813 ADA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" [H]N1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1[C@H](O)N=CN2[H] 46508394 DB03017 Lauric acid BE0004019 HNF4A P41235 HNF4A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Experimental Medium-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Fatty Acids; Lipids CCCCCCCCCCCC(O)=O "Mitochondrial Beta-Oxidation of Medium Chain Saturated Fatty Acids; Beta Oxidation of Very Long Chain Fatty Acids; Carnitine-Acylcarnitine Translocase Deficiency; Adrenoleukodystrophy, X-Linked; Fatty Acid Biosynthesis" disease; metabolic 46505943 Lauric_acid CHEMBL108766 1363435 DB03017 Lauric acid BE0000071 PPARA Q07869 PPARA_HUMAN 10403814 "Murakami K, Ide T, Suzuki M, Mochizuki T, Kadowaki T: Evidence for direct binding of fatty acids and eicosanoids to human peroxisome proliferators-activated receptor alpha. Biochem Biophys Res Commun. 1999 Jul 14;260(3):609-13." Approved; Experimental Medium-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Fatty Acids; Lipids CCCCCCCCCCCC(O)=O "Mitochondrial Beta-Oxidation of Medium Chain Saturated Fatty Acids; Beta Oxidation of Very Long Chain Fatty Acids; Carnitine-Acylcarnitine Translocase Deficiency; Adrenoleukodystrophy, X-Linked; Fatty Acid Biosynthesis" disease; metabolic 46505943 Lauric_acid CHEMBL108766 1363435 DB03017 Lauric acid BE0001432 GM2A P17900 SAP3_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Experimental Medium-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Fatty Acids; Lipids CCCCCCCCCCCC(O)=O "Mitochondrial Beta-Oxidation of Medium Chain Saturated Fatty Acids; Beta Oxidation of Very Long Chain Fatty Acids; Carnitine-Acylcarnitine Translocase Deficiency; Adrenoleukodystrophy, X-Linked; Fatty Acid Biosynthesis" disease; metabolic 46505943 Lauric_acid CHEMBL108766 1363435 DB03019 "4-(2,5-Dichloro-Thiophen-3-Yl)-Pyrimidin-2-Ylamine" BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental "2,3,5-trisubstituted thiophenes" "Organic compounds; Organoheterocyclic compounds; Thiophenes; 2,3,5-trisubstituted thiophenes" NC1=NC=CC(=N1)C1=C(Cl)SC(Cl)=C1 46508071 DB03020 5-beta-D-ribofuranosylnicotinamide adenine dinucleotide BE0000465 ADH1C P00326 ADH1G_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleotide sugars "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars" NC(=O)C1=C[NH+]=CC(=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46506222 CHEMBL1231859 DB03023 "1-Tert-Butyl-3-(4-Chloro-Phenyl)-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine" BE0004315 LYN P07948 LYN_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CC(C)(C)N1[NH+]=C(C2=C1N=CN=C2N)C1=CC=C(Cl)C=C1 46506310 DB03023 "1-Tert-Butyl-3-(4-Chloro-Phenyl)-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine" BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CC(C)(C)N1[NH+]=C(C2=C1N=CN=C2N)C1=CC=C(Cl)C=C1 46506310 DB03023 "1-Tert-Butyl-3-(4-Chloro-Phenyl)-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine" BE0000842 LCK P06239 LCK_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CC(C)(C)N1[NH+]=C(C2=C1N=CN=C2N)C1=CC=C(Cl)C=C1 46506310 DB03024 2-Methyl-3-(2-Aminothiazolo)Propanal BE0000270 REN P00797 RENI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,4-disubstituted thiazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles [H][C@](C)(CC1=CSC(N)=N1)C=O 46506107 DB03026 Phosphoglycolohydroxamic Acid BE0003844 TPI1 P60174 TPIS_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Monoalkyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters ONC(=O)COP(O)(O)=O 46507230 CHEMBL371668 DB03035 "1,8-Di-Hydroxy-4-Nitro-Anthraquinone" BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Anthraquinones Organic compounds; Benzenoids; Anthracenes; Anthraquinones OC1=CC=CC2=C1C(=O)C1=C(O)C=CC(=C1C2=O)[N+]([O-])=O 46507700 CHEMBL574060 DB03039 "4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide" BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-benzylbenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC(F)=CC=C1F 46505379 DB03042 5-Phosphoarabinonic Acid BE0001199 GPI P06744 G6PI_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)C(O)=O 46509004 DB03044 Doramapimod BE0001019 MAPK14 Q16539 MK14_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles Amides; Protein Kinase Inhibitors; Benzene Derivatives CC1=CC=C(C=C1)N1N=C(C=C1NC(=O)NC1=CC=C(OCCN2CCOCC2)C2=C1C=CC=C2)C(C)(C)C 46506062 D03736 CHEMBL103667 DB03048 6-Carboxymethyluracil BE0000960 DPYD Q12882 DPYD_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydroxypyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives OC(=O)CC1=CC(=O)NC(=O)N1 46507113 CHEMBL593503 DB03052 Dazoxiben BE0001893 TBXAS1 P24557 THAS_HUMAN inhibitor 17139284; 17016423; 10592235; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Benzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Thromboxane-A Synthase, antagonists & inhibitors; Enzyme Inhibitors" OC(=O)C1=CC=C(OCCN2C=CN=C2)C=C1 46506407 DNC000518 Dazoxiben CHEMBL267473 DB03059 Acetoacetyl-CoA BE0000377 HADH Q16836 HCDH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental 3-oxo-acyl CoAs Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Thioesters of coenzyme A" CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 46506303 Acetoacetyl-CoA DB03060 Sri-9662 BE0000330 DHFR P00374 DYR_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Pyrido[2,3-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines; Pyrido[2,3-d]pyrimidines" COC1=CC(\C=C/C2=C(C)C3=C(N)N=C(N)N=C3N=C2)=C(OC)C=C1 46506463 DB03061 (R)-N-(1-Methyl-Hexyl)-Formamide BE0000465 ADH1C P00326 ADH1G_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Secondary carboxylic acid amides Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives CCCCC[C@H](C)NC=O 46505344 DB03062 (1-Methyl-1h-Imidazol-2-Yl)-(3-Methyl-4-{3-[(Pyridin-3-Ylmethyl)-Amino]-Propoxy}-Benzofuran-2-Yl)-Methanone BE0004329 NMT1 P30419 NMT1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzofurans Organic compounds; Organoheterocyclic compounds; Benzofurans Supplements; Dietary Supplements CN1C=CN=C1C(=O)C1=C(C)C2=C(O1)C=CC=C2OCCCNCC1=CN=CC=C1 46505140 CHEMBL355497 DB03072 "2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone" BE0001717 PARP1 P09874 PARP1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines CC1=CC=CC2=C1N=C(CCCN1CCC(=CC1)C1=CC=C(F)C=C1)NC2=O 46504692 CHEMBL401843 DB03073 3-Methoxybenzamide BE0001717 PARP1 P09874 PARP1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Poly(ADP-ribose) Polymerase Inhibitors; Amides; Benzene Derivatives" COC1=CC(=CC=C1)C(N)=O 46508871 CHEMBL123978 DB03078 PASBN BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoyl derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives O[P@@](=O)(OCC1=CC=CC=C1)OC1=C(C=O)C=CC=C1 46506627 CHEMBL148630 DB03083 IC261 BE0003334 CSNK1G2 P78368 KC1G2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines "Phenols; Heterocyclic Compounds, Fused-Ring; Benzene Derivatives" COC1=CC(OC)=C(\C=C2\C(=O)NC3=CC=CC=C23)C(OC)=C1 46509166 CHEMBL489156 DB03084 "Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine" BE0001097 MAPK10 P53779 MK10_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles CCCN1C(=NC(=C1C1=CC=NC(NC2CC2)=N1)C1=CC=C(Cl)C(Cl)=C1)C1CCN(C)CC1 46505259 CHEMBL252967 DB03085 Glycolic acid BE0001089 G6PD P11413 G6PD_HUMAN inhibitor 430210 "Ribaya JD, Gershoff SN: Interrelationships in rats among dietary vitamin B6, glycine and hydroxyproline. Effects of oxalate, glyoxylate, glycolate, and glycine on liver enzymes. J Nutr. 1979 Jan;109(1):171-83. doi: 10.1093/jn/109.1.171." Approved; Investigational Alpha hydroxy acids and derivatives Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives "Hydroxy Acids; Acids, Acyclic; Dermatologicals; Keratolytic Agents; Acetates" OCC(O)=O 46508186 Glycolic_acid CHEMBL252557 70603 DB03086 "N'-(2s,3r)-3-Amino-4-Cyclohexyl-2-Hydroxy-Butano-N-(4-Methylphenyl)Hydrazide" BE0001534 METAP2 P50579 MAP2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Beta amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](N)(CC1CCCCC1)[C@]([H])(O)C(=O)NNC1=CC=C(C)C=C1 46504926 CHEMBL354739 DB03088 Pidolic acid BE0003872 ADAM28 Q9UKQ2 ADA28_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Imino Acids; Pyrrolidines; Amino Acids, Cyclic; Mineral Supplements; Amino Acids, Acidic; Glutamates; Pyrrolidinones; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism" OC(=O)[C@@H]1CCC(=O)N1 gamma-Glutamyltranspeptidase Deficiency; gamma-Glutamyltransferase Deficiency; Glutathione Synthetase Deficiency; Glutathione Metabolism; 5-Oxoprolinase Deficiency; 5-Oxoprolinuria disease; metabolic 13903 46506886 Pyroglutamic_acid CHEMBL397976 9036 DB03093 "8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives COC1=CC(CC2=NC3=NC(F)=NC(N)=C3N2)=C(OC)C=C1 46507104 CHEMBL324951 DB03100 6-Nitroindazole BE0000005 NOS2 P35228 NOS2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indazoles Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles "Nitric Oxide Synthase, antagonists & inhibitors; Pyrazoles; Heterocyclic Compounds, Fused-Ring" O=N(=O)C1=CC2=NNC=C2C=C1 46504479 CHEMBL54277 DB03101 Ribose-1-Phosphate BE0000250 PNP P00491 PNPH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pentoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O Lesch-Nyhan Syndrome (LNS); Dihydropyrimidinase Deficiency; Molybdenum Cofactor Deficiency; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; Ribose-5-phosphate Isomerase Deficiency; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Thioguanine Action Pathway; beta-Ureidopropionase Deficiency; Transaldolase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Glucose-6-phosphate Dehydrogenase Deficiency; UMP Synthase Deficiency (Orotic Aciduria); Pentose Phosphate Pathway; Nicotinate and Nicotinamide Metabolism; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Pyrimidine Metabolism; Xanthinuria Type II; Myoadenylate Deaminase Deficiency; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency disease; metabolic; drug_action 46508297 CHEMBL603367 DB03102 "2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid" BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" OC(=O)C(=O)NC1=C(C(O)=O)C2=C(COCC2)S1 46509006 CHEMBL138806 DB03104 2-[4-[(Z)-2-Acetamido-3-oxo-3-[[(3S)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]prop-1-enyl]-2-formylphenyl]acetic acid BE0000838 SRC P12931 SRC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CC(=O)N\C(=C/C1=CC=C(CC(O)=O)C(C=O)=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O 46504640 CHEMBL356002 DB03106 scyllo-inositol BE0000978 GBA P04062 GLCM_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational Cyclohexanols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Stereoisomerism; Sugar Alcohols; Carbohydrates; Alcohols O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 46505198 DNC000974 Scyllo-Inositol CHEMBL468154 DB03110 2-Chlorophenol BE0001019 MAPK14 Q16539 MK14_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental O-chlorophenols Organic compounds; Benzenoids; Phenols; Halophenols Chlorobenzenes; Phenols; Benzene Derivatives OC1=CC=CC=C1Cl 46508177 2-Chlorophenol CHEMBL108877 DB03114 PAS219 BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoyl derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives O[P@@](=O)(OCC1CCCCC1)OC1=C(C=O)C=CC=C1 46508764 CHEMBL24811 DB03115 "5-Bromo-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide" BE0000870 MAP2K1 Q02750 MP2K1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Aminobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives [H]N(OC[C@@H](O)CO)C(=O)C1=CC(Br)=C(F)C(F)=C1N([H])C1=C(F)C=C(I)C=C1 46505983 DB03120 p-Toluenesulfonic acid BE0003970 CTSH P09668 CATH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental p-Methylbenzenesulfonates Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonic acids and derivatives Sulfur Acids; Arylsulfonic Acids; Arylsulfonates; Sulfur Compounds; Sulfonic Acids; Benzene Derivatives CC1=CC=C(C=C1)S(O)(=O)=O 46507671 P-Toluenesulfonic_acid CHEMBL541253 DB03124 5-[4-(1-Carboxymethyl-2-Oxo-Propylcarbamoyl)-Benzylsulfamoyl]-2-Hydroxy-Benzoic Acid BE0001162 CASP3 P42574 CASP3_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Beta amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CC(O)=O)(NC(=O)C1=CC=C(CNS(=O)(=O)C2=CC(C(O)=O)=C(O)C=C2)C=C1)C(C)=O 46505887 DB03125 "2,4-Diamino-5-(3,4,5-Trimethoxy-Benzyl)-Pyrimidin-1-Ium" BE0000330 DHFR P00374 DYR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles COC1=CC(CC2=C[NH+]=C(N)N=C2N)=CC(OC)=C1OC 46508671 DB03126 Mant-Adp BE0003893 MYH14 Q7Z406 MYH14_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine 2'-deoxyribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides" "Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Purines; Purine Nucleotides; Benzoates; Acids, Carbocyclic; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Benzene Derivatives; Nucleotides; Aminobenzoates" [H][C@@]1(C[C@]([H])(OC(=O)C2=CC=CC=C2NC)[C@@]([H])(COP(O)(=O)OP(O)(O)=O)O1)N1C=NC2=C(N)N=CN=C12 46506974 DB03127 Benzamidine BE0001209 CSNK2A1 P68400 CSK21_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives Protease Inhibitors; Serine Protease Inhibitors; Enzyme Inhibitors; Amidines NC(=[NH2+])C1=CC=CC=C1 46504844 DNC000295 Benzamidine DB03127 Benzamidine BE0001764 ECI1 P42126 ECI1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives Protease Inhibitors; Serine Protease Inhibitors; Enzyme Inhibitors; Amidines NC(=[NH2+])C1=CC=CC=C1 46504844 DNC000295 Benzamidine DB03128 Acetylcholine BE0000560 CHRM2 P08172 ACM2_HUMAN 10101037 "Birdsall NJ, Farries T, Gharagozloo P, Kobayashi S, Lazareno S, Sugimoto M: Subtype-selective positive cooperative interactions between brucine analogs and acetylcholine at muscarinic receptors: functional studies. Mol Pharmacol. 1999 Apr;55(4):778-86." Approved; Investigational Acyl cholines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts Cholinergic Agonists; OCT1 substrates; Cardiovascular Agents; Parasympathomimetics; Cholinergic Receptor Agonist; Ophthalmologicals; Amines; Cholinesterase substrates; Miotics; Neurotransmitter Agents; Biogenic Amines; Vasodilating Agents; Antiglaucoma Preparations and Miotics; Cholinergic Agents; Sensory Organs CC(=O)OCC[N+](C)(C)C Famotidine Action Pathway; Nizatidine Action Pathway; Esomeprazole Action Pathway; Pantoprazole Action Pathway; Ranitidine Action Pathway; Gastric Acid Production; Pirenzepine Action Pathway; Omeprazole Action Pathway; Lafutidine H2-Antihistamine Action; Rabeprazole Action Pathway; Phospholipid Biosynthesis; Betazole Action Pathway; Metiamide Action Pathway; Cimetidine Action Pathway; Roxatidine Acetate Action Pathway; Lansoprazole Action Pathway physiological; metabolic; drug_action 4957 46504484 PA448031 Acetylcholine CHEMBL667 194 DB03128 Acetylcholine BE0000045 CHRM3 P20309 ACM3_HUMAN 10101037 "Birdsall NJ, Farries T, Gharagozloo P, Kobayashi S, Lazareno S, Sugimoto M: Subtype-selective positive cooperative interactions between brucine analogs and acetylcholine at muscarinic receptors: functional studies. Mol Pharmacol. 1999 Apr;55(4):778-86." Approved; Investigational Acyl cholines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts Cholinergic Agonists; OCT1 substrates; Cardiovascular Agents; Parasympathomimetics; Cholinergic Receptor Agonist; Ophthalmologicals; Amines; Cholinesterase substrates; Miotics; Neurotransmitter Agents; Biogenic Amines; Vasodilating Agents; Antiglaucoma Preparations and Miotics; Cholinergic Agents; Sensory Organs CC(=O)OCC[N+](C)(C)C Famotidine Action Pathway; Nizatidine Action Pathway; Esomeprazole Action Pathway; Pantoprazole Action Pathway; Ranitidine Action Pathway; Gastric Acid Production; Pirenzepine Action Pathway; Omeprazole Action Pathway; Lafutidine H2-Antihistamine Action; Rabeprazole Action Pathway; Phospholipid Biosynthesis; Betazole Action Pathway; Metiamide Action Pathway; Cimetidine Action Pathway; Roxatidine Acetate Action Pathway; Lansoprazole Action Pathway physiological; metabolic; drug_action 4957 46504484 PA448031 Acetylcholine CHEMBL667 194 DB03132 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid BE0003844 TPI1 P60174 TPIS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzothiazoles Organic compounds; Organoheterocyclic compounds; Benzothiazoles "Hydrocarbons, Acyclic; Triose-Phosphate Isomerase, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Thiazoles; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes" OS(=O)(=O)CCCSC1=NC2=C(S1)C=CC=C2 46506556 CHEMBL1161789 DB03135 [2(Formyl-Hydroxy-Amino)-Ethyl]-Phosphonic Acid BE0003844 TPI1 P60174 TPIS_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Organic phosphonic acids Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids ON(CCP(O)(O)=O)C=O 46504457 DB03137 "8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9-Pent-9h-Purin-6-Ylamine" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives COC1=CC(CC2=NC3=C(N)N=C(F)N=C3N2CCCC#C)=C(OC)C=C1 46505734 CHEMBL326082 DB03144 N(5)-[(hydroxyamino)(imino)methyl]-L-ornithine BE0000005 NOS2 P35228 NOS2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Arginine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Basic; Amino Acids, Peptides, and Proteins; Amino Acids, Diamino" N[C@@H](CCCNC(=N)NO)C(O)=O "Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Ornithine Aminotransferase Deficiency (OAT Deficiency); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Hyperprolinemia Type I; Hyperprolinemia Type II; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Arginine and Proline Metabolism; Hyperornithinemia with Gyrate Atrophy (HOGA); Prolinemia Type II; L-Arginine:Glycine Amidinotransferase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency" disease; metabolic 46506099 CHEMBL260629 DB03144 N(5)-[(hydroxyamino)(imino)methyl]-L-ornithine BE0000286 ARG1 P05089 ARGI1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Arginine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Basic; Amino Acids, Peptides, and Proteins; Amino Acids, Diamino" N[C@@H](CCCNC(=N)NO)C(O)=O "Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Ornithine Aminotransferase Deficiency (OAT Deficiency); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Hyperprolinemia Type I; Hyperprolinemia Type II; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Arginine and Proline Metabolism; Hyperornithinemia with Gyrate Atrophy (HOGA); Prolinemia Type II; L-Arginine:Glycine Amidinotransferase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency" disease; metabolic 46506099 CHEMBL260629 DB03144 N(5)-[(hydroxyamino)(imino)methyl]-L-ornithine BE0000067 NOS1 P29475 NOS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Arginine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Basic; Amino Acids, Peptides, and Proteins; Amino Acids, Diamino" N[C@@H](CCCNC(=N)NO)C(O)=O "Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Ornithine Aminotransferase Deficiency (OAT Deficiency); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Hyperprolinemia Type I; Hyperprolinemia Type II; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Arginine and Proline Metabolism; Hyperornithinemia with Gyrate Atrophy (HOGA); Prolinemia Type II; L-Arginine:Glycine Amidinotransferase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency" disease; metabolic 46506099 CHEMBL260629 DB03147 Flavin adenine dinucleotide BE0000305 NDUFA9 Q16795 NDUA9_HUMAN cofactor 25526675 "Bhatia C, Oerum S, Bray J, Kavanagh KL, Shafqat N, Yue W, Oppermann U: Towards a systematic analysis of human short-chain dehydrogenases/reductases (SDR): Ligand identification and structure-activity relationships. Chem Biol Interact. 2015 Jun 5;234:114-25. doi: 10.1016/j.cbi.2014.12.013. Epub 2014 Dec 16." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0000067 NOS1 P29475 NOS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0001184 NQO1 P15559 NQO1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0004574 ERO1B Q86YB8 ERO1B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0000648 GSR P00390 GSHR_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0000160 CYB5R3 P00387 NB5R3_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0000397 IVD P26440 IVD_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0002204 XDH P47989 XDH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0000960 DPYD Q12882 DPYD_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0001979 TXNRD1 Q16881 TRXR1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0000965 AIFM1 O95831 AIFM1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0002364 POR P16435 NCPR_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0001921 GCDH Q92947 GCDH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0001745 ACADM P11310 ACADM_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0004141 DAO P14920 OXDA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0004566 IL4I1 Q96RQ9 OXLA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0000737 DLD P09622 DLDH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0004135 ACOX1 Q15067 ACOX1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03147 Flavin adenine dinucleotide BE0004580 GFER P55789 ALR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 "Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency" disease; metabolic; drug_action 46508543 D00005 Flavin_adenine_dinucleotide CHEMBL1232653 1314412 DB03150 "2',3'-Dideoxythymidine-5'-Monophosphate" BE0001221 DTYMK P23919 KTHY_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental "Pyrimidine 2',3'-dideoxyribonucleoside monophosphates" "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides" CC1=CN([C@H]2CC[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O 46508108 CHEMBL1229914 DB03153 "3H-pyrazolo[4,3-d]pyrimidin-7-ol" BE0000077 HPRT1 P00492 HPRT_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrazolopyrimidines Organic compounds; Organoheterocyclic compounds; Pyrazolopyrimidines OC1=NC=NC2=C1N=NC2 46504970 DB03154 {[7-(Difluoro-Phosphono-Methyl)-Naphthalen-2-Yl]-Difluoro-Methyl}-Phosphonic Acid BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenes Organic compounds; Benzenoids; Naphthalenes OP(O)(=O)C(F)(F)C1=CC2=CC(=CC=C2C=C1)C(F)(F)P(O)(O)=O 46505029 CHEMBL1161221 DB03158 "D-Myo-Inositol-1,4-Bisphosphate" BE0004437 INPP5B P32019 I5P2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O 46505669 DB03169 (S)-Hmg-Coa BE0000574 HMGCR P04035 HMDH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental (S)-3-hydroxy-3-alkylglutaryl CoAs Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters [H][C@](O)(C([O-])=NCCC([O-])=NCCSC(=O)C[C@@](C)(O)CC([O-])=O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O 46506416 DB03176 KB-141 BE0000687 THRA P10827 THA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers "Acids, Carbocyclic; Phenols; Ethers; Benzene Derivatives; Ligands" CC(C)C1=CC(OC2=C(Cl)C=C(CC(O)=O)C=C2Cl)=CC=C1O 46506815 CHEMBL41036 DB03176 KB-141 BE0000315 THRB P10828 THB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers "Acids, Carbocyclic; Phenols; Ethers; Benzene Derivatives; Ligands" CC(C)C1=CC(OC2=C(Cl)C=C(CC(O)=O)C=C2Cl)=CC=C1O 46506815 CHEMBL41036 DB03181 "2-[4-(4-Hydroxy-3-Isopropyl-Phenoxy)-3,5-Dimethyl-Phenyl]-2h-[1,2,4]Triazine-3,5-Dione" BE0000315 THRB P10828 THB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers CC(C)C1=CC(OC2=C(C)C=C(C=C2C)N2N=CC(=O)NC2=O)=CC=C1O 46507308 CHEMBL125381 DB03182 alpha-Fluoro-carboxymethyldethia coenzyme A complex BE0004459 CS O75390 CISY_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CC[C@@H](F)C(O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1 46508255 DB03183 "1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester" BE0001287 PDE4D Q08499 PDE4D_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CCOC(=O)C1=C(C)N(N=C1C)C1=CC=C(N)C=C1 46508369 DB03192 (R)-3-hydroxydecanoyl-CoA BE0000408 HSD17B4 P51659 DHB4_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental (R)-3-hydroxyacyl CoAs Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters CCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 46504729 DB03193 Stearic acid BE0000071 PPARA Q07869 PPARA_HUMAN 10403814 "Murakami K, Ide T, Suzuki M, Mochizuki T, Kadowaki T: Evidence for direct binding of fatty acids and eicosanoids to human peroxisome proliferators-activated receptor alpha. Biochem Biophys Res Commun. 1999 Jul 14;260(3):609-13." Approved; Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Fatty Acids; Stearic Acids; Lipids CCCCCCCCCCCCCCCCCC(O)=O Plasmalogen Synthesis; Mitochondrial Beta-Oxidation of Long Chain Saturated Fatty Acids metabolic 9820 46508522 D00119 Stearic_acid CHEMBL46403 1310551 DB03195 3'-Fluoro-3'-deoxythymidine 5'-monophosphate BE0001221 DTYMK P23919 KTHY_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives CC1=CN([C@H]2C[C@H](F)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O 46505533 CHEMBL1160619 DB03206 Duvoglustat BE0001414 MAN1B1 Q9UKM7 MA1B1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Piperidines Organic compounds; Organoheterocyclic compounds; Piperidines Imino Pyranoses; Imino Sugars; Anti-Infective Agents; Piperidines; Enzyme Inhibitors; Carbohydrates; Imines; Alkaloids; Amino Sugars; Hexosamines OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O 46507744 D09605 1-Deoxynojirimycin CHEMBL307429 DB03207 "2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid" BE0001182 MMP8 P22894 MMP8_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives [H][C@@]1(CC2=C(CN1S(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1)C=CC=C2)C(O)=O 46508801 DB03214 Vinylglycine BE0004566 IL4I1 Q96RQ9 OXLA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Peptides, and Proteins" N[C@@H](C=C)C(O)=O 46506124 DB03216 "(1'R,2'S)-9-(2-Hydroxy-3'-Keto-Cyclopenten-1-yl)Adenine" BE0001684 AHCY P23526 SAHH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental "1,3-substituted cyclopentyl purine nucleosides" "Organic compounds; Nucleosides, nucleotides, and analogues; Nucleoside and nucleotide analogues; Cyclopentyl nucleosides" NC1=NC=NC2=C1N=CN2[C@@H]1C=C[C@H](O)[C@H]1O 46505345 DB03217 DPI59 BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenes Organic compounds; Benzenoids; Naphthalenes [H][C@@](O)(C1=CC=CC2=CC=CC=C12)P(O)(O)=O 46508128 DB03220 FR-234938 BE0002214 ADA P00813 ADA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenes Organic compounds; Benzenoids; Naphthalenes C[C@H](O)[C@@H](CCC1=C2C=CC=CC2=CC=C1)N1C=NC(=C1)C(N)=O 46507240 CHEMBL93560 DB03221 AL7099A BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental CN[C@@H]1CN(C2=CC(OC)=CC=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O 46507532 DB03222 dATP BE0000113 POLB P06746 DPOLB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine 2'-deoxyribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides" "Deoxyribonucleotides; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 46507738 Deoxyadenosine_triphosphate CHEMBL335538 DB03223 Diphthamide BE0004281 EEF2 P13639 EF2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Histidine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids, Cyclic; Amino Acids; Amino Acids, Peptides, and Proteins" C[N+](C)(C)[C@@H](CCC1=NC(C[C@H](N)C(O)=O)=CN1)C(N)=O 46508643 Diphthamide DB03225 D-Tryptophan BE0004141 DAO P14920 OXDA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolyl carboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives N[C@H](CC1=CNC2=CC=CC=C12)C(O)=O 46508031 CHEMBL292303 DB03226 Trifluoroethanol BE0000465 ADH1C P00326 ADH1G_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fluorohydrins Organic compounds; Organohalogen compounds; Halohydrins; Fluorohydrins Alcohols OCC(F)(F)F 46505995 "2,2,2-Trifluoroethanol" CHEMBL116675 DB03226 Trifluoroethanol BE0001076 HRAS P01112 RASH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fluorohydrins Organic compounds; Organohalogen compounds; Halohydrins; Fluorohydrins Alcohols OCC(F)(F)F 46505995 "2,2,2-Trifluoroethanol" CHEMBL116675 DB03227 Nicotinamide Mononucleotide BE0001809 NMNAT1 Q9HAN9 NMNA1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Nicotinamide nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Pyridine nucleotides; Nicotinamide nucleotides" "Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides" NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]1O 46506664 2262276 DB03233 3'-deoxy-3'-aminothymidine monophosphate BE0001221 DTYMK P23919 KTHY_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives [H]N([H])[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(C)C(=O)N([H])C1=O 46507265 CHEMBL1160597 DB03240 "(S)-2-Amino-3-(1,3,5,7-Pentahydro-2,4-Dioxo-Cyclopenta[E]Pyrimidin-1-Yl) Proionic Acid" BE0000829 GRIA2 P42262 GRIA2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CN1C2=C(CCC2)C(=O)NC1=O)C(O)=O 46506060 CHEMBL337577 DB03245 S-4-Nitrobutyryl-CoA BE0001921 GCDH Q92947 GCDH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Acyl CoAs Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters [H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSC(=O)CCC[N+]([O-])=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1 46505726 DB03247 Flavin mononucleotide BE0000067 NOS1 P29475 NOS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Heterocyclic Compounds, Fused-Ring; Coenzymes; Vitamin B Complex; Ribonucleotides; Enzymes and Coenzymes; Photoenhancer; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological; Micronutrients" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2 "Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Dihydropyrimidinase Deficiency; Hyperornithinemia with Gyrate Atrophy (HOGA); Riboflavin Metabolism; Carnosinuria, Carnosinemia; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hyperprolinemia Type II; Pantothenate and CoA Biosynthesis; beta-Ureidopropionase Deficiency; Hypophosphatasia; L-Arginine:Glycine Amidinotransferase Deficiency; Vitamin B6 Metabolism; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Doxorubicin Metabolism Pathway; UMP Synthase Deficiency (Orotic Aciduria); Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Pyrimidine Metabolism; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); beta-Alanine Metabolism; Hyperprolinemia Type I; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; GABA-Transaminase Deficiency; Ureidopropionase Deficiency; Prolinemia Type II" drug_metabolism; disease; metabolic; signaling 5015 46507603 Flavin_mononucleotide CHEMBL1201794 DB03247 Flavin mononucleotide BE0000960 DPYD Q12882 DPYD_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Heterocyclic Compounds, Fused-Ring; Coenzymes; Vitamin B Complex; Ribonucleotides; Enzymes and Coenzymes; Photoenhancer; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological; Micronutrients" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2 "Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Dihydropyrimidinase Deficiency; Hyperornithinemia with Gyrate Atrophy (HOGA); Riboflavin Metabolism; Carnosinuria, Carnosinemia; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hyperprolinemia Type II; Pantothenate and CoA Biosynthesis; beta-Ureidopropionase Deficiency; Hypophosphatasia; L-Arginine:Glycine Amidinotransferase Deficiency; Vitamin B6 Metabolism; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Doxorubicin Metabolism Pathway; UMP Synthase Deficiency (Orotic Aciduria); Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Pyrimidine Metabolism; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); beta-Alanine Metabolism; Hyperprolinemia Type I; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; GABA-Transaminase Deficiency; Ureidopropionase Deficiency; Prolinemia Type II" drug_metabolism; disease; metabolic; signaling 5015 46507603 Flavin_mononucleotide CHEMBL1201794 DB03247 Flavin mononucleotide BE0004105 SGK1 O00141 SGK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Heterocyclic Compounds, Fused-Ring; Coenzymes; Vitamin B Complex; Ribonucleotides; Enzymes and Coenzymes; Photoenhancer; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological; Micronutrients" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2 "Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Dihydropyrimidinase Deficiency; Hyperornithinemia with Gyrate Atrophy (HOGA); Riboflavin Metabolism; Carnosinuria, Carnosinemia; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hyperprolinemia Type II; Pantothenate and CoA Biosynthesis; beta-Ureidopropionase Deficiency; Hypophosphatasia; L-Arginine:Glycine Amidinotransferase Deficiency; Vitamin B6 Metabolism; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Doxorubicin Metabolism Pathway; UMP Synthase Deficiency (Orotic Aciduria); Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Pyrimidine Metabolism; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); beta-Alanine Metabolism; Hyperprolinemia Type I; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; GABA-Transaminase Deficiency; Ureidopropionase Deficiency; Prolinemia Type II" drug_metabolism; disease; metabolic; signaling 5015 46507603 Flavin_mononucleotide CHEMBL1201794 DB03247 Flavin mononucleotide BE0004614 RPS6KA4 O75676 KS6A4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Heterocyclic Compounds, Fused-Ring; Coenzymes; Vitamin B Complex; Ribonucleotides; Enzymes and Coenzymes; Photoenhancer; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological; Micronutrients" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2 "Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Dihydropyrimidinase Deficiency; Hyperornithinemia with Gyrate Atrophy (HOGA); Riboflavin Metabolism; Carnosinuria, Carnosinemia; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hyperprolinemia Type II; Pantothenate and CoA Biosynthesis; beta-Ureidopropionase Deficiency; Hypophosphatasia; L-Arginine:Glycine Amidinotransferase Deficiency; Vitamin B6 Metabolism; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Doxorubicin Metabolism Pathway; UMP Synthase Deficiency (Orotic Aciduria); Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Pyrimidine Metabolism; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); beta-Alanine Metabolism; Hyperprolinemia Type I; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; GABA-Transaminase Deficiency; Ureidopropionase Deficiency; Prolinemia Type II" drug_metabolism; disease; metabolic; signaling 5015 46507603 Flavin_mononucleotide CHEMBL1201794 DB03247 Flavin mononucleotide BE0002364 POR P16435 NCPR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Heterocyclic Compounds, Fused-Ring; Coenzymes; Vitamin B Complex; Ribonucleotides; Enzymes and Coenzymes; Photoenhancer; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological; Micronutrients" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2 "Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Dihydropyrimidinase Deficiency; Hyperornithinemia with Gyrate Atrophy (HOGA); Riboflavin Metabolism; Carnosinuria, Carnosinemia; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hyperprolinemia Type II; Pantothenate and CoA Biosynthesis; beta-Ureidopropionase Deficiency; Hypophosphatasia; L-Arginine:Glycine Amidinotransferase Deficiency; Vitamin B6 Metabolism; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Doxorubicin Metabolism Pathway; UMP Synthase Deficiency (Orotic Aciduria); Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Pyrimidine Metabolism; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); beta-Alanine Metabolism; Hyperprolinemia Type I; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; GABA-Transaminase Deficiency; Ureidopropionase Deficiency; Prolinemia Type II" drug_metabolism; disease; metabolic; signaling 5015 46507603 Flavin_mononucleotide CHEMBL1201794 DB03247 Flavin mononucleotide BE0003043 PPCDC Q96CD2 COAC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Flavin nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides" "Pteridines; Vitamins; Flavins; Biological Factors; Heterocyclic Compounds, Fused-Ring; Coenzymes; Vitamin B Complex; Ribonucleotides; Enzymes and Coenzymes; Photoenhancer; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological; Micronutrients" CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2 "Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Dihydropyrimidinase Deficiency; Hyperornithinemia with Gyrate Atrophy (HOGA); Riboflavin Metabolism; Carnosinuria, Carnosinemia; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hyperprolinemia Type II; Pantothenate and CoA Biosynthesis; beta-Ureidopropionase Deficiency; Hypophosphatasia; L-Arginine:Glycine Amidinotransferase Deficiency; Vitamin B6 Metabolism; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Doxorubicin Metabolism Pathway; UMP Synthase Deficiency (Orotic Aciduria); Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Pyrimidine Metabolism; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); beta-Alanine Metabolism; Hyperprolinemia Type I; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; GABA-Transaminase Deficiency; Ureidopropionase Deficiency; Prolinemia Type II" drug_metabolism; disease; metabolic; signaling 5015 46507603 Flavin_mononucleotide CHEMBL1201794 DB03262 "Al-6619, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Hydroxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide]" BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides NS(=O)(=O)C1=CC2=C(S1)S(=O)(=O)N(C(CN1CCOCC1)=C2)C1=CC(O)=CC=C1 46509150 CHEMBL353861 DB03268 RU82197 BE0000838 SRC P12931 SRC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CC(=O)N[C@@H](CC1=CC(C=O)=C(C=C1)C(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O 46508717 CHEMBL358866 DB03270 "2,6-Difluorobenzenesulfonamide" BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=C(F)C=CC=C1F 46508320 DB03273 3'-Oxo-Adenosine BE0001684 AHCY P23526 SAHH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives [H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)C1=O 46506986 DB03276 "4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid" BE0000917 GRB2 P62993 GRB2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Cyclic peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@H](CNC1=O)CC1=CC=CC2=CC=CC=C12)C1=CC=C(C=C1)CP(O)(O)=O 46506983 CHEMBL291678 DB03279 Dodecyl-Alpha-D-Maltoside BE0000144 RARG P13631 RARG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty acyl glycosides of mono- and disaccharides Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides [H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O[C@@]2([H])[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(OCCCCCCCCCCCC)O[C@]2([H])CO)[C@]1([H])O 46504707 CHEMBL1234048 DB03280 p1-(5'-adenosyl)p5-(5'-thymidyl)pentaphosphate BE0001221 DTYMK P23919 KTHY_HUMAN ligand 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" [H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4O)N4C=C(C)C(=O)N([H])C4=O)[C@@H](O)[C@H]3O)C2=NC=N1 46505960 CHEMBL1236157 DB03292 3-Phosphono-D-alanine BE0004590 PSPH P78330 SERB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental D-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](N)(CP(O)(O)=O)C(O)=O 46506843 CHEMBL1231023 DB03294 "1-Methyl-3-Oxo-1,3-Dihydro-Benzo[C]Isothiazole-5-Sulfonic Acid Amide" BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenoids Organic compounds; Benzenoids CN1SC(=O)C2=CC(=CC=C12)S(N)(=O)=O 46505095 CHEMBL334167 DB03297 Benzylsulfonic acid BE0004453 SOD2 P04179 SODM_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Hydrocarbons, Acyclic; Alkanesulfonates; Alkanesulfonic Acids; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes" OS(=O)(=O)CC1=CC=CC=C1 46507289 CHEMBL1171433 DB03298 Phenylphosphate BE0000838 SRC P12931 SRC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters Organophosphorus Compounds OP(O)(=O)OC1=CC=CC=C1 46506113 CHEMBL26128 DB03306 RU78300 BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters COC1=CC=CC(C=O)=C1OP(O)(O)=O 46506894 CHEMBL25186 DB03307 4-[(6-Amino-4-Pyrimidinyl)Amino]Benzenesulfonamide BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NC1=NC=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=C1 46504483 DB03309 N-cyclohexyltaurine BE0001264 SULT2B1 O00204 ST2B1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Cyclohexylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Cyclohexylamines "Hydrocarbons, Acyclic; Buffers; Alkanesulfonic Acids; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes" OS(=O)(=O)CCNC1CCCCC1 46506550 CHES_(buffer) 2049985 DB03310 Glutathione disulfide BE0000648 GSR P00390 GSHR_HUMAN substrate 8651901 "Tamura T, McMicken HW, Smith CV, Hansen TN: Mitochondrial targeting of glutathione reductase requires a leader sequence. Biochem Biophys Res Commun. 1996 May 24;222(3):659-63. doi: 10.1006/bbrc.1996.0800." Approved; Experimental; Investigational Peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Oligopeptides; Amino Acids, Peptides, and Proteins; Peptides" N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O 1951 46508372 D00031 Glutathione_disulfide CHEMBL1372 25953 DB03311 "3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide" BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1 46504995 CHEMBL1232829 DB03312 Brivudine BE0004639 TK2 O00142 KITM_HUMAN substrate 16630572 "Franzolin E, Rampazzo C, Perez-Perez MJ, Hernandez AI, Balzarini J, Bianchi V: Bromovinyl-deoxyuridine: A selective substrate for mitochondrial thymidine kinase in cell extracts. Biochem Biophys Res Commun. 2006 May 26;344(1):30-6. doi: 10.1016/j.bbrc.2006.03.147." Approved; Investigational Pyrimidine 2'-deoxyribonucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides" "Deoxyuridine; Anti-Infective Agents; Antiviral Agents; Nucleosides; Deoxyribonucleosides; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors; Antivirals for Systemic Use; Pyrimidines; Direct Acting Antivirals; Nucleic Acids, Nucleotides, and Nucleosides; Antiinfectives for Systemic Use; Pyrimidine Nucleosides" OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(\C=C\Br)C(=O)NC1=O 46505721 Brivudine CHEMBL31634 59161 DB03314 5-fluorotryptophan BE0003844 TPI1 P60174 TPIS_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolyl carboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives "Amino Acids; Amino Acids, Cyclic; Carbon Radioisotopes; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic" N[C@@H](CC1=CNC2=C1C=C(F)C=C2)C(O)=O 46508536 CHEMBL559973 DB03316 "1,4-Dioxane" BE0000999 TNFSF13B Q9Y275 TN13B_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental "1,4-dioxanes" "Organic compounds; Organoheterocyclic compounds; Dioxanes; 1,4-dioxanes" C1COCCO1 46505597 "1,4-Dioxane" CHEMBL453716 DB03316 "1,4-Dioxane" BE0004452 EPN1 Q9Y6I3 EPN1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,4-dioxanes" "Organic compounds; Organoheterocyclic compounds; Dioxanes; 1,4-dioxanes" C1COCCO1 46505597 "1,4-Dioxane" CHEMBL453716 DB03316 "1,4-Dioxane" BE0004506 TGFB3 P10600 TGFB3_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,4-dioxanes" "Organic compounds; Organoheterocyclic compounds; Dioxanes; 1,4-dioxanes" C1COCCO1 46505597 "1,4-Dioxane" CHEMBL453716 DB03317 Ferroheme C BE0002793 CYP2C9 P11712 CP2C9_HUMAN Experimental "Metalloporphyrins; Heterocyclic Compounds, Fused-Ring; Biological Factors; Porphyrins; Pigments, Biological" CC(S)C1=C2C=C3C(C)=C(C(C)S)C4=[N+]3[Fe--]35N6C(=C4)C(C)=C(CCC(O)=O)C6=CC4=[N+]3C(=CC(N25)=C1C)C(C)=C4CCC(O)=O 46508322 Heme_C DB03319 "(2S)-2-Ammonio-3-[5-(2-methyl-2-propanyl)-3-oxido-1,2-oxazol-4-yl]propanoate" BE0000829 GRIA2 P42262 GRIA2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](N)(CC1=C(ON=C1[O-])C(C)(C)C)C(O)=O 46506972 DB03328 Dioxo(sulfanyl)molybdenum BE0002204 XDH P47989 XDH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Transition metal oxides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal organides; Transition metal oxides S[Mo](=O)=O 46508283 DB03329 2-Pyridinethiol BE0000939 CTSB P07858 CATB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dihydropyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Sulfur Compounds SC1=NC=CC=C1 46507759 CHEMBL1235541 DB03333 (4-sulfamoyl-phenyl)-thiocarbamic acid O-(2-thiophen-3-yl-ethyl) ester BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=CC=C(NC(=S)OCCC2=CSC=C2)C=C1 46508020 DB03336 BIA BE0002089 COMT P21964 COMT_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds OC1=CC(=CC(=C1O)[N+]([O-])=O)C(=O)CCN1CCN(CC1)C1=CC(=CC=C1)C(F)(F)F 46506639 BIA CHEMBL387347 DB03338 Heptyl glucoside BE0000695 FKBP1A P62942 FKB1A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty acyl glycosides of mono- and disaccharides Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides CCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 46506841 2462498 DB03338 Heptyl glucoside BE0001007 PPARD Q03181 PPARD_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty acyl glycosides of mono- and disaccharides Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides CCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 46506841 2462498 DB03344 "Inositol-(1,3,4,5,6)-Pentakisphosphate" BE0004433 CYTH3 O43739 CYH3_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H][C@]1(O)[C@]([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@]([H])(OP(O)(O)=O)[C@@]1([H])OP(O)(O)=O 46505565 DB03345 Mercaptoethanol BE0004637 SCMH1 Q96GD3 SCMH1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alkylthiols Organic compounds; Organosulfur compounds; Thiols; Alkylthiols Alcohols; Sulfhydryl Compounds; Sulfur Compounds OCCS 46506852 2-Mercaptoethanol CHEMBL254951 DB03347 Triethyl phosphate BE0003380 TP53 P04637 P53_HUMAN 25510514 "Li F, Cao L, Li X, Li N, Wang Z, Wu H: Affinities of organophosphate flame retardants to tumor suppressor gene p53: an integrated in vitro and in silico study. Toxicol Lett. 2015 Jan 22;232(2):533-41. doi: 10.1016/j.toxlet.2014.12.006. Epub 2014 Dec 12." Experimental Trialkyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters Organophosphorus Compounds CCOP(=O)(OCC)OCC 46508829 Triethyl_phosphate CHEMBL1236251 DB03349 8-Bromo-Adenosine-5'-Monophosphate BE0000487 PDE4B Q07343 PDE4B_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" [H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C(Br)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O 46506327 CHEMBL1230617 DB03349 8-Bromo-Adenosine-5'-Monophosphate BE0001473 HINT1 P49773 HINT1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" [H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C(Br)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O 46506327 CHEMBL1230617 DB03351 Sri-9439 BE0000330 DHFR P00374 DYR_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives CC1=C(CNC2=CC=CC3=NC=CC=C23)C=NC2=NC(N)=NC(N)=C12 46506145 CHEMBL151958 DB03365 "4-[3-Hydroxyanilino]-6,7-Dimethoxyquinazoline" BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines COC1=CC2=NC=NC(NC3=CC(O)=CC=C3)=C2C=C1OC 46508544 CHEMBL127907 DB03366 Imidazole BE0004467 MB P02144 MYG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Imidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles "Thromboxane-A Synthase, antagonists & inhibitors; Enzyme Inhibitors" N1C=CN=C1 46507926 Imidazole CHEMBL540 DB03366 Imidazole BE0000005 NOS2 P35228 NOS2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Imidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles "Thromboxane-A Synthase, antagonists & inhibitors; Enzyme Inhibitors" N1C=CN=C1 46507926 Imidazole CHEMBL540 DB03366 Imidazole BE0004477 AK2 P54819 KAD2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Imidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles "Thromboxane-A Synthase, antagonists & inhibitors; Enzyme Inhibitors" N1C=CN=C1 46507926 Imidazole CHEMBL540 DB03366 Imidazole BE0001680 LTA4H P09960 LKHA4_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental; Investigational Imidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles "Thromboxane-A Synthase, antagonists & inhibitors; Enzyme Inhibitors" N1C=CN=C1 46507926 Imidazole CHEMBL540 DB03366 Imidazole BE0002652 GPHN Q9NQX3 GEPH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Imidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles "Thromboxane-A Synthase, antagonists & inhibitors; Enzyme Inhibitors" N1C=CN=C1 46507926 Imidazole CHEMBL540 DB03366 Imidazole BE0004532 MYO1E Q12965 MYO1E_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Imidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles "Thromboxane-A Synthase, antagonists & inhibitors; Enzyme Inhibitors" N1C=CN=C1 46507926 Imidazole CHEMBL540 DB03366 Imidazole BE0004447 DMC1 Q14565 DMC1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Imidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles "Thromboxane-A Synthase, antagonists & inhibitors; Enzyme Inhibitors" N1C=CN=C1 46507926 Imidazole CHEMBL540 DB03370 FR239087 BE0002214 ADA P00813 ADA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dichlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes [H][C@@](C)(O)[C@@]([H])(CCC1=CC=CC(Cl)=C1Cl)N1C=NC(=C1)C(N)=O 46506851 CHEMBL328139 DB03374 "3,5-Diiodotyrosine" BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tyrosine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Antithyroid agents; Thyroid Products [H][C@](N)(CC1=CC(I)=C(O)C(I)=C1)C(O)=O Thyroid Hormone Synthesis metabolic 46507686 CHEMBL1236469 DB03374 "3,5-Diiodotyrosine" BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tyrosine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Antithyroid agents; Thyroid Products [H][C@](N)(CC1=CC(I)=C(O)C(I)=C1)C(O)=O Thyroid Hormone Synthesis metabolic 46507686 CHEMBL1236469 DB03374 "3,5-Diiodotyrosine" BE0004373 IYD Q6PHW0 IYD1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tyrosine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Antithyroid agents; Thyroid Products [H][C@](N)(CC1=CC(I)=C(O)C(I)=C1)C(O)=O Thyroid Hormone Synthesis metabolic 46507686 CHEMBL1236469 DB03376 5'-O-(N-(Alanyl)sulfamoyl)adenosine BE0000188 EPRS P07814 SYEP_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" "Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Nucleic Acids, Nucleotides, and Nucleosides; Amino Acids, Peptides, and Proteins" [H]N([H])[C@@H](C)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H] 46509106 CHEMBL1163065 DB03379 2-Carboxyethylphosphonic Acid BE0003844 TPI1 P60174 TPIS_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Organic phosphonic acids Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids OC(=O)CCP(O)(O)=O 46506606 CHEMBL1088324 DB03380 L-tyrosinamide BE0004370 BPHL Q86WA6 BPHL_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tyrosine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Cyclic; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic" [H][C@](N)(CC1=CC=C(O)C=C1)C(N)=O 46507172 DB03382 S-oxy-L-cysteine BE0002148 PREP P48147 PPCE_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](N)(CS=O)C(O)=O 46509121 DB03382 S-oxy-L-cysteine BE0002390 SOD1 P00441 SODC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](N)(CS=O)C(O)=O 46509121 DB03384 Fica BE0001826 CASP7 P55210 CASP7_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolecarboxamides and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives FC1=CC2=C(NC(=C2)C(=O)NCCS)C=C1 46506644 Federal_Insurance_Contributions_Act_tax DB03385 4-Methylimidazole BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Imidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles CC1=CNC=N1 46508375 4-Methylimidazole CHEMBL1230309 DB03385 4-Methylimidazole BE0004467 MB P02144 MYG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Imidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles CC1=CNC=N1 46508375 4-Methylimidazole CHEMBL1230309 DB03385 4-Methylimidazole BE0003626 CA5A P35218 CAH5A_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Imidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles CC1=CNC=N1 46508375 4-Methylimidazole CHEMBL1230309 DB03389 alpha-D-Xylopyranose BE0004338 LCT P09848 LPH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pentoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O 46506819 DB03393 Sanglifehrin A BE0001014 PPIA P62937 PPIA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Cyclic peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@]12CCCN(N1)C(=O)[C@H](CC1=CC(O)=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CCC(C)=O)[C@H](O)[C@@H](C)[C@@H](O)\C=C\C=C\C[C@H](OC2=O)C(\C)=C\C=C\CC[C@H](C)[C@@H](O)C[C@@H]1O[C@@]2(NC(=O)[C@@H](CC)C[C@@H]2C)[C@@H](C)[C@@H](O)[C@H]1C)C(C)C 46505741 CHEMBL410807 DB03395 Enalkiren BE0000270 REN P00797 RENI_HUMAN inhibitor 11752352; 1705633 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Glassman HN, Kleinert HD, Boger RS, Moyse DM, Griffiths AN, Luther RR: Clinical pharmacology of enalkiren, a novel, dipeptide renin inhibitor. J Cardiovasc Pharmacol. 1990;16 Suppl 4:S76-81." Experimental Hybrid peptides Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides "Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Enzyme Inhibitors; Oligopeptides; Peptides; Amino Acids, Peptides, and Proteins; Renin Inhibitors" COC1=CC=C(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)C=C1 46505948 D03738 DNC000604 CHEMBL300337 DB03396 "(2R,3R,4S,5R,6E)-3,4,5-Trihydroxy-N-[(3S,6R)-6-hydroxy-2-oxo-3-azepanyl]-2-methoxy-8,8-dimethyl-6-nonenamide" BE0001534 METAP2 P50579 MAP2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental N-acyl-alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H]N([C@H]1CC[C@@H](O)CN([H])C1=O)C(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)(C)C 46507692 DB03397 Uridine-Diphosphate-N-Acetylglucosamine BE0001429 UAP1 Q16222 UAP1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Pyrimidine nucleotide sugars "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars" CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O 46506870 CHEMBL388154 DB03397 Uridine-Diphosphate-N-Acetylglucosamine BE0004519 MGAT1 P26572 MGAT1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrimidine nucleotide sugars "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars" CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O 46506870 CHEMBL388154 DB03399 Ethyl Isocyanide BE0004467 MB P02144 MYG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Nitriles Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Organic cyanides CC[N+]#C 46504585 DB03401 "1D-myo-inositol 1,4,5-trisphosphate" BE0002654 CYTH2 Q99418 CYH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Inositol Phosphates; Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols; Inositol 1,4,5-Trisphosphate" O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O 46506346 CHEMBL279107 DB03401 "1D-myo-inositol 1,4,5-trisphosphate" BE0004452 EPN1 Q9Y6I3 EPN1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Inositol Phosphates; Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols; Inositol 1,4,5-Trisphosphate" O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O 46506346 CHEMBL279107 DB03401 "1D-myo-inositol 1,4,5-trisphosphate" BE0004490 PLCD1 P51178 PLCD1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Inositol Phosphates; Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols; Inositol 1,4,5-Trisphosphate" O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O 46506346 CHEMBL279107 DB03401 "1D-myo-inositol 1,4,5-trisphosphate" BE0004516 RDX P35241 RADI_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Inositol Phosphates; Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols; Inositol 1,4,5-Trisphosphate" O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O 46506346 CHEMBL279107 DB03401 "1D-myo-inositol 1,4,5-trisphosphate" BE0004593 SPTBN1 Q01082 SPTB2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Inositol Phosphates; Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols; Inositol 1,4,5-Trisphosphate" O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O 46506346 CHEMBL279107 DB03401 "1D-myo-inositol 1,4,5-trisphosphate" BE0004522 ITPR1 Q14643 ITPR1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Inositol Phosphates; Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols; Inositol 1,4,5-Trisphosphate" O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O 46506346 CHEMBL279107 DB03401 "1D-myo-inositol 1,4,5-trisphosphate" BE0001627 ITPKA P23677 IP3KA_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Inositol Phosphates; Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols; Inositol 1,4,5-Trisphosphate" O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O 46506346 CHEMBL279107 DB03403 Cytidine-5'-Monophosphate BE0001480 UCK2 Q9BZX2 UCK2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Pyrimidine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides" "Pyrimidine Nucleotides; Ribonucleotides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Cytosine Nucleotides" NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O 46505057 CHEMBL307679 DB03408 gamma-Glutamylcysteine BE0000185 GSS P48637 GSHB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Oligopeptides; Amino Acids, Peptides, and Proteins; Peptides" N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O "Hyperinsulinism-Hyperammonemia Syndrome; gamma-Glutamyltranspeptidase Deficiency; gamma-Glutamyltransferase Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Glutathione Synthetase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Glutamate Metabolism; Glutathione Metabolism; Homocarnosinosis; beta-Mercaptolactate-Cysteine Disulfiduria; Cystinosis, Ocular Nonnephropathic; 2-Hydroxyglutric Aciduria (D and L Form); 5-Oxoprolinase Deficiency; 5-Oxoprolinuria; Cysteine Metabolism" disease; metabolic 46506032 Gamma-Glutamylcysteine CHEMBL460831 DB03414 5-Thio-a/B-D-Mannopyranosylamine BE0003505 MAN2A1 Q16706 MA2A1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thianes Organic compounds; Organoheterocyclic compounds; Thianes [H][C@]1(N)S[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O 46506273 DB03415 3-thiaoctanoyl-CoA BE0001745 ACADM P11310 ACADM_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acyl CoAs Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 46506430 DB03419 Uracil BE0000960 DPYD Q12882 DPYD_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Pyrimidines; Fluorouracil and prodrugs O=C1NC=CC(=O)N1 "Carnosinuria, Carnosinemia; beta-Alanine Metabolism; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); UMP Synthase Deficiency (Orotic Aciduria); Dihydropyrimidinase Deficiency; GABA-Transaminase Deficiency; Ureidopropionase Deficiency; beta-Ureidopropionase Deficiency; Pyrimidine Metabolism" disease; metabolic 46504697 D00027 Uracil CHEMBL566 10995 DB03419 Uracil BE0004582 UCKL1 Q9NWZ5 UCKL1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidinones; Pyrimidines; Fluorouracil and prodrugs O=C1NC=CC(=O)N1 "Carnosinuria, Carnosinemia; beta-Alanine Metabolism; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); UMP Synthase Deficiency (Orotic Aciduria); Dihydropyrimidinase Deficiency; GABA-Transaminase Deficiency; Ureidopropionase Deficiency; beta-Ureidopropionase Deficiency; Pyrimidine Metabolism" disease; metabolic 46504697 D00027 Uracil CHEMBL566 10995 DB03424 Ubenimex BE0001680 LTA4H P09960 LKHA4_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational Hybrid peptides Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides "Protease Inhibitors; Amino Acids; Anti-Infective Agents; Enzyme Inhibitors; Immunologic Factors; Aminopeptidases, antagonists & inhibitors; Amino Acids, Branched-Chain; Anti-Bacterial Agents; Adjuvants, Immunologic; Anti-HIV Agents; Antibiotics, Antineoplastic; Amino Acids, Peptides, and Proteins" CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(O)=O 46505598 Ubenimex CHEMBL29292 DB03425 "2s,4r-4-Methylglutamate" BE0000826 GRIK2 Q13002 GRIK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Acidic; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic" [H][C@@](C)(C[C@]([H])(N)C(O)=O)C([O-])=O 46508238 DB03428 SU9516 BE0001072 CDK2 P24941 CDK2_HUMAN inhibitor 17139284; 17016423; 10592235; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines "Heterocyclic Compounds, Fused-Ring" COC1=CC=C2NC(=O)\C(=C/C3=CN=CN3)C2=C1 46509014 DNC001389 CHEMBL258805 DB03428 SU9516 BE0001082 CDK1 P06493 CDK1_HUMAN binder 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines "Heterocyclic Compounds, Fused-Ring" COC1=CC=C2NC(=O)\C(=C/C3=CN=CN3)C2=C1 46509014 DNC001389 CHEMBL258805 DB03430 (S)-4-hydroxymandelonitrile BE0004111 LCTL Q6UWM7 LCTL_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-hydroxy-2-unsubstituted benzenoids Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids O[C@H](C#N)C1=CC=C(O)C=C1 46509050 DB03434 3-(N-morpholino)propanesulfonic acid BE0001926 GNLY P22749 GNLY_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Morpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines Buffers; Oxazines OS(=O)(=O)CCCN1CCOCC1 46506417 MOPS CHEMBL1234443 DB03435 Uridine-5'-Diphosphate BE0000214 ABO P16442 BGAT_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Pyrimidine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides" O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O "Krabbe Disease; Acetaminophen Metabolism Pathway; Fabry Disease; Etoposide Action Pathway; Amino Sugar Metabolism; Codeine Action Pathway; Lamivudine Metabolism Pathway; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hereditary Coproporphyria (HCP); Sphingolipid Metabolism; Salla Disease/Infantile Sialic Acid Storage Disease; Glycogenosis, Type IV. Amylopectinosis, Anderson Disease; Porphyrin Metabolism; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Tamoxifen Action Pathway; Celecoxib Action Pathway; Gaucher Disease; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Valproic Acid Metabolism Pathway; Androgen and Estrogen Metabolism; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Glycogenosis, Type VI. Hers Disease; Aromatase Deficiency; Starch and Sucrose Metabolism; Sorafenib Metabolism Pathway; Galactose Metabolism" drug_metabolism; disease; metabolic; drug_action 46505736 CHEMBL130266 DB03435 Uridine-5'-Diphosphate BE0001242 B3GAT1 Q9P2W7 B3GA1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Pyrimidine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides" O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O "Krabbe Disease; Acetaminophen Metabolism Pathway; Fabry Disease; Etoposide Action Pathway; Amino Sugar Metabolism; Codeine Action Pathway; Lamivudine Metabolism Pathway; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hereditary Coproporphyria (HCP); Sphingolipid Metabolism; Salla Disease/Infantile Sialic Acid Storage Disease; Glycogenosis, Type IV. Amylopectinosis, Anderson Disease; Porphyrin Metabolism; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Tamoxifen Action Pathway; Celecoxib Action Pathway; Gaucher Disease; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Valproic Acid Metabolism Pathway; Androgen and Estrogen Metabolism; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Glycogenosis, Type VI. Hers Disease; Aromatase Deficiency; Starch and Sucrose Metabolism; Sorafenib Metabolism Pathway; Galactose Metabolism" drug_metabolism; disease; metabolic; drug_action 46505736 CHEMBL130266 DB03435 Uridine-5'-Diphosphate BE0004498 GYG1 P46976 GLYG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrimidine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides" O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O "Krabbe Disease; Acetaminophen Metabolism Pathway; Fabry Disease; Etoposide Action Pathway; Amino Sugar Metabolism; Codeine Action Pathway; Lamivudine Metabolism Pathway; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hereditary Coproporphyria (HCP); Sphingolipid Metabolism; Salla Disease/Infantile Sialic Acid Storage Disease; Glycogenosis, Type IV. Amylopectinosis, Anderson Disease; Porphyrin Metabolism; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Tamoxifen Action Pathway; Celecoxib Action Pathway; Gaucher Disease; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Valproic Acid Metabolism Pathway; Androgen and Estrogen Metabolism; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Glycogenosis, Type VI. Hers Disease; Aromatase Deficiency; Starch and Sucrose Metabolism; Sorafenib Metabolism Pathway; Galactose Metabolism" drug_metabolism; disease; metabolic; drug_action 46505736 CHEMBL130266 DB03442 Acid yellow 54 free acid BE0001240 ATIC P31939 PUR9_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 4-sulfobenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonic acids and derivatives Sulfur Acids; Arylsulfonic Acids; Arylsulfonates; Sulfur Compounds; Sulfonic Acids; Benzene Derivatives CC1=NN(C(O)=C1\N=N\C1=CC(=CC=C1C(O)=O)S(O)(=O)=O)C1=C(C)C=C(C=C1)S(O)(=O)=O 46507723 DB03444 6-bromoindirubin-3'-oxime BE0001065 GSK3B P49841 GSK3B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines "Heterocyclic Compounds, Fused-Ring; Amines; Hydroxylamines; Glycogen Synthase Kinase 3, antagonists & inhibitors" O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=CC(Br)=CC=C12 46507596 CHEMBL409450 DB03449 N-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenethylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines [H]N([H])C(=N/C1=CC=C(CCN([H])CC2=CC(Cl)=CC=C2)C=C1)\C1=CC=CS1 46507267 CHEMBL293212 DB03449 N-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide BE0000067 NOS1 P29475 NOS1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenethylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines [H]N([H])C(=N/C1=CC=C(CCN([H])CC2=CC(Cl)=CC=C2)C=C1)\C1=CC=CS1 46507267 CHEMBL293212 DB03451 Lexacalcitol BE0000779 VDR P11473 VDR_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives Cholestanes; Fused-Ring Compounds; Immunosuppressive Agents; Sterols; Vitamins; Vitamins (Fat Soluble); Immunologic Factors; Vitamin D and Analogues; Lipids; Cholestenes; Steroids; Antineoplastic Agents; Membrane Lipids; Secosteroids [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@@H](C)OCCCC(O)(CC)CC 46505581 CHEMBL432600 DB03459 Sparfosic acid BE0002227 CAD P27708 PYR1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aspartic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Anti-Infective Agents; Organophosphonates; Enzyme Inhibitors; Organophosphorus Compounds; Antimetabolites; Amino Acids, Acidic; Acids, Acyclic; Noxae; Toxic Actions; Excitatory Amino Acids; Acetates; Amino Acids, Peptides, and Proteins; Antineoplastic Agents; Amino Acids, Dicarboxylic" [H]N([C@@H](CC(O)=O)C(O)=O)C(=O)CP(O)(O)=O 46507931 DNC000976 CHEMBL504802 DB03461 Nicotinamide adenine dinucleotide phosphate BE0000622 AKR1C2 P52895 AK1C2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46507953 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL295069 DB03461 Nicotinamide adenine dinucleotide phosphate BE0000008 NNT Q13423 NNTM_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46507953 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL295069 DB03461 Nicotinamide adenine dinucleotide phosphate BE0000329 HSD11B1 P28845 DHI1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46507953 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL295069 DB03461 Nicotinamide adenine dinucleotide phosphate BE0001251 IDH1 O75874 IDHC_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46507953 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL295069 DB03461 Nicotinamide adenine dinucleotide phosphate BE0000067 NOS1 P29475 NOS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46507953 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL295069 DB03461 Nicotinamide adenine dinucleotide phosphate BE0001089 G6PD P11413 G6PD_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46507953 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL295069 DB03461 Nicotinamide adenine dinucleotide phosphate BE0000330 DHFR P00374 DYR_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46507953 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL295069 DB03461 Nicotinamide adenine dinucleotide phosphate BE0000617 MTHFD1 P11586 C1TC_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46507953 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL295069 DB03461 Nicotinamide adenine dinucleotide phosphate BE0000592 AKR1C3 P42330 AK1C3_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46507953 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL295069 DB03461 Nicotinamide adenine dinucleotide phosphate BE0000574 HMGCR P04035 HMDH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46507953 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL295069 DB03461 Nicotinamide adenine dinucleotide phosphate BE0002364 POR P16435 NCPR_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46507953 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL295069 DB03461 Nicotinamide adenine dinucleotide phosphate BE0000604 ME1 P48163 MAOX_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46507953 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL295069 DB03461 Nicotinamide adenine dinucleotide phosphate BE0000589 MDH1 P40925 MDHC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46507953 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL295069 DB03461 Nicotinamide adenine dinucleotide phosphate BE0004352 AKR1A1 P14550 AK1A1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46507953 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL295069 DB03461 Nicotinamide adenine dinucleotide phosphate BE0003795 PTGR1 Q14914 PTGR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46507953 Nicotinamide_adenine_dinucleotide_phosphate CHEMBL295069 DB03466 BMS184394 BE0000144 RARG P13631 RARG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenecarboxylic acids Organic compounds; Benzenoids; Naphthalenes; Naphthalenecarboxylic acids and derivatives CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@@H](O)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O 46506504 CHEMBL81273 DB03467 Naringenin BE0000123 ESR1 P03372 ESR1_HUMAN 10397250; 9751507 "Hunter DS, Hodges LC, Vonier PM, Fuchs-Young R, Gottardis MM, Walker CL: Estrogen receptor activation via activation function 2 predicts agonism of xenoestrogens in normal and neoplastic cells of the uterine myometrium. Cancer Res. 1999 Jul 1;59(13):3090-9.@@Kuiper GG, Lemmen JG, Carlsson B, Corton JC, Safe SH, van der Saag PT, van der Burg B, Gustafsson JA: Interaction of estrogenic chemicals and phytoestrogens with estrogen receptor beta. Endocrinology. 1998 Oct;139(10):4252-63." Experimental Flavanones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans "Anti-Ulcer Agents; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; BCRP/ABCG2 Inhibitors; Pyrans; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Hormone Antagonists; Estrogen Antagonists; Gastrointestinal Agents; Flavonoids; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1 46508043 PA151958361 Naringenin CHEMBL9352 1368173 DB03467 Naringenin BE0009091 KANSL3 Q9P2N6 KANL3_HUMAN 24412302 "Priscilla DH, Roy D, Suresh A, Kumar V, Thirumurugan K: Naringenin inhibits alpha-glucosidase activity: a promising strategy for the regulation of postprandial hyperglycemia in high fat diet fed streptozotocin induced diabetic rats. Chem Biol Interact. 2014 Mar 5;210:77-85. doi: 10.1016/j.cbi.2013.12.014. Epub 2014 Jan 8." Experimental Flavanones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans "Anti-Ulcer Agents; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; BCRP/ABCG2 Inhibitors; Pyrans; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Hormone Antagonists; Estrogen Antagonists; Gastrointestinal Agents; Flavonoids; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1 46508043 PA151958361 Naringenin CHEMBL9352 1368173 DB03467 Naringenin BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Experimental Flavanones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans "Anti-Ulcer Agents; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; BCRP/ABCG2 Inhibitors; Pyrans; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Hormone Antagonists; Estrogen Antagonists; Gastrointestinal Agents; Flavonoids; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1 46508043 PA151958361 Naringenin CHEMBL9352 1368173 DB03467 Naringenin BE0002090 CYP19A1 P11511 CP19A_HUMAN inhibitor 9435150 "Kao YC, Zhou C, Sherman M, Laughton CA, Chen S: Molecular basis of the inhibition of human aromatase (estrogen synthetase) by flavone and isoflavone phytoestrogens: A site-directed mutagenesis study. Environ Health Perspect. 1998 Feb;106(2):85-92." Experimental Flavanones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans "Anti-Ulcer Agents; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; BCRP/ABCG2 Inhibitors; Pyrans; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Hormone Antagonists; Estrogen Antagonists; Gastrointestinal Agents; Flavonoids; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1 46508043 PA151958361 Naringenin CHEMBL9352 1368173 DB03467 Naringenin BE0000792 ESR2 Q92731 ESR2_HUMAN partial agonist 9751507 "Kuiper GG, Lemmen JG, Carlsson B, Corton JC, Safe SH, van der Saag PT, van der Burg B, Gustafsson JA: Interaction of estrogenic chemicals and phytoestrogens with estrogen receptor beta. Endocrinology. 1998 Oct;139(10):4252-63." Experimental Flavanones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans "Anti-Ulcer Agents; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; BCRP/ABCG2 Inhibitors; Pyrans; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Hormone Antagonists; Estrogen Antagonists; Gastrointestinal Agents; Flavonoids; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1 46508043 PA151958361 Naringenin CHEMBL9352 1368173 DB03478 2'-O-Acetyl Adenosine-5-Diphosphoribose BE0003362 SIRT5 Q9NXA8 SIR5_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleotide sugars "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars" [H][C@]1(O)O[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)[C@@]([H])(O)[C@@]1([H])OC(C)=O 46505222 DB03483 (4S)-5-[[(2S)-1-[[(2S)-1-Amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-4-benzamido-5-oxopentanoic acid BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H]N([H])C(=O)[C@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)N([H])C(=O)[C@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)N([H])C(=O)[C@H](CCC(O)=O)N([H])C(=O)C1=CC=CC=C1 46508067 DB03490 "3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole" BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyridines and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives C1C2=C(C=CC=C2)C2=NNC(=C12)C1=CC=NC=C1 46506990 CHEMBL1234009 DB03496 Alvocidib BE0002150 PYGB P11216 PYGB_HUMAN 11368340 "Kaiser A, Nishi K, Gorin FA, Walsh DA, Bradbury EM, Schnier JB: The cyclin-dependent kinase (CDK) inhibitor flavopiridol inhibits glycogen phosphorylase. Arch Biochem Biophys. 2001 Feb 15;386(2):179-87." Experimental; Investigational Flavones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "BCRP/ABCG2 Substrates; Growth Inhibitors; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Growth Substances; UGT1A1 Substrates; Pyrans; Antineoplastic Agents; Protein Kinase Inhibitors" CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl 46507266 PA452627 DCL000422 Alvocidib CHEMBL428690 DB03496 Alvocidib BE0001913 CDK7 P50613 CDK7_HUMAN 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental; Investigational Flavones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "BCRP/ABCG2 Substrates; Growth Inhibitors; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Growth Substances; UGT1A1 Substrates; Pyrans; Antineoplastic Agents; Protein Kinase Inhibitors" CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl 46507266 PA452627 DCL000422 Alvocidib CHEMBL428690 DB03496 Alvocidib BE0002207 CDK9 P50750 CDK9_HUMAN 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental; Investigational Flavones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "BCRP/ABCG2 Substrates; Growth Inhibitors; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Growth Substances; UGT1A1 Substrates; Pyrans; Antineoplastic Agents; Protein Kinase Inhibitors" CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl 46507266 PA452627 DCL000422 Alvocidib CHEMBL428690 DB03496 Alvocidib BE0001082 CDK1 P06493 CDK1_HUMAN 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental; Investigational Flavones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "BCRP/ABCG2 Substrates; Growth Inhibitors; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Growth Substances; UGT1A1 Substrates; Pyrans; Antineoplastic Agents; Protein Kinase Inhibitors" CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl 46507266 PA452627 DCL000422 Alvocidib CHEMBL428690 DB03496 Alvocidib BE0002212 CDK6 Q00534 CDK6_HUMAN 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental; Investigational Flavones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "BCRP/ABCG2 Substrates; Growth Inhibitors; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Growth Substances; UGT1A1 Substrates; Pyrans; Antineoplastic Agents; Protein Kinase Inhibitors" CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl 46507266 PA452627 DCL000422 Alvocidib CHEMBL428690 DB03496 Alvocidib BE0000767 EGFR P00533 EGFR_HUMAN 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental; Investigational Flavones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "BCRP/ABCG2 Substrates; Growth Inhibitors; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Growth Substances; UGT1A1 Substrates; Pyrans; Antineoplastic Agents; Protein Kinase Inhibitors" CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl 46507266 PA452627 DCL000422 Alvocidib CHEMBL428690 DB03496 Alvocidib BE0002224 CDK8 P49336 CDK8_HUMAN 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental; Investigational Flavones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "BCRP/ABCG2 Substrates; Growth Inhibitors; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Growth Substances; UGT1A1 Substrates; Pyrans; Antineoplastic Agents; Protein Kinase Inhibitors" CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl 46507266 PA452627 DCL000422 Alvocidib CHEMBL428690 DB03496 Alvocidib BE0001072 CDK2 P24941 CDK2_HUMAN inhibitor 18465538; 11752352 "Zvelebil MJ: Flavopiridol Hoechst AG. IDrugs. 1998 Jun;1(2):241-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental; Investigational Flavones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "BCRP/ABCG2 Substrates; Growth Inhibitors; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Growth Substances; UGT1A1 Substrates; Pyrans; Antineoplastic Agents; Protein Kinase Inhibitors" CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl 46507266 PA452627 DCL000422 Alvocidib CHEMBL428690 DB03499 D-Malic acid BE0000148 ME2 P23368 MAOM_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Beta hydroxy acids and derivatives Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives O[C@H](CC(O)=O)C(O)=O 46504723 CHEMBL225986 DB03499 D-Malic acid BE0004459 CS O75390 CISY_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Beta hydroxy acids and derivatives Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives O[C@H](CC(O)=O)C(O)=O 46504723 CHEMBL225986 DB03501 Galactose-uridine-5'-diphosphate BE0000214 ABO P16442 BGAT_HUMAN 12972418 "Nguyen HP, Seto NO, Cai Y, Leinala EK, Borisova SN, Palcic MM, Evans SV: The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases. J Biol Chem. 2003 Dec 5;278(49):49191-5. Epub 2003 Sep 11." Experimental Pyrimidine nucleotide sugars "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars" "Pyrimidine Nucleotides; Uridine Diphosphate Sugars; Nucleoside Diphosphate Sugars; Glycosides; Ribonucleotides; Carbohydrates; Pyrimidines; Uridine Diphosphate; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Uracil Nucleotides" OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1O 46507114 CHEMBL439009 DB03501 Galactose-uridine-5'-diphosphate BE0000259 B4GALT1 P15291 B4GT1_HUMAN 12051854; 10592235 "Ramakrishnan B, Balaji PV, Qasba PK: Crystal structure of beta1,4-galactosyltransferase complex with UDP-Gal reveals an oligosaccharide acceptor binding site. J Mol Biol. 2002 Apr 26;318(2):491-502.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrimidine nucleotide sugars "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars" "Pyrimidine Nucleotides; Uridine Diphosphate Sugars; Nucleoside Diphosphate Sugars; Glycosides; Ribonucleotides; Carbohydrates; Pyrimidines; Uridine Diphosphate; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Uracil Nucleotides" OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1O 46507114 CHEMBL439009 DB03504 "9-Butyl-8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9h-Purin-6-Ylamine" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives CCCCN1C(CC2=CC(OC)=C(OC)C(OC)=C2Cl)=NC2=C(N)N=CN=C12 46508678 CHEMBL112896 DB03507 "6-[3-(4-Morpholinyl)Propyl]-2-(3-Nitrophenyl)-5-Thioxo-5,6,-Dihydro-7h-Thienol[2',3':4,5]Pyrrolo[1,2-C]Imidazol-7-One" BE0001139 TNFRSF1A P19438 TNR1A_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Nitrobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes [O-][N+](=O)C1=CC(=CC=C1)C1=CC2=C(S1)C=C1N2C(=S)N(CCCN2CCOCC2)C1=O 46507367 DB03509 2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide BE0001717 PARP1 P09874 PARP1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinoxalines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Poly(ADP-ribose) Polymerase Inhibitors; Antineoplastic Agents" NC(=O)C1=CC=CC2=NC=C(N=C12)C1=CC=C(Cl)C=C1 46505127 DB03510 6-O-Phosphoryl Inosine Monophosphate BE0002231 ADSSL1 Q8N142 PURA1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" [H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2N=CN=C3OP(O)(O)=O)[C@]([H])(O)[C@]1([H])O 46506764 PA130230922 DB03516 Eniluracil BE0003539 AOX1 Q06278 AOXA_HUMAN 8161345 "Porter DJ, Harrington JA, Almond MR, Lowen GT, Zimmerman TP, Spector T: 5-ethynyl-2(1H)-pyrimidinone: aldehyde oxidase-activation to 5-ethynyluracil, a mechanism-based inactivator of dihydropyrimidine dehydrogenase. Biochem Pharmacol. 1994 Mar 29;47(7):1165-71." Investigational Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Enzyme Inhibitors; Pyrimidines; Pyrimidinones O=C1NC=C(C#C)C(=O)N1 175426856 D03998 CHEMBL355200 DB03516 Eniluracil BE0002204 XDH P47989 XDH_HUMAN inhibitor 7961725 Porter DJ: Reaction of 5-ethynyluracil with rat liver xanthine oxidase. J Biol Chem. 1994 Nov 11;269(45):27932-40. Investigational Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Enzyme Inhibitors; Pyrimidines; Pyrimidinones O=C1NC=C(C#C)C(=O)N1 175426856 D03998 CHEMBL355200 DB03516 Eniluracil BE0000960 DPYD Q12882 DPYD_HUMAN 16466986 "Czito BG, Hong TJ, Cohen DP, Petros WP, Tyler DS, Pappas TN, Yu D, Lee CG, Lockhart AC, Morse MA, Fernando N, Hurwitz HI: A phase I study of eniluracil/5-FU in combination with radiation therapy for potentially resectable and/or unresectable cancer of the pancreas and distal biliary tract. Cancer Invest. 2006 Feb;24(1):9-17." Investigational Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Enzyme Inhibitors; Pyrimidines; Pyrimidinones O=C1NC=C(C#C)C(=O)N1 175426856 D03998 CHEMBL355200 DB03525 RU79073 BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydroquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Hydroquinolines OP(O)(=O)OC1=C2NCCCC2=CC=C1 46508465 CHEMBL358860 DB03526 AL5927 BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles COC1=CC=C(CNS(=O)(=O)C2=CC=C(S2)S(N)(=O)=O)C=C1 46508898 DB03531 Flavin-adenine dinucleotide-N5-isobutyl ketone BE0004141 DAO P14920 OXDA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" CC(C)C(=O)N1C2=C(C=C(C)C(C)=C2)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[N+]2=CN=C3C2=NC=NC3=N)C2=C1C([O-])=NC(=O)N2 46508848 DB03535 Z-Pro-Prolinal BE0002148 PREP P48147 PPCE_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Oligopeptides; Amino Acids, Peptides, and Proteins; Peptides" [H][C@]1(CCCN1C(=O)[C@]1([H])CCCN1C(=O)OCC1=CC=CC=C1)C=O 46507956 CHEMBL79993 DB03542 L-Myo-Inositol-1-Phosphate BE0001152 IMPA1 P29218 IMPA1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols [H][C@]1(O)[C@]([H])(O)[C@]([H])(O)[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(O)[C@]1([H])O 46507945 DB03546 "N-({4-[(1R)-4-[(2R,4S,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-glutamic acid" BE0000882 GART P22102 PUR2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental [H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)[C@@]([H])(CCCC1C(O)=N[C@]([H])(N)N[C@]1([H])N)C(O)(O)C(F)(F)F)C(O)=O 46505325 DB03551 "(3R,4R)-3-Hydroxy-4-(hydroxymethyl)-1-[(4-oxo-4,4a,5,7a-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidinium" BE0000250 PNP P00491 PNPH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H]N1C=C(C[N+]2([H])C[C@H](O)[C@@H](CO)C2)C2N=CN([H])C(=O)C12 46506720 DB03554 5-Iodouracil BE0000960 DPYD Q12882 DPYD_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Halopyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Pyrimidines; Pyrimidinones IC1=CNC(=O)NC1=O 46507512 CHEMBL1173 DB03557 4-[[(2S)-1-[[6-[(1-Amino-1-oxo-3-sulfanylpropan-2-yl)amino]-6-oxohexyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[[2-[4-[difluoro(phosphono)methyl]phenyl]acetyl]amino]-4-oxobutanoic acid BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental NC(=O)C(CS)NC(=O)CCCCCNC(=O)[C@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)NC(=O)C(CC(O)=O)NC(=O)CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O 46505110 DB03559 Cyclohexylformamide BE0000465 ADH1C P00326 ADH1G_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Secondary carboxylic acid amides Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives "Formates; Acids, Acyclic; Amides; Alcohol Dehydrogenase, antagonists & inhibitors" [H]C(=O)NC1CCCCC1 46505617 CHEMBL46778 DB03559 Cyclohexylformamide BE0000360 ADH4 P08319 ADH4_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Secondary carboxylic acid amides Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives "Formates; Acids, Acyclic; Amides; Alcohol Dehydrogenase, antagonists & inhibitors" [H]C(=O)NC1CCCCC1 46505617 CHEMBL46778 DB03565 1-O-Octyl-2-Heptylphosphonyl-Sn-Glycero-3-Phosphoethanolamine BE0003997 PLA2G1B P04054 PA21B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Glycerophosphoethanolamines Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoethanolamines [H][C@@](COCCCCCCCC)(COP(O)(=O)OCCN)OP(O)(=O)CCCCCCC 46504601 CHEMBL1159973 DB03566 Spermidine BE0001979 TXNRD1 Q16881 TRXR1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dialkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines OCT1 substrates; Amines; Biogenic Amines; Polyamines; Biogenic Polyamines NCCCCNCCCN "Methionine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Methionine Adenosyltransferase Deficiency; Cystathionine beta-Synthase Deficiency; Glycine N-Methyltransferase Deficiency; Spermidine and Spermine Biosynthesis; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Homocystinuria-Megaloblastic Anemia Due to Defect in Cobalamin Metabolism, cblG Complementation Type; Hypermethioninemia" disease; metabolic 46506086 Spermidine CHEMBL19612 1483262 DB03568 Butyric Acid BE0002180 BCHE P06276 CHLE_HUMAN Experimental; Investigational Straight chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Fatty Acids, Volatile; Lipids; Neurotransmitter Agents; Acids, Acyclic; Fatty Acids; Histamine Agents; Butyrates" CCCC(O)=O Butyrate Metabolism; Fatty Acid Biosynthesis metabolic 46505927 Butyric_acid CHEMBL14227 1362696 DB03572 FR230513 BE0002214 ADA P00813 ADA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenes Organic compounds; Benzenoids; Naphthalenes [H][C@](CO)(CCC1=CC=CC2=C1C=CC=C2)N1C=NC(=C1)C(N)=O 46508986 DB03575 Phencyclidine BE0000641 GRIN3A Q8TCU5 NMD3A_HUMAN antagonist 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Illicit Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Inhibitors; Piperidines; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Excitatory Amino Acid Antagonists; Hallucinogens; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Phencyclidine, antagonists & inhibitors; NMDA Receptor Antagonists" C1CCN(CC1)C1(CCCCC1)C1=CC=CC=C1 46508889 PA128406980 Phencyclidine CHEMBL275528 DB03581 Glucose-6-Phosphate BE0001199 GPI P06744 G6PI_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sugar Phosphates; Hexosephosphates; Carbohydrates; Glucosephosphates [H]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O 46508559 Glucose_6-phosphate 1541246 DB03583 "(2E,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-one" BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines [H]N1C(=O)\C(C2=C1C=CC(=C2)S(=O)(=O)N1CCC(O)CC1)=C1/N([H])C2=CC=CC=C2[C@]1(C)O 46506569 DB03587 Pyruvaldehyde BE0003997 PLA2G1B P04054 PA21B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha ketoaldehydes Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Aldehydes; Glyoxal CC(=O)C=O "Leigh Syndrome; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Pyruvate Metabolism; Primary Hyperoxaluria II, PH2; 3-Phosphoglycerate Dehydrogenase Deficiency; Pyruvate Kinase Deficiency; Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Spermidine and Spermine Biosynthesis; Sarcosinemia; Non-Ketotic Hyperglycinemia; Dimethylglycine Dehydrogenase Deficiency; Pyruvate Dehydrogenase Complex Deficiency; Pyruvaldehyde Degradation; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency)" disease; metabolic 46509036 Methylglyoxal CHEMBL170721 1373350 DB03588 Diphenylacetic acid BE0000939 CTSB P07858 CATB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Phenylacetates; Acids, Carbocyclic" OC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 46507444 CHEMBL1232181 DB03589 Mesoxalic acid BE0000148 ME2 P23368 MAOM_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Acids, Acyclic; Dicarboxylic Acids" OC(=O)C(=O)C(O)=O 46504627 Mesoxalic_acid DB03591 RU82209 BE0000838 SRC P12931 SRC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CC(=O)N[C@@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O 46507142 CHEMBL1160756 DB03593 7-methyl-5'-guanylic acid BE0001215 DCPS Q96C86 DCPS_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "RNA Caps; Heterocyclic Compounds, Fused-Ring; Purines; RNA, Messenger; Purine Nucleotides; Ribonucleotides; Guanine Nucleotides; Nucleic Acids; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" C[N+]1=CN([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2 46504587 CHEMBL1232939 DB03594 "1,2,4-Triazole" BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Triazoles Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles N1C=NC=N1 46507691 "1,2,4-Triazole" CHEMBL15571 DB03596 N-[2-(1h-Indol-5-Yl)-Butyl]-4-Sulfamoyl-Benzamide BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides [H][C@@](CC)(CNC(=O)C1=CC=C(C=C1)S(N)(=O)=O)C1=CC2=C(NC=C2)C=C1 46508485 DB03597 gamma-Glutamyl[S-(2-iodobenzyl)cysteinyl]glycine BE0000182 PDE5A O76074 PDE5A_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSCC1=CC=CC=C1I)C(=O)N([H])CC(O)=O)C(O)=O 46508001 DB03597 gamma-Glutamyl[S-(2-iodobenzyl)cysteinyl]glycine BE0003134 PDE9A O76083 PDE9A_HUMAN Experimental Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSCC1=CC=CC=C1I)C(=O)N([H])CC(O)=O)C(O)=O 46508001 DB03598 "Al-6629, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Methoxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide]" BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides COC1=CC=CC(=C1)N1C(CN2CCOCC2)=CC2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O 46507006 CHEMBL433921 DB03600 Capric acid BE0000215 PPARG P37231 PPARG_HUMAN ligand 24998974 "Zhang L, Ren XM, Wan B, Guo LH: Structure-dependent binding and activation of perfluorinated compounds on human peroxisome proliferator-activated receptor gamma. Toxicol Appl Pharmacol. 2014 Sep 15;279(3):275-83. doi: 10.1016/j.taap.2014.06.020. Epub 2014 Jul 3." Experimental Medium-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Anti-Infective Agents; Antifungal Agents; Lipids; Fatty Acids CCCCCCCCCC(O)=O Fatty Acid Biosynthesis metabolic 46509055 Decanoic_acid CHEMBL107498 22380 DB03604 Tiratricol BE0000315 THRB P10828 THB_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers "Amino Acids; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Amino Acids, Cyclic; Thyroid Products; Agents used to treat hypothyroidism; Thyronines; Hormones; Dermatologicals; NTCP Inhibitors; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Hormones, Hormone Substitutes, and Hormone Antagonists" OC(=O)CC1=CC(I)=C(OC2=CC=C(O)C(I)=C2)C(I)=C1 46504696 Tiratricol CHEMBL41632 13982 DB03606 (S)-Rolipram BE0000487 PDE4B Q07343 PDE4B_HUMAN inhibitor 17139284; 17016423; 10592235; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Phenylpyrrolidines Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines [H][C@@]1(CNC(=O)C1)C1=CC=C(OC)C(OC2CCCC2)=C1 46507984 PA153906323 DNC000017 CHEMBL325795 DB03606 (S)-Rolipram BE0001287 PDE4D Q08499 PDE4D_HUMAN Experimental Phenylpyrrolidines Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines [H][C@@]1(CNC(=O)C1)C1=CC=C(OC)C(OC2CCCC2)=C1 46507984 PA153906323 DNC000017 CHEMBL325795 DB03609 3'-deoxyguanosine BE0000250 PNP P00491 PNPH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine 3'-deoxyribonucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 3'-deoxyribonucleosides" [H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](CO)C[C@H]1O 46508922 CHEMBL73502 DB03612 3-Hydroxybutyryl-Coenzyme A BE0000377 HADH Q16836 HCDH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental 3-hydroxyacyl CoAs Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Thioesters of coenzyme A" CC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 46509071 DB03614 Mecobalamin BE0000734 MTR Q99707 METH_HUMAN cofactor 18491996 "Zhang YF, Ning G: Mecobalamin. Expert Opin Investig Drugs. 2008 Jun;17(6):953-64. doi: 10.1517/13543784.17.6.953." Approved; Investigational Cobalamin derivatives Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids "Vitamins; Heterocyclic Compounds, Fused-Ring; Corrinoids; Antianemic Preparations; Vitamin B Complex; Blood and Blood Forming Organs; Vitamin B12 and Folic Acid" C1(CC[C@@]2([C@@H](CC(N)=O)[C@@]3([C@@]4([N+]5=C([C@H]([C@@]4(CC(N)=O)C)CCC(N)=O)C(C)=C4[N+]6=C(C=C7[N+]8=C([C@H](C7(C)C)CCC(N)=O)C(C)=C2N3[Co-3]568([N+]2=CN([C@H]3O[C@@H]([C@@H](OP(O[C@@H](CN1)C)([O-])=O)[C@H]3O)CO)C1=CC(C)=C(C=C21)C)C)[C@H]([C@@]4(CC(N)=O)C)CCC(N)=O)C)[H])C)=O 781 46506610 D03246 Methylcobalamin CHEMBL2448537 29421 DB03615 Ribostamycin BE0002467 P4HB P07237 PDIA1_HUMAN 11741285 "Horibe T, Nagai H, Sakakibara K, Hagiwara Y, Kikuchi M: Ribostamycin inhibits the chaperone activity of protein disulfide isomerase. Biochem Biophys Res Commun. 2001 Dec 21;289(5):967-72." Approved; Experimental "4,5-disubstituted 2-deoxystreptamines" Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Anti-Infective Agents; Agents that produce neuromuscular block (indirect); Glycosides; Carbohydrates; Anti-Bacterial Agents; Antibacterials for Systemic Use; Nephrotoxic agents; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Aminoglycoside Antibacterials; Antiinfectives for Systemic Use [H][C@@]1(O[C@@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)O[C@H](CO)[C@@H](O)[C@H]1O 46505351 D08478 DNC001211 Ribostamycin CHEMBL221572 DB03619 Deoxycholic acid BE0004053 EFTUD1 Q7Z2Z2 ETUD1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved "Dihydroxy bile acids, alcohols and derivatives" "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" Decreased Cell Membrane Integrity; Fused-Ring Compounds; BSEP/ABCB11 inducers; Bile Acids and Salts; Cholic Acids; Cholanes; Cholagogues and Choleretics; Cytolytic Agent; Dermatologicals; Other Miscellaneous Therapeutic Agents; Steroids; Gastrointestinal Agents [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C 6906 46506360 Deoxycholic_acid CHEMBL406393 3194 DB03619 Deoxycholic acid BE0001777 NR1H4 Q96RI1 NR1H4_HUMAN 13130122 "Fujino T, Une M, Imanaka T, Inoue K, Nishimaki-Mogami T: Structure-activity relationship of bile acids and bile acid analogs in regard to FXR activation. J Lipid Res. 2004 Jan;45(1):132-8. Epub 2003 Sep 16." Approved "Dihydroxy bile acids, alcohols and derivatives" "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" Decreased Cell Membrane Integrity; Fused-Ring Compounds; BSEP/ABCB11 inducers; Bile Acids and Salts; Cholic Acids; Cholanes; Cholagogues and Choleretics; Cytolytic Agent; Dermatologicals; Other Miscellaneous Therapeutic Agents; Steroids; Gastrointestinal Agents [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C 6906 46506360 Deoxycholic_acid CHEMBL406393 3194 DB03621 "L-709,587" BE0000695 FKBP1A P62942 FKB1A_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Macrolide lactams Organic compounds; Phenylpropanoids and polyketides; Macrolide lactams [H]\C(=C(\C)[C@@]1([H])OC(=O)[C@]2([H])CCCCN2C(=O)C(=O)[C@]2(O)O[C@@]([H])([C@]([H])(C[C@@]2([H])C)OC)[C@]([H])(C[C@@]([H])(C)[C@]([H])(O)\C(C)=C([H])\[C@@]([H])(CC)C(=O)C[C@]([H])(O)[C@@]1([H])C)OC)[C@]1([H])CC[C@@]([H])(OC2=CC=C3N(C)C=CC3=C2)[C@@]([H])(C1)OC 46504459 DB03622 "5-[4-(2-Hydroxyethyl)-1-piperidinyl]-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione" BE0001182 MMP8 P22894 MMP8_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" OCCC1CCN(CC1)[C@@]1(C(=O)NC(O)=NC1=O)C1=CC=CC=C1 46507461 CHEMBL1231240 DB03623 "9-(4-Hydroxyphenyl)-2,7-Phenanthroline" BE0001097 MAPK10 P53779 MK10_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines OC1=CC=C(C=C1)C1=CC2=C(C=CC3=C2C=NC=C3)N=C1 46507868 CHEMBL248643 DB03626 "5-Methoxy-1,2-Dimethyl-3-(Phenoxymethyl)Indole-4,7-Dione" BE0001184 NQO1 P15559 NQO1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indoles and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives COC1=CC(=O)C2=C(C(COC3=CC=CC=C3)=C(C)N2C)C1=O 46505527 CHEMBL94277 DB03628 ISO24 BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives CCC1=CC=C(NC(=O)P(O)(O)=O)C=C1 46507046 CHEMBL284362 DB03633 Lpc-Ether BE0001432 GM2A P17900 SAP3_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Monoalkylglycerophosphocholines Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@@](O)(=O)OCC[N+](C)(C)C 46506445 DB03633 Lpc-Ether BE0003997 PLA2G1B P04054 PA21B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Monoalkylglycerophosphocholines Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@@](O)(=O)OCC[N+](C)(C)C 46506445 DB03636 Glycinamide BE0001182 MMP8 P22894 MMP8_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Carboximidic acids Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives; Carboximidic acids "Amino Acids; Amino Acids, Peptides, and Proteins" NCC(N)=O 46506909 Glycinamide CHEMBL86954 DB03645 Phosphonoacetohydroxamic Acid BE0004460 ENO3 P13929 ENOB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Organic phosphonic acids Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids ONC(=O)CP(O)(O)=O 46507225 CHEMBL328944 DB03661 L-cysteic acid BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins" N[C@@H](CS(O)(=O)=O)C(O)=O 46508940 DB03663 "1-[(2-Amino-6,9-Dihydro-1h-Purin-6-Yl)Oxy]-3-Methyl-2-Butanol" BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives CC(C)C(=O)COC1=NC(N)=NC2=C1NC=N2 46507551 CHEMBL272690 DB03666 Zidovudine monophosphate BE0001221 DTYMK P23919 KTHY_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Deoxyribonucleotides; Pyrimidine Nucleotides; Nucleosides; Deoxyribonucleosides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dideoxynucleosides; Pyrimidine Nucleosides" CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O 46506173 CHEMBL257695 DB03670 "2-(Oxalyl-Amino)-4,5,6,7-Tetrahydro-Thieno[2,3-C]Pyridine-3-Carboxylic Acid" BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" OC(=O)C(=O)NC1=C(C(O)=O)C2=C(CNCC2)S1 46504628 CHEMBL139393 DB03672 9-N-Phenylmethylamino-Tacrine BE0002180 BCHE P06276 CHLE_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acridines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines C(NC1=C2C=CC=CC2=NC2=C1CCCC2)C1=CC=CC=C1 46508414 CHEMBL215344 DB03680 Tartronate BE0000148 ME2 P23368 MAOM_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Sugar acids and derivatives Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates OC(C([O-])=O)C([O-])=O 46506347 DB03680 Tartronate BE0000328 ME3 Q16798 MAON_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sugar acids and derivatives Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates OC(C([O-])=O)C([O-])=O 46506347 DB03685 Uridine monophosphate BE0004582 UCKL1 Q9NWZ5 UCKL1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrimidine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides" "Pyrimidine Nucleotides; Ribonucleotides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Uracil Nucleotides" O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O Clomocycline Action Pathway; Rolitetracycline Action Pathway; Dihydropyrimidinase Deficiency; Lactose Synthesis; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Tobramycin Action Pathway; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Azithromycin Action Pathway; Clarithromycin Action Pathway; beta-Ureidopropionase Deficiency; UMP Synthase Deficiency (Orotic Aciduria); Troleandomycin Action Pathway; Amikacin Action Pathway; Streptomycin Action Pathway; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Clindamycin Action Pathway disease; metabolic; drug_action 46506409 Uridine_monophosphate CHEMBL214393 DB03685 Uridine monophosphate BE0000259 B4GALT1 P15291 B4GT1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrimidine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides" "Pyrimidine Nucleotides; Ribonucleotides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Uracil Nucleotides" O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O Clomocycline Action Pathway; Rolitetracycline Action Pathway; Dihydropyrimidinase Deficiency; Lactose Synthesis; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Tobramycin Action Pathway; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Azithromycin Action Pathway; Clarithromycin Action Pathway; beta-Ureidopropionase Deficiency; UMP Synthase Deficiency (Orotic Aciduria); Troleandomycin Action Pathway; Amikacin Action Pathway; Streptomycin Action Pathway; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Clindamycin Action Pathway disease; metabolic; drug_action 46506409 Uridine_monophosphate CHEMBL214393 DB03685 Uridine monophosphate BE0001938 ISG20 Q96AZ6 ISG20_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Pyrimidine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides" "Pyrimidine Nucleotides; Ribonucleotides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Uracil Nucleotides" O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O Clomocycline Action Pathway; Rolitetracycline Action Pathway; Dihydropyrimidinase Deficiency; Lactose Synthesis; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Tobramycin Action Pathway; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Azithromycin Action Pathway; Clarithromycin Action Pathway; beta-Ureidopropionase Deficiency; UMP Synthase Deficiency (Orotic Aciduria); Troleandomycin Action Pathway; Amikacin Action Pathway; Streptomycin Action Pathway; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Clindamycin Action Pathway disease; metabolic; drug_action 46506409 Uridine_monophosphate CHEMBL214393 DB03690 "(Z,Z)-4-Hydroxy-N,N,N-Trimethyl-10-Oxo-7-[(1-Oxo-9-Octadecenyl)Oxy]-3,5,9-Trioxa-4-Phosphaheptacos-18-En-1-Aminium-4-Oxide" BE0001505 PITPNA Q00169 PIPNA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phosphatidylcholines Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC 46507337 DB03693 N-(2-Aminoethyl)-5-Chloroisoquinoline-8-Sulfonamide BE0003334 CSNK1G2 P78368 KC1G2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives "Heterocyclic Compounds, Fused-Ring" NCCNS(=O)(=O)C1=CC=C(Cl)C2=C1C=NC=C2 46505981 CHEMBL489157 DB03695 Piritrexim BE0000330 DHFR P00374 DYR_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational "Pyrido[2,3-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines; Pyrido[2,3-d]pyrimidines" Enzyme Inhibitors; Folic Acid Antagonists; Antineoplastic Agents COC1=CC(CC2=C(C)C3=C(N=C2)N=C(N)N=C3N)=C(OC)C=C1 46506046 CHEMBL7492 DB03696 Lanosterol BE0001466 LSS P48449 ERG7_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Triterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids "Cholestanes; Fused-Ring Compounds; Lanosterol, metabolism; Steroids; Sterols; Cholestadienes; Triterpenes; Lipids; Cholestenes; Cholestadienols; Membrane Lipids; Terpenes" [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C 46506323 Lanosterol CHEMBL225111 1442199 DB03697 4-Sulfonamide-[1-(4-Aminobutane)]Benzamide BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NCCCCNC(=O)C1=CC=C(C=C1)S(N)(=O)=O 46507090 CHEMBL331282 DB03701 Vanoxerine BE0009629 KCNH2 Q9NS40 KCNH7_HUMAN blocker 19817928 "Lacerda AE, Kuryshev YA, Yan GX, Waldo AL, Brown AM: Vanoxerine: cellular mechanism of a new antiarrhythmic. J Cardiovasc Electrophysiol. 2010 Mar;21(3):301-10. doi: 10.1111/j.1540-8167.2009.01623.x. Epub 2009 Oct 8." Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Antiarrhythmic agents; Dopamine Uptake Inhibitors; Cytochrome P-450 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agents; Membrane Transport Modulators FC1=CC=C(C=C1)C(OCCN1CCN(CCCC2=CC=CC=C2)CC1)C1=CC=C(F)C=C1 46504818 DCL001032 Vanoxerine CHEMBL281594 DB03707 S-Ethyl-N-Phenyl-Isothiourea BE0000067 NOS1 P29475 NOS1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives CCS\C(N)=N\C1=CC=CC=C1 46506739 CHEMBL451666 DB03708 Adenosine 5'-phosphosulfate BE0003094 PAPSS1 O43252 PAPS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1O 46507829 CHEMBL572546 DB03710 [(1S)-4-(1-Aminobutylideneamino)-1-carboxybutyl]azanium BE0000067 NOS1 P29475 NOS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CCC\C(N)=N/CCC[C@H]([NH3+])C(O)=O 46504611 DB03712 RU85053 BE0000838 SRC P12931 SRC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CC(=O)N[C@@H](CC1=CC(C(O)=O)=C(CC(O)=O)C=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O 46505930 CHEMBL432359 DB03714 4-Carbamoyl-4-{[6-(Difluoro-Phosphono-Methyl)-Naphthalene-2-Carbonyl]-Amino}-Butyric Acid BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CCC(O)=O)(NC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(F)(F)P(O)(O)=O)C(N)=O 46509105 DB03719 N-Ethyl-5'-Carboxamido Adenosine BE0001165 HSP90B1 P14625 ENPL_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" CCNC(=O)[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N 46509074 CHEMBL1513348 DB03721 N-acetyl-alpha-neuraminic acid BE0001159 SELP P16109 LYAM3_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental N-acylneuraminic acids Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO 46505298 Neuraminic_acid CHEMBL1234621 DB03721 N-acetyl-alpha-neuraminic acid BE0004592 SIGLEC1 Q9BZZ2 SN_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acylneuraminic acids Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO 46505298 Neuraminic_acid CHEMBL1234621 DB03722 "3,4-Dihydro-5-Methyl-Isoquinolinone" BE0001717 PARP1 P09874 PARP1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolones and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives CC1=CC=CC2=C1CCNC2=O 46507396 CHEMBL125200 DB03731 S-2-(Boronoethyl)-L-Cysteine BE0000286 ARG1 P05089 ARGI1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-cysteine-S-conjugates "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](N)(CSCC[B-](O)(O)O)C(O)=O 46504906 DB03736 2-Cyclopropylmethylenepropanal BE0000270 REN P00797 RENI_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Organic oxides Organic compounds; Organic oxygen compounds; Organic oxides [H][C@](C)(CC1CC1)C=O 46508047 DB03737 "4-((3r,4s,5r)-4-Amino-3,5-Dihydroxy-Hex-1-Ynyl)-5-Fluoro-3-[1-(3-Methoxy-1h-Pyrrol-2-Yl)-Meth-(Z)-Ylidene]-1,3-Dihydro-Indol-2-One" BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines [H][C@](C)(O)[C@]([H])(N)[C@]([H])(O)C#CC1=C(F)C=CC2=C1\C(=C\C1=C(OC)C=CN1)C(=O)N2 46505468 CHEMBL354634 DB03738 Pantothenoylaminoethenethiol BE0003043 PPCDC Q96CD2 COAC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Beta amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H]N(CCC(=O)N([H])\C=C/S)C(=O)[C@H](O)C(C)(C)CO 46508070 DB03740 N-acetyl-alpha-D-glucosamine BE0000978 GBA P04062 GLCM_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental N-acyl-alpha-hexosamines Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 46508699 CHEMBL1234669 2280292 DB03742 Compound 4-D BE0000123 ESR1 P03372 ESR1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes [H][C@]1(OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)C1=CC=C(OCCN2CCCCC2)C=C1 46506967 CHEMBL304552 DB03749 "4-(1h-Imidazol-4-Yl)-3-(5-Ethyl-2,4-Dihydroxy-Phenyl)-1h-Pyrazole" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CCC1=C(O)C=C(O)C(=C1)C1=NNC=C1C1=CNC=N1 46505796 CHEMBL360563 DB03754 Tromethamine BE0003392 APP P05067 A4_HUMAN inhibitor 8380642 "Arispe N, Rojas E, Pollard HB: Alzheimer disease amyloid beta protein forms calcium channels in bilayer membranes: blockade by tromethamine and aluminum. Proc Natl Acad Sci U S A. 1993 Jan 15;90(2):567-71. doi: 10.1073/pnas.90.2.567." Approved "1,2-aminoalcohols" Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Blood Substitutes and Perfusion Solutions; Propylene Glycols; Buffers; Pharmaceutical Preparations; I.V. Solution Additives; Pharmaceutic Aids; Glycols; Blood and Blood Forming Organs; Solutions Affecting the Electrolyte Balance; Alcohols; Pharmaceutical Vehicles; Excipients; i.v. Solutions; Laboratory Chemicals; Compounds used in a research, industrial, or household setting" NC(CO)(CO)CO 13337 46506027 D00396 Tris CHEMBL1200391 10865 DB03756 Doconexent BE0000071 PPARA Q07869 PPARA_HUMAN activator 24986106; 19585164; 27079734 "Liu M, Montgomery MK, Fiveash CE, Osborne B, Cooney GJ, Bell-Anderson K, Turner N: PPARalpha-independent actions of omega-3 PUFAs contribute to their beneficial effects on adiposity and glucose homeostasis. Sci Rep. 2014 Jul 2;4:5538. doi: 10.1038/srep05538.@@Rudkowska I, Garenc C, Couture P, Vohl MC: Omega-3 fatty acids regulate gene expression levels differently in subjects carrying the PPARalpha L162V polymorphism. Genes Nutr. 2009 Sep;4(3):199-205. doi: 10.1007/s12263-009-0129-2. Epub 2009 Jul 8.@@Ji HG, Piao JY, Kim SJ, Kim DH, Lee HN, Na HK, Surh YJ: Docosahexaenoic acid inhibits Helicobacter pylori-induced STAT3 phosphorylation through activation of PPARgamma. Mol Nutr Food Res. 2016 Jun;60(6):1448-57. doi: 10.1002/mnfr.201600009. Epub 2016 May 9." Approved; Investigational Very long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Fish Oils; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Oils; Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Cytochrome P-450 CYP2C9 Inhibitors; Fats; Dietary Fats" CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O 1796 46506213 Docosahexaenoic_acid CHEMBL367149 1006469 DB03756 Doconexent BE0000215 PPARG P37231 PPARG_HUMAN activator 21382489; 18769551; 27079734; 15698426 "Varga T, Czimmerer Z, Nagy L: PPARs are a unique set of fatty acid regulated transcription factors controlling both lipid metabolism and inflammation. Biochim Biophys Acta. 2011 Aug;1812(8):1007-22. doi: 10.1016/j.bbadis.2011.02.014. Epub 2011 Mar 5.@@Edwards IJ, O'Flaherty JT: Omega-3 Fatty Acids and PPARgamma in Cancer. PPAR Res. 2008;2008:358052. doi: 10.1155/2008/358052.@@Ji HG, Piao JY, Kim SJ, Kim DH, Lee HN, Na HK, Surh YJ: Docosahexaenoic acid inhibits Helicobacter pylori-induced STAT3 phosphorylation through activation of PPARgamma. Mol Nutr Food Res. 2016 Jun;60(6):1448-57. doi: 10.1002/mnfr.201600009. Epub 2016 May 9.@@Li H, Ruan XZ, Powis SH, Fernando R, Mon WY, Wheeler DC, Moorhead JF, Varghese Z: EPA and DHA reduce LPS-induced inflammation responses in HK-2 cells: evidence for a PPAR-gamma-dependent mechanism. Kidney Int. 2005 Mar;67(3):867-74." Approved; Investigational Very long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Fish Oils; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Oils; Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Cytochrome P-450 CYP2C9 Inhibitors; Fats; Dietary Fats" CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O 1796 46506213 Docosahexaenoic_acid CHEMBL367149 1006469 DB03756 Doconexent BE0000412 RXRA P19793 RXRA_HUMAN activator 23723389; 11118147 "German OL, Monaco S, Agnolazza DL, Rotstein NP, Politi LE: Retinoid X receptor activation is essential for docosahexaenoic acid protection of retina photoreceptors. J Lipid Res. 2013 Aug;54(8):2236-46. doi: 10.1194/jlr.M039040. Epub 2013 May 30.@@de Urquiza AM, Liu S, Sjoberg M, Zetterstrom RH, Griffiths W, Sjovall J, Perlmann T: Docosahexaenoic acid, a ligand for the retinoid X receptor in mouse brain. Science. 2000 Dec 15;290(5499):2140-4." Approved; Investigational Very long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Fish Oils; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Oils; Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Cytochrome P-450 CYP2C9 Inhibitors; Fats; Dietary Fats" CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O 1796 46506213 Docosahexaenoic_acid CHEMBL367149 1006469 DB03756 Doconexent BE0000707 RXRG P48443 RXRG_HUMAN activator 23723389; 11118147; 21334601 "German OL, Monaco S, Agnolazza DL, Rotstein NP, Politi LE: Retinoid X receptor activation is essential for docosahexaenoic acid protection of retina photoreceptors. J Lipid Res. 2013 Aug;54(8):2236-46. doi: 10.1194/jlr.M039040. Epub 2013 May 30.@@de Urquiza AM, Liu S, Sjoberg M, Zetterstrom RH, Griffiths W, Sjovall J, Perlmann T: Docosahexaenoic acid, a ligand for the retinoid X receptor in mouse brain. Science. 2000 Dec 15;290(5499):2140-4.@@Wietrzych-Schindler M, Szyszka-Niagolov M, Ohta K, Endo Y, Perez E, de Lera AR, Chambon P, Krezel W: Retinoid x receptor gamma is implicated in docosahexaenoic acid modulation of despair behaviors and working memory in mice. Biol Psychiatry. 2011 Apr 15;69(8):788-94. doi: 10.1016/j.biopsych.2010.12.017. Epub 2011 Feb 21." Approved; Investigational Very long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Fish Oils; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Oils; Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Cytochrome P-450 CYP2C9 Inhibitors; Fats; Dietary Fats" CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O 1796 46506213 Docosahexaenoic_acid CHEMBL367149 1006469 DB03756 Doconexent BE0005540 SREBF1 P36956 SRBP1_HUMAN inhibitor 22570770 "Patterson E, Wall R, Fitzgerald GF, Ross RP, Stanton C: Health implications of high dietary omega-6 polyunsaturated Fatty acids. J Nutr Metab. 2012;2012:539426. doi: 10.1155/2012/539426. Epub 2012 Apr 5." Approved; Investigational Very long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Fish Oils; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Oils; Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Cytochrome P-450 CYP2C9 Inhibitors; Fats; Dietary Fats" CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O 1796 46506213 Docosahexaenoic_acid CHEMBL367149 1006469 DB03758 Radicicol BE0001898 HSP90AB1 P08238 HS90B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydroxybenzoic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives Anti-Infective Agents; Enzyme Inhibitors; Antifungal Agents; Lactones; Antiprotozoals; Polyketides; Tyrosine Kinase Inhibitors; Antiparasitic Agents C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)CC2=C(Cl)C(O)=CC(O)=C2C(=O)O1 46504837 DNC001195 Radicicol CHEMBL414883 DB03758 Radicicol BE0001165 HSP90B1 P14625 ENPL_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydroxybenzoic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives Anti-Infective Agents; Enzyme Inhibitors; Antifungal Agents; Lactones; Antiprotozoals; Polyketides; Tyrosine Kinase Inhibitors; Antiparasitic Agents C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)CC2=C(Cl)C(O)=CC(O)=C2C(=O)O1 46504837 DNC001195 Radicicol CHEMBL414883 DB03758 Radicicol BE0000065 DLAT P10515 ODP2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydroxybenzoic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives Anti-Infective Agents; Enzyme Inhibitors; Antifungal Agents; Lactones; Antiprotozoals; Polyketides; Tyrosine Kinase Inhibitors; Antiparasitic Agents C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)CC2=C(Cl)C(O)=CC(O)=C2C(=O)O1 46504837 DNC001195 Radicicol CHEMBL414883 DB03758 Radicicol BE0004330 PDK3 Q15120 PDK3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydroxybenzoic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives Anti-Infective Agents; Enzyme Inhibitors; Antifungal Agents; Lactones; Antiprotozoals; Polyketides; Tyrosine Kinase Inhibitors; Antiparasitic Agents C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)CC2=C(Cl)C(O)=CC(O)=C2C(=O)O1 46504837 DNC001195 Radicicol CHEMBL414883 DB03759 FG-9041 BE0000829 GRIA2 P42262 GRIA2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinoxalines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Excitatory Amino Acid Agents; Heterocyclic Compounds, Fused-Ring; Excitatory Amino Acid Antagonists; Neurotransmitter Agents" [O-][N+](=O)C1=C(C=C2NC(=O)C(=O)NC2=C1)[N+]([O-])=O 46505600 CHEMBL155265 DB03760 Dihydrolipoic Acid BE0000065 DLAT P10515 ODP2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Medium-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Antioxidants; Biological Factors; Coenzymes; Enzymes and Coenzymes; Lipids; Protective Agents; Thiophenes; Sulfur Compounds; Fatty Acids; Compounds used in a research, industrial, or household setting" [H][C@](S)(CCS)CCCCC(O)=O 46508127 CHEMBL1235647 DB03760 Dihydrolipoic Acid BE0004330 PDK3 Q15120 PDK3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Medium-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Antioxidants; Biological Factors; Coenzymes; Enzymes and Coenzymes; Lipids; Protective Agents; Thiophenes; Sulfur Compounds; Fatty Acids; Compounds used in a research, industrial, or household setting" [H][C@](S)(CCS)CCCCC(O)=O 46508127 CHEMBL1235647 DB03766 Propanoic acid BE0002652 GPHN Q9NQX3 GEPH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Vet_approved Carboxylic acids Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids "Fatty Acids, Volatile; Anti-Infective Agents; Ophthalmologicals; Lipids; Acids, Acyclic; Fatty Acids; Sensory Organs" CCC(O)=O Vitamin K Metabolism; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Propanoate Metabolism; Malonic Aciduria; Malonyl-CoA Decarboxylase Deficiency disease; metabolic 8742 46508742 D02310 Propionic_acid CHEMBL14021 34658 DB03767 Morpholine-4-Carboxylic Acid [1s-(2-Benzyloxy-1r-Cyano-Ethylcarbamoyl)-3-Methyl-Butyl]Amide BE0001646 CTSS P25774 CATS_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Leucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](COCC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)NC(=O)N1CCOCC1)C#N 46508762 CHEMBL153813 DB03769 D-Eritadenine BE0001684 AHCY P23526 SAHH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Enzyme Inhibitors; Heterocyclic Compounds, Fused-Ring" [H][C@@](O)(CN1C=NC2=C(N)N=CN=C12)[C@@]([H])(O)C(O)=O 46504488 CHEMBL1095280 DB03772 "2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,5-Diol" BE0000214 ABO P16442 BGAT_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@@]1(O)C[C@@]([H])(O)[C@]([H])(OCCCCCC)O[C@]1([H])CO 46508009 DB03777 Bisindolylmaleimide I BE0001193 PDPK1 O15530 PDPK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles "Protein Kinase C, antagonists & inhibitors; Dicarboxylic Acids; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Anti-Inflammatory Agents; Maleates; Acids, Acyclic; Imides" CN(C)CCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2 46507495 BIM-1 CHEMBL7463 DB03777 Bisindolylmaleimide I BE0003889 PRKCI P41743 KPCI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles "Protein Kinase C, antagonists & inhibitors; Dicarboxylic Acids; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Anti-Inflammatory Agents; Maleates; Acids, Acyclic; Imides" CN(C)CCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2 46507495 BIM-1 CHEMBL7463 DB03781 "2-[4-(2,4-Dichlorophenoxy)Phenoxy]Propanoic Acid" BE0000702 ACACB O00763 ACACB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryloxyphenoxypropionic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids [H][C@](C)(OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1)C(O)=O 46509141 DB03788 GC-24 BE0000315 THRB P10828 THB_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Linear diarylheptanoids Organic compounds; Phenylpropanoids and polyketides; Diarylheptanoids; Linear diarylheptanoids CC1=CC(OCC(O)=O)=CC(C)=C1CC1=CC=C(O)C(CC2=CC=CC=C2)=C1 46504743 DB03791 GW-3965 BE0001598 NR1H2 P55055 NR1H2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Amines; Acids, Carbocyclic; Benzyl Compounds; Benzene Derivatives; Ligands" OC(=O)CC1=CC=CC(OCCCN(CC(C2=CC=CC=C2)C2=CC=CC=C2)CC2=CC=CC(=C2Cl)C(F)(F)F)=C1 46507779 CHEMBL59030 DB03793 Benzoic acid BE0001018 SLC15A1 P46059 S15A1_HUMAN 21147219 "Omkvist DH, Trangbaek DJ, Mildon J, Paine JS, Brodin B, Begtrup M, Nielsen CU: Affinity and translocation relationships via hPEPT1 of H-X aa-Ser-OH dipeptides: evaluation of H-Phe-Ser-OH as a pro-moiety for ibuprofen and benzoic acid prodrugs. Eur J Pharm Biopharm. 2011 Feb;77(2):327-31. doi: 10.1016/j.ejpb.2010.12.009. Epub 2010 Dec 13." Approved; Investigational Benzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Nitrogen Binding Agent; Food Ingredients; Benzene Derivatives; Antifungal Agents; Benzoates; Tests for Gastric Secretion; Alimentary Tract and Metabolism; Diagnostic Agents; Diet, Food, and Nutrition; Acids, Carbocyclic; Food; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Various Alimentary Tract and Metabolism Products; Compounds used in a research, industrial, or household setting; Anti-Infective Agents; Physiological Phenomena; OAT3/SLC22A8 Inhibitors; Food Preservatives; Ammonium Ion Binding Activity; Food Additives; Urea Cycle Disorder Agents" OC(=O)C1=CC=CC=C1 7023 46504911 D00038 PA448578 Benzoic_acid CHEMBL541 18989 DB03793 Benzoic acid BE0004141 DAO P14920 OXDA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Benzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Nitrogen Binding Agent; Food Ingredients; Benzene Derivatives; Antifungal Agents; Benzoates; Tests for Gastric Secretion; Alimentary Tract and Metabolism; Diagnostic Agents; Diet, Food, and Nutrition; Acids, Carbocyclic; Food; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Various Alimentary Tract and Metabolism Products; Compounds used in a research, industrial, or household setting; Anti-Infective Agents; Physiological Phenomena; OAT3/SLC22A8 Inhibitors; Food Preservatives; Ammonium Ion Binding Activity; Food Additives; Urea Cycle Disorder Agents" OC(=O)C1=CC=CC=C1 7023 46504911 D00038 PA448578 Benzoic_acid CHEMBL541 18989 DB03796 Palmitic Acid BE0000071 PPARA Q07869 PPARA_HUMAN 10403814 "Murakami K, Ide T, Suzuki M, Mochizuki T, Kadowaki T: Evidence for direct binding of fatty acids and eicosanoids to human peroxisome proliferators-activated receptor alpha. Biochem Biophys Res Commun. 1999 Jul 14;260(3):609-13." Approved Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Palmitic Acids; Enzyme Inhibitors; Lipids; Fatty Acids CCCCCCCCCCCCCCCC(O)=O "Cerivastatin Action Pathway; Medium Chain Acyl-CoA Dehydrogenase Deficiency (MCAD); Ethylmalonic Encephalopathy; Familial Hypercholanemia (FHCA); Desmosterolosis; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Congenital Bile Acid Synthesis Defect Type III; Glycerolipid Metabolism; Ibandronate Action Pathway; Cerebrotendinous Xanthomatosis (CTX); Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Carnitine Palmitoyl Transferase Deficiency II; Hyper-IgD Syndrome; Zellweger Syndrome; Long-Chain-3-Hydroxyacyl-CoA Dehydrogenase Deficiency (LCHAD); Steroid Biosynthesis; Hypercholesterolemia; Risedronate Action Pathway; Mevalonic Aciduria; Glutaric Aciduria Type I; Alendronate Action Pathway; CHILD Syndrome; D-Glyceric Acidura; Lovastatin Action Pathway; Wolman Disease; Bile Acid Biosynthesis; Long Chain Acyl-CoA Dehydrogenase Deficiency (LCAD); Glycerol Kinase Deficiency; Atorvastatin Action Pathway" disease; metabolic; drug_action 9817 46506400 D05341 Palmitic_acid CHEMBL82293 1370621 DB03796 Palmitic Acid BE0003179 HNF4G Q14541 HNF4G_HUMAN Approved Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Palmitic Acids; Enzyme Inhibitors; Lipids; Fatty Acids CCCCCCCCCCCCCCCC(O)=O "Cerivastatin Action Pathway; Medium Chain Acyl-CoA Dehydrogenase Deficiency (MCAD); Ethylmalonic Encephalopathy; Familial Hypercholanemia (FHCA); Desmosterolosis; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Congenital Bile Acid Synthesis Defect Type III; Glycerolipid Metabolism; Ibandronate Action Pathway; Cerebrotendinous Xanthomatosis (CTX); Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Carnitine Palmitoyl Transferase Deficiency II; Hyper-IgD Syndrome; Zellweger Syndrome; Long-Chain-3-Hydroxyacyl-CoA Dehydrogenase Deficiency (LCHAD); Steroid Biosynthesis; Hypercholesterolemia; Risedronate Action Pathway; Mevalonic Aciduria; Glutaric Aciduria Type I; Alendronate Action Pathway; CHILD Syndrome; D-Glyceric Acidura; Lovastatin Action Pathway; Wolman Disease; Bile Acid Biosynthesis; Long Chain Acyl-CoA Dehydrogenase Deficiency (LCAD); Glycerol Kinase Deficiency; Atorvastatin Action Pathway" disease; metabolic; drug_action 9817 46506400 D05341 Palmitic_acid CHEMBL82293 1370621 DB03796 Palmitic Acid BE0003181 TRAPPC3 O43617 TPPC3_HUMAN Approved Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Palmitic Acids; Enzyme Inhibitors; Lipids; Fatty Acids CCCCCCCCCCCCCCCC(O)=O "Cerivastatin Action Pathway; Medium Chain Acyl-CoA Dehydrogenase Deficiency (MCAD); Ethylmalonic Encephalopathy; Familial Hypercholanemia (FHCA); Desmosterolosis; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Congenital Bile Acid Synthesis Defect Type III; Glycerolipid Metabolism; Ibandronate Action Pathway; Cerebrotendinous Xanthomatosis (CTX); Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Carnitine Palmitoyl Transferase Deficiency II; Hyper-IgD Syndrome; Zellweger Syndrome; Long-Chain-3-Hydroxyacyl-CoA Dehydrogenase Deficiency (LCHAD); Steroid Biosynthesis; Hypercholesterolemia; Risedronate Action Pathway; Mevalonic Aciduria; Glutaric Aciduria Type I; Alendronate Action Pathway; CHILD Syndrome; D-Glyceric Acidura; Lovastatin Action Pathway; Wolman Disease; Bile Acid Biosynthesis; Long Chain Acyl-CoA Dehydrogenase Deficiency (LCAD); Glycerol Kinase Deficiency; Atorvastatin Action Pathway" disease; metabolic; drug_action 9817 46506400 D05341 Palmitic_acid CHEMBL82293 1370621 DB03801 Lysine Nz-Carboxylic Acid BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CCCCNC(O)=O)C(O)=O 46507407 DB03802 "1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol" BE0000123 ESR1 P03372 ESR1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental 1-phenyltetrahydroisoquinolines Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 1-phenyltetrahydroisoquinolines [H][C@@]12CCCCN1CCN(C2)C1=CC=C(C=C1)[C@@]1([H])N(CCC2=CC(O)=CC=C12)C1=CC=CC=C1 46507283 DB03807 "1-(2-Chlorophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester" BE0000487 PDE4B Q07343 PDE4B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CCOC(=O)C1=C(C)N(N=C1C)C1=C(Cl)C=CC=C1 46507330 CHEMBL519827 DB03809 9-Butyl-8-(3-Methoxybenzyl)-9h-Purin-6-Amine BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives CCCCN1C(CC2=CC=CC(OC)=C2)=NC2=C(N)N=CN=C12 46506776 CHEMBL109612 DB03814 2-(N-morpholino)ethanesulfonic acid BE0000329 HSD11B1 P28845 DHI1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Morpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines "Hydrocarbons, Acyclic; Buffers; Oxazines; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes" OS(=O)(=O)CCN1CCOCC1 46507795 MES_(buffer) CHEMBL1234276 DB03814 2-(N-morpholino)ethanesulfonic acid BE0000259 B4GALT1 P15291 B4GT1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Morpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines "Hydrocarbons, Acyclic; Buffers; Oxazines; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes" OS(=O)(=O)CCN1CCOCC1 46507795 MES_(buffer) CHEMBL1234276 DB03814 2-(N-morpholino)ethanesulfonic acid BE0004638 ARL3 P36405 ARL3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Morpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines "Hydrocarbons, Acyclic; Buffers; Oxazines; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes" OS(=O)(=O)CCN1CCOCC1 46507795 MES_(buffer) CHEMBL1234276 DB03814 2-(N-morpholino)ethanesulfonic acid BE0003191 L3MBTL1 Q9Y468 LMBL1_HUMAN Experimental Morpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines "Hydrocarbons, Acyclic; Buffers; Oxazines; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes" OS(=O)(=O)CCN1CCOCC1 46507795 MES_(buffer) CHEMBL1234276 DB03814 2-(N-morpholino)ethanesulfonic acid BE0002180 BCHE P06276 CHLE_HUMAN Experimental Morpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines "Hydrocarbons, Acyclic; Buffers; Oxazines; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes" OS(=O)(=O)CCN1CCOCC1 46507795 MES_(buffer) CHEMBL1234276 DB03821 2-Amino-3-Hydroxy-3-Phosphonooxy-Propionic Acid BE0003195 ARSA P15289 ARSA_HUMAN Experimental Serine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](N)(C(O)=O)[C@@]([H])(O)OP(O)(O)=O 46505746 DB03822 Ethyl dihydrogen phosphate BE0002180 BCHE P06276 CHLE_HUMAN Experimental Monoalkyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters "Anions; Electrolytes; Ions; Phosphorus Compounds; Organophosphorus Compounds; Phosphoric Acids; Acids; Phosphorus Acids; Acids, Noncarboxylic" CCOP(O)(O)=O 46508637 DB03828 RU78299 BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters CC1=CC(C=O)=C(OP(O)(O)=O)C(C=O)=C1 46506853 CHEMBL421138 DB03832 "3-Carboxy-N,N,N-Trimethyl-2-(Octanoyloxy)Propan-1-Aminium" BE0000373 CROT Q9UKG9 OCTC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acyl carnitines Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters [H][C@@](CC(O)=O)(C[N+](C)(C)C)OC(=O)CCCCCCC 46507542 CHEMBL1234930 DB03837 Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide BE0001646 CTSS P25774 CATS_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Leucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" C(C)(C)C[C@H](C(=O)N[C@H](CCC1=CC=CC=C1)\C=C\S(=O)(=O)C1=CC=CC=C1)NC(=O)N1CCOCC1 46506153 CHEMBL222649 DB03841 Niraxostat BE0002204 XDH P47989 XDH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CC(C)(C)COC1=C(C=C(C=C1)N1C=C(C=N1)C(O)=O)C#N 46506546 CHEMBL169526 DB03844 "N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide" BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-benzylbenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C=CC=C1F 46506893 DB03845 P1-(5'-Adenosyl)P5-(5'-(3'azido-3'-Deoxythymidyl))Pentaphosphate BE0001221 DTYMK P23919 KTHY_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" [H][C@@]1(C[C@]([H])(N=[N+]=[N-])[C@@]([H])(COP([O-])(=O)OP([O-])(=O)OP(O)(=O)OP([O-])(=O)OP([O-])(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O1)N1C=C(C)C([O-])=NC1=O 46505090 DB03847 gamma-carboxy-L-glutamic acid BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Tricarboxylic Acids; 1-Carboxyglutamic Acid; Amino Acids, Acidic; Acids, Acyclic; Glutamates; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic" N[C@@H](CC(C(O)=O)C(O)=O)C(O)=O 46505246 CHEMBL38397 DB03848 Benzenesulfinic acid BE0001598 NR1H2 P55055 NR1H2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Acids; Sulfur Compounds; Sulfur Acids; Acids, Noncarboxylic" O[S@@](=O)C1=CC=CC=C1 46507959 2637735 DB03849 Cilomilast BE0001287 PDE4D Q08499 PDE4D_HUMAN inhibitor 10592235; 17155857 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Kroegel C, Foerster M: Phosphodiesterase-4 inhibitors as a novel approach for the treatment of respiratory disease: cilomilast. Expert Opin Investig Drugs. 2007 Jan;16(1):109-24." Investigational Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles "Phosphodiesterase 4 Inhibitors; Cycloparaffins; Enzyme Inhibitors; Acids, Carbocyclic; Cyclohexanes; Phosphodiesterase Inhibitors" COC1=C(OC2CCCC2)C=C(C=C1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N 46505062 D01704 Cilomilast CHEMBL511115 DB03849 Cilomilast BE0000487 PDE4B Q07343 PDE4B_HUMAN inhibitor 17155857 "Kroegel C, Foerster M: Phosphodiesterase-4 inhibitors as a novel approach for the treatment of respiratory disease: cilomilast. Expert Opin Investig Drugs. 2007 Jan;16(1):109-24." Investigational Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles "Phosphodiesterase 4 Inhibitors; Cycloparaffins; Enzyme Inhibitors; Acids, Carbocyclic; Cyclohexanes; Phosphodiesterase Inhibitors" COC1=C(OC2CCCC2)C=C(C=C1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N 46505062 D01704 Cilomilast CHEMBL511115 DB03856 L-Eflornithine BE0000404 ODC1 P11926 DCOR_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" NCCC[C@@](N)(C(F)F)C(O)=O 46506167 CHEMBL222838 DB03860 ICI-164384 BE0000792 ESR2 Q92731 ESR2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Fused-Ring Compounds; Hydrocarbons, Acyclic; Steroids; Gonadal Steroid Hormones; Alkenes; Gonadal Hormones; Alkynes; Estranes; Hormones; Amides; Hormone Antagonists; Estradiol Congeners; Estrogen Antagonists; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3C[C@@H](CCCCCCCCCCC(=O)N(C)CCCC)[C@@]21[H] 46506133 ICI-164384 CHEMBL1222035 DB03861 "(2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidine" BE0003196 KCNMB2 Q9Y691 KCMB2_HUMAN Experimental Piperidines Organic compounds; Organoheterocyclic compounds; Piperidines [H]N([C@H]1N([H])C[C@H](CO)[C@H](O)[C@@H]1O)C(C)=O 46508888 DB03864 Monothioglycerol BE0002148 PREP P48147 PPCE_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,2-diols" Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Sugar Alcohols; Carbohydrates; Triose Sugar Alcohols; Alcohols OC[C@@H](O)CS 46508507 "3-Mercaptopropane-1,2-diol" 1363062 DB03867 3-nitro-L-tyrosine BE0000648 GSR P00390 GSHR_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Tyrosine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Cyclic; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic" N[C@@H](CC1=CC(=C(O)C=C1)[N+]([O-])=O)C(O)=O 46507718 DB03877 AL-4623 BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Thienothiazines Organic compounds; Organoheterocyclic compounds; Thienothiazines CCN[C@H]1CN(CCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O 46507464 DB03878 N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide BE0000014 ABL1 P00519 ABL1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides CC1=CC=C(NC(=O)C2=CC=CN=C2)C=C1NC1=NC=CC(=N1)C1=CC=CN=C1 46505112 DB03880 Batimastat BE0003872 ADAM28 Q9UKQ2 ADA28_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Protease Inhibitors; Amino Acids; Metalloendopeptidases, antagonists & inhibitors; Amino Acids, Cyclic; Enzyme Inhibitors; Sulfur Compounds; Amino Acids, Peptides, and Proteins; Antineoplastic Agents; Amino Acids, Aromatic" [H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)[C@]([H])(CSC1=CC=CS1)C(=O)NO)C(=O)NC 46505727 D03061 DNC000274 Batimastat CHEMBL279786 DB03880 Batimastat BE0001182 MMP8 P22894 MMP8_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Protease Inhibitors; Amino Acids; Metalloendopeptidases, antagonists & inhibitors; Amino Acids, Cyclic; Enzyme Inhibitors; Sulfur Compounds; Amino Acids, Peptides, and Proteins; Antineoplastic Agents; Amino Acids, Aromatic" [H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)[C@]([H])(CSC1=CC=CS1)C(=O)NO)C(=O)NC 46505727 D03061 DNC000274 Batimastat CHEMBL279786 DB03880 Batimastat BE0001637 MMP16 P51512 MMP16_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Protease Inhibitors; Amino Acids; Metalloendopeptidases, antagonists & inhibitors; Amino Acids, Cyclic; Enzyme Inhibitors; Sulfur Compounds; Amino Acids, Peptides, and Proteins; Antineoplastic Agents; Amino Acids, Aromatic" [H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)[C@]([H])(CSC1=CC=CS1)C(=O)NO)C(=O)NC 46505727 D03061 DNC000274 Batimastat CHEMBL279786 DB03881 "(2S,3R,4S,5S)-3,4-Dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium" BE0000250 PNP P00491 PNPH_HUMAN 14982926 "Shi W, Ting LM, Kicska GA, Lewandowicz A, Tyler PC, Evans GB, Furneaux RH, Kim K, Almo SC, Schramm VL: Plasmodium falciparum purine nucleoside phosphorylase: crystal structures, immucillin inhibitors, and dual catalytic function. J Biol Chem. 2004 Apr 30;279(18):18103-6. Epub 2004 Feb 23." Experimental Pyrrolopyrimidines Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines [H]N1C=C([C@H]2[C@H](O)[C@H](O)[C@@H](CSC)[N+]2([H])[H])C2=C1C(=O)N=CN2[H] 46506174 DB03882 "5-Alpha-Androstane-3-Beta,17beta-Diol" BE0000792 ESR2 Q92731 ESR2_HUMAN agonist 20557886 "Norata GD, Cattaneo P, Poletti A, Catapano AL: The androgen derivative 5alpha-androstane-3beta,17beta-diol inhibits tumor necrosis factor alpha and lipopolysaccharide induced inflammatory response in human endothelial cells and in mice aorta. Atherosclerosis. 2010 Sep;212(1):100-6. doi: 10.1016/j.atherosclerosis.2010.05.015. Epub 2010 May 19." Experimental Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids [H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 46508740 CHEMBL316048 DB03886 Biopterin BE0004520 PTS Q03393 PTPS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biopterins and derivatives Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives "Pteridines; Heterocyclic Compounds, Fused-Ring; Coenzymes; Enzymes and Coenzymes; Pterins" C[C@@H](O)[C@@H](O)C1=CN=C2N=C(N)NC(=O)C2=N1 46505723 Biopterin DB03886 Biopterin BE0000330 DHFR P00374 DYR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biopterins and derivatives Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives "Pteridines; Heterocyclic Compounds, Fused-Ring; Coenzymes; Enzymes and Coenzymes; Pterins" C[C@@H](O)[C@@H](O)C1=CN=C2N=C(N)NC(=O)C2=N1 46505723 Biopterin DB03889 S-(N-hydroxy-N-bromophenylcarbamoyl)glutathione BE0001825 HAGH Q16775 GLO2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental "Oligopeptides; Amino Acids, Peptides, and Proteins; Peptides" N[C@@H](CCC(=O)N[C@@H](CS[C@H](O)N(O)C1=CC=C(Br)C=C1)C(=O)NCC(O)=O)C(O)=O 46506985 DB03892 5-N-Allyl-arginine BE0000067 NOS1 P29475 NOS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Arginine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CCC\[NH+]=C(/N)NCC=C)C(O)=O 46508041 DB03896 Triphosphoric acid BE0004515 PAPOLA P51003 PAPOA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Non-metal phosphates Inorganic compounds; Homogeneous non-metal compounds; Non-metal oxoanionic compounds; Non-metal phosphates "Anions; Electrolytes; Ions; Phosphorus Compounds; Phosphoric Acids; Acids; Phosphorus Acids; Acids, Noncarboxylic" OP(O)(=O)OP(O)(=O)OP(O)(O)=O Segawa Syndrome; Pterine Biosynthesis; Hyperphenylalaninemia Due to DHPR-Deficiency; Sepiapterin Reductase Deficiency; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); DOPA-Responsive Dystonia; Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency disease; metabolic 46507939 Triphosphoric_acid CHEMBL1230191 1364529 DB03899 9-Butyl-8-(4-Methoxybenzyl)-9h-Purin-6-Amine BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives CCCCN1C(CC2=CC=C(OC)C=C2)=NC2=C(N)N=CN=C12 46505705 CHEMBL112834 DB03900 tert-butanol BE0003844 TPI1 P60174 TPIS_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tertiary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Fatty Alcohols; Lipids; Alcohols; Butanols CC(C)(C)O 46507480 Tert-Butyl_alcohol CHEMBL16502 1363061 DB03900 tert-butanol BE0001534 METAP2 P50579 MAP2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Tertiary alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Fatty Alcohols; Lipids; Alcohols; Butanols CC(C)(C)O 46507480 Tert-Butyl_alcohol CHEMBL16502 1363061 DB03902 Oxalic Acid BE0000838 SRC P12931 SRC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Indicators and Reagents; Reducing Agents; Oxalates; Dicarboxylic Acids; OAT3/SLC22A8 Substrates; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Laboratory Chemicals; Compounds used in a research, industrial, or household setting" OC(=O)C(O)=O 5569 46507830 Oxalic_acid CHEMBL146755 1427058 DB03904 Urea BE0000286 ARG1 P05089 ARGI1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Ureas Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas "Blood Substitutes and Perfusion Solutions; Solutions Producing Osmotic Diuresis; Blood and Blood Forming Organs; Diuretics, Osmotic; Amides; Dermatologicals; Carbamide products; Keratolytic Agents; Emollients and Protectives; i.v. Solutions" NC(N)=O "Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Metolazone Action Pathway; Bumetanide Action Pathway; D-Arginine and D-Ornithine Metabolism; Hyperornithinemia with Gyrate Atrophy (HOGA); Polythiazide Action Pathway; Trichlormethiazide Action Pathway; Hyperprolinemia Type II; Hartnup Disorder; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Indapamide Action Pathway; Torsemide Action Pathway; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Hydrochlorothiazide Action Pathway; Triamterene Action Pathway; Lysinuric Protein Intolerance; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Eplerenone Action Pathway; Hyperprolinemia Type I; Glucose Transporter Defect (SGLT2); Arginine and Proline Metabolism; Methyclothiazide Action Pathway; Cystinuria; Spironolactone Action Pathway; Blue Diaper Syndrome; Furosemide Action Pathway; Quinethazone Action Pathway" disease; metabolic; drug_action 8755 46508687 D00023 PA451831 Urea CHEMBL985 11002 DB03904 Urea BE0000322 CA2 P00918 CAH2_HUMAN 20005709; 27789330; 28705076 "Temperini C, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. X-ray crystal studies of the carbonic anhydrase II-trithiocarbonate adduct--an inhibitor mimicking the sulfonamide and urea binding to the enzyme. Bioorg Med Chem Lett. 2010 Jan 15;20(2):474-8. doi: 10.1016/j.bmcl.2009.11.124. Epub 2009 Nov 27.@@Wahiduzzaman, Dar MA, Haque MA, Idrees D, Hassan MI, Islam A, Ahmad F: Characterization of folding intermediates during urea-induced denaturation of human carbonic anhydrase II. Int J Biol Macromol. 2017 Feb;95:881-887. doi: 10.1016/j.ijbiomac.2016.10.073. Epub 2016 Oct 24.@@Prakash A, Dixit G, Meena NK, Singh R, Vishwakarma P, Mishra S, Lynn AM: Elucidation of stable intermediates in urea-induced unfolding pathway of human carbonic anhydrase IX. J Biomol Struct Dyn. 2018 Jul;36(9):2391-2406. doi: 10.1080/07391102.2017.1355847. Epub 2017 Jul 28." Approved; Investigational Ureas Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas "Blood Substitutes and Perfusion Solutions; Solutions Producing Osmotic Diuresis; Blood and Blood Forming Organs; Diuretics, Osmotic; Amides; Dermatologicals; Carbamide products; Keratolytic Agents; Emollients and Protectives; i.v. Solutions" NC(N)=O "Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Metolazone Action Pathway; Bumetanide Action Pathway; D-Arginine and D-Ornithine Metabolism; Hyperornithinemia with Gyrate Atrophy (HOGA); Polythiazide Action Pathway; Trichlormethiazide Action Pathway; Hyperprolinemia Type II; Hartnup Disorder; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Indapamide Action Pathway; Torsemide Action Pathway; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Hydrochlorothiazide Action Pathway; Triamterene Action Pathway; Lysinuric Protein Intolerance; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Eplerenone Action Pathway; Hyperprolinemia Type I; Glucose Transporter Defect (SGLT2); Arginine and Proline Metabolism; Methyclothiazide Action Pathway; Cystinuria; Spironolactone Action Pathway; Blue Diaper Syndrome; Furosemide Action Pathway; Quinethazone Action Pathway" disease; metabolic; drug_action 8755 46508687 D00023 PA451831 Urea CHEMBL985 11002 DB03904 Urea BE0000985 CTNNB1 P35222 CTNB1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Ureas Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas "Blood Substitutes and Perfusion Solutions; Solutions Producing Osmotic Diuresis; Blood and Blood Forming Organs; Diuretics, Osmotic; Amides; Dermatologicals; Carbamide products; Keratolytic Agents; Emollients and Protectives; i.v. Solutions" NC(N)=O "Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Metolazone Action Pathway; Bumetanide Action Pathway; D-Arginine and D-Ornithine Metabolism; Hyperornithinemia with Gyrate Atrophy (HOGA); Polythiazide Action Pathway; Trichlormethiazide Action Pathway; Hyperprolinemia Type II; Hartnup Disorder; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Indapamide Action Pathway; Torsemide Action Pathway; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Hydrochlorothiazide Action Pathway; Triamterene Action Pathway; Lysinuric Protein Intolerance; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Eplerenone Action Pathway; Hyperprolinemia Type I; Glucose Transporter Defect (SGLT2); Arginine and Proline Metabolism; Methyclothiazide Action Pathway; Cystinuria; Spironolactone Action Pathway; Blue Diaper Syndrome; Furosemide Action Pathway; Quinethazone Action Pathway" disease; metabolic; drug_action 8755 46508687 D00023 PA451831 Urea CHEMBL985 11002 DB03907 "N-[(E)-3-[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitrobenzamide" BE0002089 COMT P21964 COMT_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 5'-deoxyribonucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides" [H]N([H])C1=C2N=CN([C@@H]3O[C@H](\C=C\CN([H])C(=O)C4=C(O)C(O)=CC(=C4)[N+]([O-])=O)[C@@H](O)[C@H]3O)C2=NC=N1 46504513 DB03909 "Adenosine-5'-[Beta, Gamma-Methylene]Triphosphate" BE0000033 INSR P06213 INSR_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" [H][C@]1(COP(O)(=O)OP(O)(=O)CP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O 46506243 CHEMBL133463 DB03909 "Adenosine-5'-[Beta, Gamma-Methylene]Triphosphate" BE0003888 ATP2A1 O14983 AT2A1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" [H][C@]1(COP(O)(=O)OP(O)(=O)CP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O 46506243 CHEMBL133463 DB03909 "Adenosine-5'-[Beta, Gamma-Methylene]Triphosphate" BE0000042 PDXK O00764 PDXK_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" [H][C@]1(COP(O)(=O)OP(O)(=O)CP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O 46506243 CHEMBL133463 DB03909 "Adenosine-5'-[Beta, Gamma-Methylene]Triphosphate" BE0004454 PGK1 P00558 PGK1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" [H][C@]1(COP(O)(=O)OP(O)(=O)CP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O 46506243 CHEMBL133463 DB03921 4-(3-Pyridin-2-Yl-1h-Pyrazol-4-Yl)Quinoline BE0003782 TGFBR1 P36897 TGFR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinolines and derivatives Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives N1C=C(C(=N1)C1=NC=CC=C1)C1=C2C=CC=CC2=NC=C1 46505424 CHEMBL261454 DB03924 "5,8-Di-Amino-1,4-Dihydroxy-Anthraquinone" BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Anthraquinones Organic compounds; Benzenoids; Anthracenes; Anthraquinones NC1=CC=C(N)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O 46504949 CHEMBL572879 DB03928 "Carboxymethylthio-3-(3-Chlorophenyl)-1,2,4-Oxadiazol" BE0000791 CTH P32929 CGL_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenyloxadiazoles Organic compounds; Organoheterocyclic compounds; Azoles; Oxadiazoles OC(=O)CSC1=NC(=NO1)C1=CC=CC(Cl)=C1 46507497 DB03929 D-Serine BE0000365 GRIN1 Q05586 NMDZ1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Experimental Serine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@H](CO)C(O)=O Demeclocycline Action Pathway; Josamycin Action Pathway; Kanamycin Action Pathway; Lincomycin Action Pathway; Gentamicin Action Pathway; Azithromycin Action Pathway; Methacycline Action Pathway; Non-Ketotic Hyperglycinemia; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Amikacin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Doxycycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Telithromycin Action Pathway; Neomycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Sarcosinemia; Arbekacin Action Pathway; Chloramphenicol Action Pathway; Clindamycin Action Pathway disease; metabolic; drug_action 46508200 DCL000784 Serine CHEMBL285123 1742747 DB03929 D-Serine BE0000433 GLRA1 P23415 GLRA1_HUMAN 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Experimental Serine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@H](CO)C(O)=O Demeclocycline Action Pathway; Josamycin Action Pathway; Kanamycin Action Pathway; Lincomycin Action Pathway; Gentamicin Action Pathway; Azithromycin Action Pathway; Methacycline Action Pathway; Non-Ketotic Hyperglycinemia; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Amikacin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Doxycycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Telithromycin Action Pathway; Neomycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Sarcosinemia; Arbekacin Action Pathway; Chloramphenicol Action Pathway; Clindamycin Action Pathway disease; metabolic; drug_action 46508200 DCL000784 Serine CHEMBL285123 1742747 DB03932 LFA703 BE0000516 ITGAL P20701 ITAL_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Naphthalenes Organic compounds; Benzenoids; Naphthalenes [H][C@](C)(CC)C(=O)O[C@@]1([H])C[C@@]([H])(C)C=C2C=C[C@]([H])(C)[C@]([H])(CC[C@@]3([H])C[C@@]([H])(O)CC(=O)N3CC3=CC4=C(C=C3)C(CO)=C(OC)C=C4)[C@@]12[H] 46504607 DB03935 "1,4-Dideoxy-O2-Sulfo-Glucuronic Acid" BE0001015 FGF2 P09038 FGF2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Glucuronic acid derivatives Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@]1(O)O[C@@]([H])(C(O)=O)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O 46508396 DB03937 D-erythrose 4-phosphate BE0001199 GPI P06744 G6PI_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Monosaccharide phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H]C(=O)[C@H](O)[C@H](O)COP(O)(O)=O 46505463 Erythrose_4-phosphate CHEMBL1232448 DB03940 Oxamic Acid BE0000068 LDHB P07195 LDHB_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Glyoxylates; Acids, Aldehydic; Amino Acids, Peptides, and Proteins" NC(=O)C(O)=O 46507735 CHEMBL15976 DB03950 (S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H]N([H])S(=O)(=O)C1=CC=C(C=C1)C(=O)N([H])C[C@H](C)CN1C=CC2=CC=CC=C12 46505986 DB03951 N-acetyl-D-glucosamine-6-phosphate BE0001567 GNPDA1 P46926 GNPI1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Acylaminosugars Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates CC(=O)N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O 46506695 DB03953 Thiocitrulline BE0000005 NOS2 P35228 NOS2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Enzyme Inhibitors; Amino Acids, Peptides, and Proteins; Nitric Oxide Synthase, antagonists & inhibitors; Sulfur Compounds; Amides; Amino Acids, Diamino" [H]N([H])[C@@H](CCCN([H])C(=S)N([H])[H])C(O)=O 46505566 CHEMBL93247 DB03955 1-deoxymannojirimycin BE0003505 MAN2A1 Q16706 MA2A1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Piperidines Organic compounds; Organoheterocyclic compounds; Piperidines Imino Pyranoses; Anti-Infective Agents; Piperidines; Enzyme Inhibitors; Carbohydrates; Imines; Alkaloids; Imino Sugars [H][C@@]1(O)CN[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O 46509136 CHEMBL84844 DB03956 "Inositol 2,4,5-trisphosphate" BE0004490 PLCD1 P51178 PLCD1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Inositol phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@H]1OP(O)(O)=O 46505397 DB03958 7-methyl-guanosine-5'-triphosphate-5'-guanosine BE0001215 DCPS Q96C86 DCPS_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental [H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[N+]2=CN(C)C3=C2N([H])C(=NC3=O)N([H])[H])[C@@H](O)[C@H]1O 46504811 DB03959 "N,O6-Disulfo-Glucosamine" BE0001015 FGF2 P09038 FGF2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@]1(O)O[C@]([H])(COS(O)(=O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])NS(O)(=O)=O 46508184 DB03959 "N,O6-Disulfo-Glucosamine" BE0000689 FGF1 P05230 FGF1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@]1(O)O[C@]([H])(COS(O)(=O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])NS(O)(=O)=O 46508184 DB03959 "N,O6-Disulfo-Glucosamine" BE0001541 HS3ST3A1 Q9Y663 HS3SA_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@]1(O)O[C@]([H])(COS(O)(=O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])NS(O)(=O)=O 46508184 DB03963 S-(Dimethylarsenic)Cysteine BE0001585 XRCC4 Q13426 XRCC4_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental L-cysteine-S-conjugates "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](N)(CS[As](C)C)C(O)=O 46508261 DB03964 4-Hydroxy-Aconitate Ion BE0004504 ACO2 Q99798 ACON_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives [H]\C(C([O-])=O)=C(/C([O-])=O)[C@@]([H])(O)C([O-])=O 46504769 DB03968 "1-Methyl-2-Oxy-5,5-Dimethyl Pyrrolidine" BE0000270 REN P00797 RENI_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-alkylpyrrolidines Organic compounds; Organoheterocyclic compounds; Pyrrolidines; N-alkylpyrrolidines CN1C(=O)CCC1(C)C 46507689 DB03975 Mercuribenzoic Acid BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental 4-Mercuribenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives OC(=O)C1=CC=C([Hg])C=C1 46507167 DB03978 Tyrosinal BE0000230 YARS P54577 SYYC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Amphetamines and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines [H][C@](N)(CC1=CC=C(O)C=C1)C=O 46505540 DB03980 4-(Fluorophenyl)-1-Cyclopropylmethyl-5-(2-Amino-4-Pyrimidinyl)Imidazole BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles NC1=NC(=CC=N1)C1=C(N=CN1CC1CC1)C1=CC=C(F)C=C1 46508668 CHEMBL590753 DB03981 "1,4-Dideoxy-5-Dehydro-O2-Sulfo-Glucuronic Acid" BE0001015 FGF2 P09038 FGF2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Sulfuric acid monoesters Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Sulfuric acid esters [H][C@@]1(O)OC(=C[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O)C(O)=O 46508196 DB03981 "1,4-Dideoxy-5-Dehydro-O2-Sulfo-Glucuronic Acid" BE0001541 HS3ST3A1 Q9Y663 HS3SA_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Sulfuric acid monoesters Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Sulfuric acid esters [H][C@@]1(O)OC(=C[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O)C(O)=O 46508196 DB03982 "Compound 5, 2-(Naphthalen-1-Yl-Oxalyl-Amino)-Benzoicacid" BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acylaminobenzoic acid and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives OC(=O)C(=O)N(C1=CC=CC=C1C(O)=O)C1=CC=CC2=C1C=CC=C2 46506987 CHEMBL64934 DB03984 Morpholine-4-Carboxylic Acid [1-(2-Benzylsulfanyl-1-Formyl-Ethylcarbamoyl)-2-Phenyl-Ethyl]-Amide BE0001646 CTSS P25774 CATS_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CSCC1=CC=CC=C1)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)N1CCOCC1)C=O 46507654 DB03987 "2,4-Diamino-6-[N-(3',5'-Dimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine" BE0000330 DHFR P00374 DYR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Pyrido[2,3-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines; Pyrido[2,3-d]pyrimidines" COC1=CC(OC)=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=C1 46505335 CHEMBL36245 DB03994 Ethanolamine BE0003201 ANXA3 P12429 ANXA3_HUMAN Experimental "1,2-aminoalcohols" Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines Amino Alcohols; Vascular Sclerosing Activity; Sclerosing Solutions; Amines; Alcohols; Ethanolamines; Sclerosing Activity NCCO "Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))" metabolic 46508846 D05074 Ethanolamine CHEMBL104943 24457 DB03996 "3-[(5s)-1-Acetyl-3-(2-Chlorophenyl)-4,5-Dihydro-1h-Pyrazol-5-Yl]Phenol" BE0001852 KIF11 P52732 KIF11_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Chlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes [H][C@]1(CC(=NN1C(C)=O)C1=C(Cl)C=CC=C1)C1=CC=CC(O)=C1 46504828 DB04000 Bromo-Willardiine BE0000829 GRIA2 P42262 GRIA2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CN1C=C(Br)C(=O)NC1=O)C(O)=O 46506954 CHEMBL333964 DB04001 6-(Oxalyl-Amino)-1h-Indole-5-Carboxylic Acid BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolecarboxylic acids Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives OC(=O)C(=O)NC1=CC2=C(C=CN2)C=C1C(O)=O 46507416 CHEMBL342478 DB04002 4-Sulfonamide-[4-(Thiomethylaminobutane)]Benzamide BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCCCNCS 46505100 CHEMBL119084 DB04003 {4-[(2S)-2-Acetamido-3-({(1S)-1-[3-carbamoyl-4-(cyclohexylmethoxy)phenyl]ethyl}amino)-3-oxopropyl]-2-phosphonophenoxy}acetic acid BE0000842 LCK P06239 LCK_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H]N([H])C(=O)C1=C(OCC2CCCCC2)C=CC(=C1)[C@H](C)N([H])C(=O)[C@H](CC1=CC(=C(OCC(O)=O)C=C1)P(O)(O)=O)N([H])C(C)=O 46509016 DB04005 Uridine 5'-triphosphate BE0001480 UCK2 Q9BZX2 UCK2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental; Investigational Pyrimidine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides" "Pyrimidine Nucleotides; Ribonucleotides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Uracil Nucleotides" O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O 46507277 DNC001492 Uridine_triphosphate CHEMBL336296 DB04006 "[2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo[1,2-a]Pyridin-3-Yl]-Phenyl-Methanone" BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds NC1=C(N2C=C(C=CC2=N1)C(=O)C1=C(F)C=CC=C1F)C(=O)C1=CC=CC=C1 46508918 CHEMBL189607 DB04009 Dimethyl Propionate Ester Heme BE0001173 CYB5A P00167 CYB5_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental COC(=O)CCC1=C(C)C2=CC3=C(C=C)C(C)=C4C=C5N6C(=CC7=C(C)C(CCC(=O)OC)=C8C=C1N2[Fe@@]6(N78)N34)C(C)=C5C=C 46505974 DB04010 2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide BE0001717 PARP1 P09874 PARP1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylbenzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Phenylbenzimidazoles COC1=CC=CC(=C1)C1=NC2=C(N1)C=CC=C2C(N)=O 46505442 CHEMBL134022 DB04012 "(3r)-4-(P-Toluenesulfonyl)-1,4-Thiazane-3-Carboxylicacid-L-Leucine" BE0000695 FKBP1A P62942 FKB1A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CC(C)C)(NC(=O)[C@]1([H])CSCCN1S(=O)(=O)C1=CC=C(C)C=C1)C(O)=O 46506052 DB04014 Alsterpaullone BE0001065 GSK3B P49841 GSK3B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines "CDC2 Protein Kinase; Heterocyclic Compounds, Fused-Ring" [O-][N+](=O)C1=CC2=C(NC3=C2CC(=O)NC2=C3C=CC=C2)C=C1 46504736 DNC000188 CHEMBL50894 DB04014 Alsterpaullone BE0001082 CDK1 P06493 CDK1_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Benzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines "CDC2 Protein Kinase; Heterocyclic Compounds, Fused-Ring" [O-][N+](=O)C1=CC2=C(NC3=C2CC(=O)NC2=C3C=CC=C2)C=C1 46504736 DNC000188 CHEMBL50894 DB04020 "4-(2-{[4-{[3-(4-Chlorophenyl)Propyl]Sulfanyl}-6-(1-Piperazinyl)-1,3,5-Triazin-2-Yl]Amino}Ethyl)Phenol" BE0000792 ESR2 Q92731 ESR2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines OC1=CC=C(CCNC2=NC(SCCCC3=CC=C(Cl)C=C3)=NC(=N2)N2CCNCC2)C=C1 46505687 CHEMBL346455 DB04036 Coenzyme A persulfide BE0000397 IVD P26440 IVD_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Coenzyme A and derivatives "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" [H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSS)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1 46504967 DB04050 N-Propyl Isocyanide BE0004467 MB P02144 MYG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Organic isocyanides Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Organic isocyanides CCC[N+]#[C-] 46505477 DB04054 "9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives CCCCN1C(CC2=C(OC)C=CC(OC)=C2)=NC2=C(N)N=C(F)N=C12 46507870 CHEMBL326651 DB04057 "N-[4-([(2-Amino-4-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]{(2E)-3-[4-carbamoyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-yl]-2-propenoyl}amino)benzoyl]-L-glutamic acid" BE0001240 ATIC P31939 PUR9_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-ribosyl-imidazolecarboxamides "Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides" [H]N([H])C(=O)C1=C(\C=C\C(=O)N(CC2=NC3=C(C=C2)N([H])C(=NC3=O)N([H])[H])C2=CC=C(C=C2)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O 46507189 DB04066 p-Coumaric acid BE0003795 PTGR1 Q14914 PTGR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydroxycinnamic acids Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives "Antioxidants; Anti-Infective Agents; Contraceptive Agents, Male; Biological Factors; Adrenal Cortex Hormones; Acids, Carbocyclic; Protective Agents; Free Radical Scavengers; Hormonal Contraceptives for Systemic Use; Cinnamates; Reproductive Control Agents; Compounds used in a research, industrial, or household setting" OC(=O)\C=C\C1=CC=C(O)C=C1 46508796 P-Coumaric_acid CHEMBL66879 1485787 DB04069 "5,6-Dihydro-Benzo[H]Cinnolin-3-Ylamine" BE0001776 DAPK1 P53355 DAPK1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenes Organic compounds; Benzenoids; Naphthalenes NC1=NN=C2C(CCC3=CC=CC=C23)=C1 46505857 DB04071 Cpad BE0000465 ADH1C P00326 ADH1G_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleotide sugars "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars" NC(=O)C1=NC(=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 46507346 CHEMBL1235132 DB04072 Alpha-Methylisocitric Acid BE0004504 ACO2 Q99798 ACON_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives C[C@@](O)([C@H](CC(O)=O)C(O)=O)C(O)=O 46507976 DB04074 alpha-Ketoisovalerate BE0000721 BCAT2 O15382 BCAT2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Short-chain keto acids and derivatives Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives Pentanoic Acids; Terpenes CC(C)C(=O)C(O)=O "Isobutyryl-CoA Dehydrogenase Deficiency; 3-Methylglutaconic Aciduria Type IV; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Methylglutaconic Aciduria Type III; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; 3-Methylglutaconic Aciduria Type I; Propionic Acidemia; 3-Hydroxyisobutyric Aciduria; 3-Hydroxyisobutyric Acid Dehydrogenase Deficiency; Methylmalonate Semialdehyde Dehydrogenase Deficiency; beta-Ketothiolase Deficiency; Isovaleric Aciduria; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Isovaleric Acidemia; Methylmalonic Aciduria" disease; metabolic 46508074 Alpha-Ketoisovaleric_acid CHEMBL146554 DB04076 Hypoxanthine BE0000250 PNP P00491 PNPH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Purinones; Cytochrome P-450 CYP1A2 Substrates; Xanthine derivatives" O=C1N=CNC2=C1NC=N2 Gout or Kelley-Seegmiller Syndrome; Purine Metabolism; Lesch-Nyhan Syndrome (LNS); Myoadenylate Deaminase Deficiency; Molybdenum Cofactor Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Thioguanine Action Pathway; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Purine Nucleoside Phosphorylase Deficiency; Adenylosuccinate Lyase Deficiency; Xanthinuria Type II disease; metabolic; drug_action 46507200 Hypoxanthine CHEMBL1427 DB04080 RU78191 BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives OC(=O)C(C(O)=O)C1=CC=CC=C1 46507607 CHEMBL78794 DB04081 "(4s-Trans)-4-(Methylamino)-5,6-Dihydro-6-Methyl-4h-Thieno(2,3-B)Thiopyran-2-Sulfonamide-7,7-Dioxide" BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental "2,3,5-trisubstituted thiophenes" "Organic compounds; Organoheterocyclic compounds; Thiophenes; 2,3,5-trisubstituted thiophenes" [H][C@]1(C)C[C@]([H])(NC)C2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O 46506440 CHEMBL273822 DB04083 N(6)-(pyridoxal phosphate)-L-lysine BE0000273 CCBL1 Q16773 KAT1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental CC1=NC=C(COP(O)(O)=O)C(\C=N\CCCC[C@H](N)C(O)=O)=C1O 46505083 DB04083 N(6)-(pyridoxal phosphate)-L-lysine BE0000404 ODC1 P11926 DCOR_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental CC1=NC=C(COP(O)(O)=O)C(\C=N\CCCC[C@H](N)C(O)=O)=C1O 46505083 DB04088 2-[{4-[(2S)-2-{[(Allyloxy)carbonyl]amino}-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]phenyl}(carboxycarbonyl)amino]benzoic acid BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H]N(CCCCOC1=CC=CC(O)=C1C(=O)OC)C(=O)[C@H](CC1=CC=C(C=C1)N(C(=O)C(O)=O)C1=CC=CC=C1C(O)=O)N([H])C(=O)OCC=C 46506877 DNC000977 CHEMBL325029 DB04089 AL5300 BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thienothiazines Organic compounds; Organoheterocyclic compounds; Thienothiazines [H][C@]1(O)CN(CC2=CC=CS2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O 46509167 DB04090 RH-1 BE0001184 NQO1 P15559 NQO1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental; Investigational P-benzoquinones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds CC1=C(N2CC2)C(=O)C(CO)=C(N2CC2)C1=O 46504603 CHEMBL1235676 DB04094 4-hydroxybutan-2-one BE0000695 FKBP1A P62942 FKB1A_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Beta-hydroxy ketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Ketones CC(=O)CCO 46508666 DB04098 Balanol BE0003761 PRKACA P17612 KAPCA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones "Cyclic AMP-Dependent Protein Kinases, antagonists & inhibitors; Benzoates; Acids, Carbocyclic; Hydroxy Acids; Phenols; Benzene Derivatives" OC(=O)C1=CC=CC(O)=C1C(=O)C1=C(O)C=C(C=C1O)C(=O)O[C@@H]1CCCNC[C@@H]1NC(=O)C1=CC=C(O)C=C1 46508378 Balanol CHEMBL307747 DB04099 Deamido-Nad+ BE0001809 NMNAT1 Q9HAN9 NMNA1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental (5'->5')-dinucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides" NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[N+]4=CC=CC(=C4)C(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 46507165 DB04101 "N'-[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-2-pyrimidinyl]-N-hydroxyimidoformamide" BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,4,5-trisubstituted thiazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles CC1=NC(C)=C(S1)C1=NC(\N=C\NO)=NC=C1 46506878 CHEMBL1231801 DB04106 Fotemustine BE0001979 TXNRD1 Q16881 TRXR1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational Dialkyl alkylphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Phosphonic acid diesters Nitrosoureas; Nitroso Compounds; Antineoplastic and Immunomodulating Agents; Alkylating Drugs; Amides; Antineoplastic Agents CCOP(=O)(OCC)[C@@H](C)NC(=O)N(CCCl)N=O 46505097 Fotemustine DB04108 "(2s,3r)-3-Amino-2-Hydroxy-5-(Ethylsulfanyl)Pentanoyl-((S)-(-)-(1-Naphthyl)Ethyl)Amide" BE0001534 METAP2 P50579 MAP2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Beta amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](N)(CCSCC)[C@]([H])(O)C(=O)N[C@@]([H])(C)C1=C2C=CC=CC2=CC=C1 46508224 DB04113 N-Formylpiperidine BE0000465 ADH1C P00326 ADH1G_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Piperidines Organic compounds; Organoheterocyclic compounds; Piperidines "Alcohol Dehydrogenase, antagonists & inhibitors" [H]C(=O)N1CCCCC1 46508673 N-Formylpiperidine CHEMBL1232817 DB04115 Berberine BE0003408 BIRC5 O15392 BIRC5_HUMAN 17968851 "Wang Z, Guo X, Liu Z, Cui M, Song F, Liu S: Studies on alkaloids binding to GC-rich human survivin promoter DNA using positive and negative ion electrospray ionization mass spectrometry. J Mass Spectrom. 2008 Mar;43(3):327-35." Approved; Investigational Protoberberine alkaloids and derivatives Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives "Benzylisoquinolines; Heterocyclic Compounds, Fused-Ring; Alkaloids; Berberine Alkaloids" COC1=CC=C2C=C3C4=CC5=C(OCO5)C=C4CC[N+]3=CC2=C1OC 46506051 D00092 PA165860812 DNC000385 Berberine CHEMBL295124 1437 DB04119 Hexatantalum Dodecabromide BE0004076 CAMK2A Q9UQM7 KCC2A_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.[Br-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta+] 46506269 DB04119 Hexatantalum Dodecabromide BE0004573 UBA1 P22314 UBA1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.[Br-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta+] 46506269 DB04126 N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-2-Methyl-Butane BE0000939 CTSB P07858 CATB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Leucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](O)(CC(O)=O)C(=O)N[C@@]([H])(CC(C)C)C(=O)NCCC(C)C 46505427 DB04126 N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-2-Methyl-Butane BE0003970 CTSH P09668 CATH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Leucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](O)(CC(O)=O)C(=O)N[C@@]([H])(CC(C)C)C(=O)NCCC(C)C 46505427 DB04129 Willardiine BE0000829 GRIA2 P42262 GRIA2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Pyrimidinones; Amino Acids; Pyrimidines; Amino Acids, Peptides, and Proteins" NOC(=O)CCN1C=CC(=O)NC1=O 46504988 CHEMBL122005 DB04137 Guanosine-5'-Triphosphate BE0004582 UCKL1 Q9NWZ5 UCKL1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46507835 CHEMBL1233147 DB04137 Guanosine-5'-Triphosphate BE0001076 HRAS P01112 RASH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46507835 CHEMBL1233147 DB04137 Guanosine-5'-Triphosphate BE0004602 RND3 P61587 RND3_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46507835 CHEMBL1233147 DB04137 Guanosine-5'-Triphosphate BE0004594 RHEB Q15382 RHEB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46507835 CHEMBL1233147 DB04137 Guanosine-5'-Triphosphate BE0004533 RAB5A P20339 RAB5A_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46507835 CHEMBL1233147 DB04137 Guanosine-5'-Triphosphate BE0000180 GLUD1 P00367 DHE3_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46507835 CHEMBL1233147 DB04137 Guanosine-5'-Triphosphate BE0002231 ADSSL1 Q8N142 PURA1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46507835 CHEMBL1233147 DB04137 Guanosine-5'-Triphosphate BE0001843 RAP2A P10114 RAP2A_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine ribonucleoside triphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46507835 CHEMBL1233147 DB04141 "2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol" BE0001005 UQCRC1 P31930 QCR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty acyl glycosides of mono- and disaccharides Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides [H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O 46505303 DB04141 "2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol" BE0003855 UQCRC2 P22695 QCR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty acyl glycosides of mono- and disaccharides Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides [H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O 46505303 DB04141 "2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol" BE0003856 UQCRH P07919 QCR6_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty acyl glycosides of mono- and disaccharides Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides [H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O 46505303 DB04141 "2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol" BE0003858 UQCRFS1 P47985 UCRI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty acyl glycosides of mono- and disaccharides Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides [H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O 46505303 DB04141 "2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol" BE0000176 SDHA P31040 SDHA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty acyl glycosides of mono- and disaccharides Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides [H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O 46505303 DB04141 "2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol" BE0002254 SDHB P21912 SDHB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty acyl glycosides of mono- and disaccharides Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides [H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O 46505303 DB04141 "2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol" BE0003887 ETFDH Q16134 ETFD_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty acyl glycosides of mono- and disaccharides Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides [H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O 46505303 DB04141 "2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol" BE0002257 SDHC Q99643 C560_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty acyl glycosides of mono- and disaccharides Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides [H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O 46505303 DB04141 "2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol" BE0000214 ABO P16442 BGAT_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty acyl glycosides of mono- and disaccharides Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides [H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O 46505303 DB04142 "3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid Dimethylamide" BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)N(C)C 46505818 DB04147 Dodecyldimethylamine N-oxide BE0004166 DSTN P60981 DEST_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain alkyl amine oxides Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Aminoxides "Methylamines; Detergents; Amines; Surface-Active Agents; Household Products; Compounds used in a research, industrial, or household setting" CCCCCCCCCCCC[N+](C)(C)[O-] 46506355 CHEMBL1233973 DB04147 Dodecyldimethylamine N-oxide BE0004168 NFE2L1 Q14494 NF2L1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain alkyl amine oxides Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Aminoxides "Methylamines; Detergents; Amines; Surface-Active Agents; Household Products; Compounds used in a research, industrial, or household setting" CCCCCCCCCCCC[N+](C)(C)[O-] 46506355 CHEMBL1233973 DB04147 Dodecyldimethylamine N-oxide BE0004174 CFL1 P23528 COF1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain alkyl amine oxides Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Aminoxides "Methylamines; Detergents; Amines; Surface-Active Agents; Household Products; Compounds used in a research, industrial, or household setting" CCCCCCCCCCCC[N+](C)(C)[O-] 46506355 CHEMBL1233973 DB04149 (R)-Rolipram BE0000487 PDE4B Q07343 PDE4B_HUMAN inhibitor 17139284; 17016423; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Phenylpyrrolidines Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines [H][C@]1(CNC(=O)C1)C1=CC(OC2CCCC2)=C(OC)C=C1 46507909 PA153906323 DNC000014 CHEMBL430893 DB04149 (R)-Rolipram BE0001287 PDE4D Q08499 PDE4D_HUMAN Experimental Phenylpyrrolidines Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines [H][C@]1(CNC(=O)C1)C1=CC(OC2CCCC2)=C(OC)C=C1 46507909 PA153906323 DNC000014 CHEMBL430893 DB04150 "N-alpha-Acetyl-3,5-diiodotyrosyl-D-threonine" BE0002200 PAM P19021 AMD_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H]N([C@@H](CC1=CC(I)=C(O)C(I)=C1)C(=O)N([H])[C@H]([C@@H](C)O)C(O)=O)C(C)=O 46505151 DB04152 "2-Amino-3-(3-Hydroxy-7,8-Dihydro-6h-Cyclohepta[D]-4-Isoxazolyl)Propionic Acid" BE0000829 GRIA2 P42262 GRIA2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CC1=CCCCC2=C1C(=O)NO2)C(O)=O 46507460 CHEMBL28472 DB04156 Aspartate beryllium trifluoride BE0004551 CTDSP1 Q9GZU7 CTDS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N[C@@H](CC(=O)O[Be--](F)(F)F)C(O)=O 46508457 DB04166 Anthranilic acid BE0004566 IL4I1 Q96RQ9 OXLA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminobenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Central Nervous System Agents; Benzoates; Acids, Carbocyclic; Benzene Derivatives; Aminobenzoates" NC1=CC=CC=C1C(O)=O 46504575 PA10247 Anthranilic_acid CHEMBL14173 DB04166 Anthranilic acid BE0004141 DAO P14920 OXDA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminobenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Central Nervous System Agents; Benzoates; Acids, Carbocyclic; Benzene Derivatives; Aminobenzoates" NC1=CC=CC=C1C(O)=O 46504575 PA10247 Anthranilic_acid CHEMBL14173 DB04178 Di-Stearoyl-3-Sn-Phosphatidylcholine BE0001112 BPI P17213 BPI_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phosphatidylcholines Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC 46507572 DB04180 "4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide" BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-benzylbenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C=C(F)C=C1 46505075 DB04186 "N'-(Pyrrolidino[2,1-B]Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea" BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoindolones Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindolines [H][C@]12CCCN1C(=O)C1=C2C(NC(=O)NC2=CC=CC=N2)=CC=C1 46509146 CHEMBL141247 DB04197 Descarboxy-nor-N(Omega)-Hydroxy-L-Arginine BE0000286 ARG1 P05089 ARGI1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-hydroxyguanidines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines N\C(NO)=N/CCC[NH3+] 46508352 DB04203 3-Mercuri-4-Aminobenzenesulfonamide BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Aminobenzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NC1=CC=C(C=C1[Hg])S(N)(=O)=O 46506786 DB04204 [(4-{4-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Butyl}-Phenyl)-Difluoro-Methyl]-Phosphonic Acid BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives OP(O)(=O)C(F)(F)C1=CC=C(CCCCC2=CC=C(C=C2)C(F)(F)P(O)(O)=O)C=C1 46504784 CHEMBL1161222 DB04207 L-Saccharopine BE0000073 AASS Q9UDR5 AASS_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Basic; Amino Acids, Peptides, and Proteins; Amino Acids, Diamino" N[C@@H](CCCCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O "Glutaric Aciduria Type I; Hyperlysinemia II or Saccharopinuria; Hyperlysinemia I, Familial; 2-Aminoadipic 2-Oxoadipic Aciduria; Saccharopinuria/Hyperlysinemia II; Lysine Degradation; Pyridoxine Dependency with Seizures" disease; metabolic 46505056 Saccharopine DB04209 Dequalinium BE0000553 KCNMA1 Q12791 KCMA1_HUMAN inhibitor 8100530 "Castle NA, Haylett DG, Morgan JM, Jenkinson DH: Dequalinium: a potent inhibitor of apamin-sensitive K+ channels in hepatocytes and of nicotinic responses in skeletal muscle. Eur J Pharmacol. 1993 May 19;236(2):201-7." Approved; Investigational 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Quinolinium Compounds; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Quinoline Derivatives; Throat Preparations; Anti-Bacterial Agents; Gynecological Antiinfectives and Antiseptics; Dermatologicals; Genito Urinary System and Sex Hormones; Anti-Infective Agents, Local; Quinolines; Miscellaneous Anti-infectives; Antiseptics and Disinfectants" CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C(C)C=C(N)C2=C1C=CC=C2 5913 46507206 Dequalinium CHEMBL333826 3226 DB04209 Dequalinium BE0004427 KCNN3 Q9UGI6 KCNN3_HUMAN blocker 33577890 Bailly C: Medicinal applications and molecular targets of dequalinium chloride. Biochem Pharmacol. 2021 Apr;186:114467. doi: 10.1016/j.bcp.2021.114467. Epub 2021 Feb 10. Approved; Investigational 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Quinolinium Compounds; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Quinoline Derivatives; Throat Preparations; Anti-Bacterial Agents; Gynecological Antiinfectives and Antiseptics; Dermatologicals; Genito Urinary System and Sex Hormones; Anti-Infective Agents, Local; Quinolines; Miscellaneous Anti-infectives; Antiseptics and Disinfectants" CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C(C)C=C(N)C2=C1C=CC=C2 5913 46507206 Dequalinium CHEMBL333826 3226 DB04209 Dequalinium BE0004895 PRKCA Q05513 KPCZ_HUMAN inhibitor 33577890 Bailly C: Medicinal applications and molecular targets of dequalinium chloride. Biochem Pharmacol. 2021 Apr;186:114467. doi: 10.1016/j.bcp.2021.114467. Epub 2021 Feb 10. Approved; Investigational 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Quinolinium Compounds; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Quinoline Derivatives; Throat Preparations; Anti-Bacterial Agents; Gynecological Antiinfectives and Antiseptics; Dermatologicals; Genito Urinary System and Sex Hormones; Anti-Infective Agents, Local; Quinolines; Miscellaneous Anti-infectives; Antiseptics and Disinfectants" CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C(C)C=C(N)C2=C1C=CC=C2 5913 46507206 Dequalinium CHEMBL333826 3226 DB04209 Dequalinium BE0000878 SNCA P37840 SYUA_HUMAN modulator 33577890 Bailly C: Medicinal applications and molecular targets of dequalinium chloride. Biochem Pharmacol. 2021 Apr;186:114467. doi: 10.1016/j.bcp.2021.114467. Epub 2021 Feb 10. Approved; Investigational 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Quinolinium Compounds; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Quinoline Derivatives; Throat Preparations; Anti-Bacterial Agents; Gynecological Antiinfectives and Antiseptics; Dermatologicals; Genito Urinary System and Sex Hormones; Anti-Infective Agents, Local; Quinolines; Miscellaneous Anti-infectives; Antiseptics and Disinfectants" CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C(C)C=C(N)C2=C1C=CC=C2 5913 46507206 Dequalinium CHEMBL333826 3226 DB04214 4-Nitrophenyl Phosphate BE0003786 ACP1 P24666 PPAC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters "Indicators and Reagents; Coloring Agents; Nitro Compounds; Phenols; Chromogenic Compounds; Benzene Derivatives; Laboratory Chemicals; Compounds used in a research, industrial, or household setting" OP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O 46506564 CHEMBL24231 DB04216 Quercetin BE0001315 PIK3CG P48736 PK3CG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors" OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 46506533 DAP001419 Quercetin CHEMBL50 9060 DB04216 Quercetin BE0003840 ATP5A1 P25705 ATPA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors" OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 46506533 DAP001419 Quercetin CHEMBL50 9060 DB04216 Quercetin BE0003841 ATP5B P06576 ATPB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors" OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 46506533 DAP001419 Quercetin CHEMBL50 9060 DB04216 Quercetin BE0004327 HIBCH Q6NVY1 HIBCH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors" OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 46506533 DAP001419 Quercetin CHEMBL50 9060 DB04216 Quercetin BE0004328 STK17B O94768 ST17B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors" OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 46506533 DAP001419 Quercetin CHEMBL50 9060 DB04216 Quercetin BE0000123 ESR1 P03372 ESR1_HUMAN 11502892; 15182386; 15937998; 9751507 "Maggiolini M, Bonofiglio D, Marsico S, Panno ML, Cenni B, Picard D, Ando S: Estrogen receptor alpha mediates the proliferative but not the cytotoxic dose-dependent effects of two major phytoestrogens on human breast cancer cells. Mol Pharmacol. 2001 Sep;60(3):595-602.@@Leung LK, Po LS, Lau TY, Yuen YM: Effect of dietary flavonols on oestrogen receptor transactivation and cell death induction. Br J Nutr. 2004 Jun;91(6):831-9.@@van der Woude H, Ter Veld MG, Jacobs N, van der Saag PT, Murk AJ, Rietjens IM: The stimulation of cell proliferation by quercetin is mediated by the estrogen receptor. Mol Nutr Food Res. 2005 Aug;49(8):763-71.@@Kuiper GG, Lemmen JG, Carlsson B, Corton JC, Safe SH, van der Saag PT, van der Burg B, Gustafsson JA: Interaction of estrogenic chemicals and phytoestrogens with estrogen receptor beta. Endocrinology. 1998 Oct;139(10):4252-63." Experimental; Investigational Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors" OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 46506533 DAP001419 Quercetin CHEMBL50 9060 DB04216 Quercetin BE0000792 ESR2 Q92731 ESR2_HUMAN 11502892; 15182386; 15937998; 9751507 "Maggiolini M, Bonofiglio D, Marsico S, Panno ML, Cenni B, Picard D, Ando S: Estrogen receptor alpha mediates the proliferative but not the cytotoxic dose-dependent effects of two major phytoestrogens on human breast cancer cells. Mol Pharmacol. 2001 Sep;60(3):595-602.@@Leung LK, Po LS, Lau TY, Yuen YM: Effect of dietary flavonols on oestrogen receptor transactivation and cell death induction. Br J Nutr. 2004 Jun;91(6):831-9.@@van der Woude H, Ter Veld MG, Jacobs N, van der Saag PT, Murk AJ, Rietjens IM: The stimulation of cell proliferation by quercetin is mediated by the estrogen receptor. Mol Nutr Food Res. 2005 Aug;49(8):763-71.@@Kuiper GG, Lemmen JG, Carlsson B, Corton JC, Safe SH, van der Saag PT, van der Burg B, Gustafsson JA: Interaction of estrogenic chemicals and phytoestrogens with estrogen receptor beta. Endocrinology. 1998 Oct;139(10):4252-63." Experimental; Investigational Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors" OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 46506533 DAP001419 Quercetin CHEMBL50 9060 DB04216 Quercetin BE0003721 AHR P35869 AHR_HUMAN 19299563 "Flaveny CA, Murray IA, Chiaro CR, Perdew GH: Ligand selectivity and gene regulation by the human aryl hydrocarbon receptor in transgenic mice. Mol Pharmacol. 2009 Jun;75(6):1412-20. doi: 10.1124/mol.109.054825. Epub 2009 Mar 19." Experimental; Investigational Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors" OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 46506533 DAP001419 Quercetin CHEMBL50 9060 DB04216 Quercetin BE0004966 ACTB P60709 ACTB_HUMAN 21798748 "Wang RE, Hunt CR, Chen J, Taylor JS: Biotinylated quercetin as an intrinsic photoaffinity proteomics probe for the identification of quercetin target proteins. Bioorg Med Chem. 2011 Aug 15;19(16):4710-20. doi: 10.1016/j.bmc.2011.07.005. Epub 2011 Jul 13." Experimental; Investigational Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors" OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 46506533 DAP001419 Quercetin CHEMBL50 9060 DB04216 Quercetin BE0001209 CSNK2A1 P68400 CSK21_HUMAN 21798748 "Wang RE, Hunt CR, Chen J, Taylor JS: Biotinylated quercetin as an intrinsic photoaffinity proteomics probe for the identification of quercetin target proteins. Bioorg Med Chem. 2011 Aug 15;19(16):4710-20. doi: 10.1016/j.bmc.2011.07.005. Epub 2011 Jul 13." Experimental; Investigational Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors" OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 46506533 DAP001419 Quercetin CHEMBL50 9060 DB04216 Quercetin BE0009017 EIF3F O00303 EIF3F_HUMAN 21798748 "Wang RE, Hunt CR, Chen J, Taylor JS: Biotinylated quercetin as an intrinsic photoaffinity proteomics probe for the identification of quercetin target proteins. Bioorg Med Chem. 2011 Aug 15;19(16):4710-20. doi: 10.1016/j.bmc.2011.07.005. Epub 2011 Jul 13." Experimental; Investigational Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors" OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 46506533 DAP001419 Quercetin CHEMBL50 9060 DB04216 Quercetin BE0001120 HSP90AA1 P07900 HS90A_HUMAN 21798748 "Wang RE, Hunt CR, Chen J, Taylor JS: Biotinylated quercetin as an intrinsic photoaffinity proteomics probe for the identification of quercetin target proteins. Bioorg Med Chem. 2011 Aug 15;19(16):4710-20. doi: 10.1016/j.bmc.2011.07.005. Epub 2011 Jul 13." Experimental; Investigational Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors" OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 46506533 DAP001419 Quercetin CHEMBL50 9060 DB04216 Quercetin BE0009018 HSPA2 P54652 HSP72_HUMAN 21798748 "Wang RE, Hunt CR, Chen J, Taylor JS: Biotinylated quercetin as an intrinsic photoaffinity proteomics probe for the identification of quercetin target proteins. Bioorg Med Chem. 2011 Aug 15;19(16):4710-20. doi: 10.1016/j.bmc.2011.07.005. Epub 2011 Jul 13." Experimental; Investigational Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors" OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 46506533 DAP001419 Quercetin CHEMBL50 9060 DB04216 Quercetin BE0009019 RUVBL2 Q9Y230 RUVB2_HUMAN 21798748 "Wang RE, Hunt CR, Chen J, Taylor JS: Biotinylated quercetin as an intrinsic photoaffinity proteomics probe for the identification of quercetin target proteins. Bioorg Med Chem. 2011 Aug 15;19(16):4710-20. doi: 10.1016/j.bmc.2011.07.005. Epub 2011 Jul 13." Experimental; Investigational Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors" OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 46506533 DAP001419 Quercetin CHEMBL50 9060 DB04216 Quercetin BE0009020 SF3B3 Q15393 SF3B3_HUMAN 21798748 "Wang RE, Hunt CR, Chen J, Taylor JS: Biotinylated quercetin as an intrinsic photoaffinity proteomics probe for the identification of quercetin target proteins. Bioorg Med Chem. 2011 Aug 15;19(16):4710-20. doi: 10.1016/j.bmc.2011.07.005. Epub 2011 Jul 13." Experimental; Investigational Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors" OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 46506533 DAP001419 Quercetin CHEMBL50 9060 DB04216 Quercetin BE0004573 UBA1 P22314 UBA1_HUMAN 21798748 "Wang RE, Hunt CR, Chen J, Taylor JS: Biotinylated quercetin as an intrinsic photoaffinity proteomics probe for the identification of quercetin target proteins. Bioorg Med Chem. 2011 Aug 15;19(16):4710-20. doi: 10.1016/j.bmc.2011.07.005. Epub 2011 Jul 13." Experimental; Investigational Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors" OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 46506533 DAP001419 Quercetin CHEMBL50 9060 DB04216 Quercetin BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Experimental; Investigational Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors" OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 46506533 DAP001419 Quercetin CHEMBL50 9060 DB04217 L-2-amino-3-butynoic acid BE0000791 CTH P32929 CGL_HUMAN 10954021; 10592235 "Yu S, Sugahara K, Nakayama K, Awata S, Kodama H: Accumulation of cystathionine, cystathionine ketimine, and perhydro-1,4-thiazepine-3,5-dicarboxylic acid in whole brain and various regions of the brain of D, L-propargylglycine-treated rats. Metabolism. 2000 Aug;49(8):1025-9.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Acids, Acyclic; Amino Acids, Peptides, and Proteins; Butyrates" N[C@@H](C#C)C(O)=O 46505992 DB04218 1-Deaza-Adenosine BE0002214 ADA P00813 ADA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Glycosylamines Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)C=CN=C23)[C@]([H])(O)[C@]1([H])O 46505798 CHEMBL115824 DB04223 Nitroarginine BE0000067 NOS1 P29475 NOS1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Basic; Enzyme Inhibitors; Amino Acids, Peptides, and Proteins; Arginine; Amino Acids, Diamino" N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O 46508354 Nitroarginine CHEMBL227744 DB04224 Oleic Acid BE0000071 PPARA Q07869 PPARA_HUMAN 10403814; 15491415; 16731579 "Murakami K, Ide T, Suzuki M, Mochizuki T, Kadowaki T: Evidence for direct binding of fatty acids and eicosanoids to human peroxisome proliferators-activated receptor alpha. Biochem Biophys Res Commun. 1999 Jul 14;260(3):609-13.@@Downie MM, Sanders DA, Maier LM, Stock DM, Kealey T: Peroxisome proliferator-activated receptor and farnesoid X receptor ligands differentially regulate sebaceous differentiation in human sebaceous gland organ cultures in vitro. Br J Dermatol. 2004 Oct;151(4):766-75.@@Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26." Approved; Investigational; Vet_approved Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Fatty Acids, Monounsaturated; Oleic Acids; Lipids; Fatty Acids; Fatty Acids, Unsaturated" CCCCCCCC\C=C\CCCCCCCC(O)=O 6910 46506835 D02315 Oleic_acid CHEMBL460657 7631 DB04224 Oleic Acid BE0001007 PPARD Q03181 PPARD_HUMAN 16731579 "Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26." Approved; Investigational; Vet_approved Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Fatty Acids, Monounsaturated; Oleic Acids; Lipids; Fatty Acids; Fatty Acids, Unsaturated" CCCCCCCC\C=C\CCCCCCCC(O)=O 6910 46506835 D02315 Oleic_acid CHEMBL460657 7631 DB04224 Oleic Acid BE0000412 RXRA P19793 RXRA_HUMAN 16731579 "Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26." Approved; Investigational; Vet_approved Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Fatty Acids, Monounsaturated; Oleic Acids; Lipids; Fatty Acids; Fatty Acids, Unsaturated" CCCCCCCC\C=C\CCCCCCCC(O)=O 6910 46506835 D02315 Oleic_acid CHEMBL460657 7631 DB04224 Oleic Acid BE0000215 PPARG P37231 PPARG_HUMAN ligand 24998974 "Zhang L, Ren XM, Wan B, Guo LH: Structure-dependent binding and activation of perfluorinated compounds on human peroxisome proliferator-activated receptor gamma. Toxicol Appl Pharmacol. 2014 Sep 15;279(3):275-83. doi: 10.1016/j.taap.2014.06.020. Epub 2014 Jul 3." Approved; Investigational; Vet_approved Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Fatty Acids, Monounsaturated; Oleic Acids; Lipids; Fatty Acids; Fatty Acids, Unsaturated" CCCCCCCC\C=C\CCCCCCCC(O)=O 6910 46506835 D02315 Oleic_acid CHEMBL460657 7631 DB04230 Nitromethyldethia coenzyme A BE0004459 CS O75390 CISY_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" [H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCC[N+]([O-])=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1 46507227 DB04250 Butyrylthiocholine BE0002180 BCHE P06276 CHLE_HUMAN substrate 16837465; 10592235 "Bourne Y, Radic Z, Sulzenbacher G, Kim E, Taylor P, Marchot P: Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding. J Biol Chem. 2006 Sep 29;281(39):29256-67. doi: 10.1074/jbc.M603018200. Epub 2006 Jul 12.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty acyl thioesters Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters Quaternary Ammonium Compounds; Thiocholine; Onium Compounds; Amines; Trimethyl Ammonium Compounds; Cholinesterase substrates; Sulfur Compounds; Sulfhydryl Compounds CCCC(=O)SCC[N+](C)(C)C 46508351 CHEMBL139908 DB04254 "8-Benzo[1,3]Dioxol-,5-Ylmethyl-9-Butyl-2-Fluoro-9h-Purin-6-Ylamine" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives CCCCN1C(CC2=CC3=C(OCO3)C=C2)=NC2=C(N)N=C(F)N=C12 46505731 CHEMBL109822 DB04256 (S)-alpha-methyl-4-carboxyphenylglycine BE0000824 GRM1 Q13255 GRM1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" C[C@@](N)(C(O)=O)C1=CC=C(C=C1)C(O)=O 46508907 CHEMBL257626 DB04258 Seocalcitol BE0000779 VDR P11473 VDR_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Investigational Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives Cholestanes; Fused-Ring Compounds; Immunosuppressive Agents; Sterols; Vitamins; Vitamins (Fat Soluble); Immunologic Factors; Vitamin D and Analogues; Lipids; Cholestenes; Steroids; Antineoplastic Agents; Membrane Lipids; Secosteroids [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)\C=C\C=C\C(O)(CC)CC 46507218 CHEMBL1908376 DB04260 "9-(5,5-Difluoro-5-Phosphonopentyl)Guanine" BE0000250 PNP P00491 PNPH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives NC1=NC2=C(N=CN2CCCCC(F)(F)P(O)(O)=O)C(=O)N1 46506214 CHEMBL236708 DB04263 Geneticin BE0000404 ODC1 P11926 DCOR_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminocyclitol glycosides Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Anti-Infective Agents; Agents that produce neuromuscular block (indirect); Amebicides; Glycosides; Carbohydrates; Coccidiostats; Anti-Bacterial Agents; Antiprotozoals; Nephrotoxic agents; Aminoglycoside Antibacterials; Antiparasitic Agents [H][C@]1(O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O[C@]([H])([C@@H](C)O)[C@@H](O)[C@H](O)[C@H]1N 46505367 G418 CHEMBL215226 DB04270 (S)-3-(4-(2-Carbazol-9-Yl-Ethoxy)-Phenyl)-2-Ethoxy-Propionic Acid BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Carbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles [H][C@@](CC1=CC=C(OCCN2C3=C(C=CC=C3)C3=C2C=CC=C3)C=C1)(OCC)C(O)=O 46505561 CHEMBL86658 DB04271 "3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester" BE0001287 PDE4D Q08499 PDE4D_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrazole carboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CCOC(=O)C1=C(C)NN=C1C 46506928 CHEMBL506972 DB04272 Citric acid BE0004459 CS O75390 CISY_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Nutraceutical; Vet_approved Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Sequestering Agents; Urinary Acidifying Agents; Calculi Dissolution Agent; Chelating Agents; Alimentary Tract and Metabolism; Acidifying Activity; Urinary Alkalinisers; Calcium Chelating Activity; Decreased Coagulation Factor Activity; Citrates; Calcium Chelating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Acid Preparations; Disinfectants (For Agents Used on Object); Tricarboxylic Acids; Hematologic Agents; Digestives, Incl. Enzymes" OC(=O)CC(O)(CC(O)=O)C(O)=O Mitochondrial Complex II Deficiency; Congenital Lactic Acidosis; 2-Ketoglutarate Dehydrogenase Complex Deficiency; The Oncogenic Action of Succinate; Citric Acid Cycle; The Oncogenic Action of D-2-Hydroxyglutarate in Hydroxygluaricaciduria; Transfer of Acetyl Groups into Mitochondria; Glutaminolysis and Cancer; The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Pyruvate Dehydrogenase Deficiency (E2); The Oncogenic Action of 2-Hydroxyglutarate; Fumarase Deficiency; Pyruvate Dehydrogenase Deficiency (E3); Warburg Effect; The Oncogenic Action of Fumarate disease; metabolic 17610 46508995 D00037 PA449021 Citric_acid CHEMBL1261 21183 DB04272 Citric acid BE0000838 SRC P12931 SRC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Nutraceutical; Vet_approved Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Sequestering Agents; Urinary Acidifying Agents; Calculi Dissolution Agent; Chelating Agents; Alimentary Tract and Metabolism; Acidifying Activity; Urinary Alkalinisers; Calcium Chelating Activity; Decreased Coagulation Factor Activity; Citrates; Calcium Chelating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Acid Preparations; Disinfectants (For Agents Used on Object); Tricarboxylic Acids; Hematologic Agents; Digestives, Incl. Enzymes" OC(=O)CC(O)(CC(O)=O)C(O)=O Mitochondrial Complex II Deficiency; Congenital Lactic Acidosis; 2-Ketoglutarate Dehydrogenase Complex Deficiency; The Oncogenic Action of Succinate; Citric Acid Cycle; The Oncogenic Action of D-2-Hydroxyglutarate in Hydroxygluaricaciduria; Transfer of Acetyl Groups into Mitochondria; Glutaminolysis and Cancer; The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Pyruvate Dehydrogenase Deficiency (E2); The Oncogenic Action of 2-Hydroxyglutarate; Fumarase Deficiency; Pyruvate Dehydrogenase Deficiency (E3); Warburg Effect; The Oncogenic Action of Fumarate disease; metabolic 17610 46508995 D00037 PA449021 Citric_acid CHEMBL1261 21183 DB04272 Citric acid BE0004566 IL4I1 Q96RQ9 OXLA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Nutraceutical; Vet_approved Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Sequestering Agents; Urinary Acidifying Agents; Calculi Dissolution Agent; Chelating Agents; Alimentary Tract and Metabolism; Acidifying Activity; Urinary Alkalinisers; Calcium Chelating Activity; Decreased Coagulation Factor Activity; Citrates; Calcium Chelating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Acid Preparations; Disinfectants (For Agents Used on Object); Tricarboxylic Acids; Hematologic Agents; Digestives, Incl. Enzymes" OC(=O)CC(O)(CC(O)=O)C(O)=O Mitochondrial Complex II Deficiency; Congenital Lactic Acidosis; 2-Ketoglutarate Dehydrogenase Complex Deficiency; The Oncogenic Action of Succinate; Citric Acid Cycle; The Oncogenic Action of D-2-Hydroxyglutarate in Hydroxygluaricaciduria; Transfer of Acetyl Groups into Mitochondria; Glutaminolysis and Cancer; The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Pyruvate Dehydrogenase Deficiency (E2); The Oncogenic Action of 2-Hydroxyglutarate; Fumarase Deficiency; Pyruvate Dehydrogenase Deficiency (E3); Warburg Effect; The Oncogenic Action of Fumarate disease; metabolic 17610 46508995 D00037 PA449021 Citric_acid CHEMBL1261 21183 DB04272 Citric acid BE0004551 CTDSP1 Q9GZU7 CTDS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Nutraceutical; Vet_approved Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Sequestering Agents; Urinary Acidifying Agents; Calculi Dissolution Agent; Chelating Agents; Alimentary Tract and Metabolism; Acidifying Activity; Urinary Alkalinisers; Calcium Chelating Activity; Decreased Coagulation Factor Activity; Citrates; Calcium Chelating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Acid Preparations; Disinfectants (For Agents Used on Object); Tricarboxylic Acids; Hematologic Agents; Digestives, Incl. Enzymes" OC(=O)CC(O)(CC(O)=O)C(O)=O Mitochondrial Complex II Deficiency; Congenital Lactic Acidosis; 2-Ketoglutarate Dehydrogenase Complex Deficiency; The Oncogenic Action of Succinate; Citric Acid Cycle; The Oncogenic Action of D-2-Hydroxyglutarate in Hydroxygluaricaciduria; Transfer of Acetyl Groups into Mitochondria; Glutaminolysis and Cancer; The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Pyruvate Dehydrogenase Deficiency (E2); The Oncogenic Action of 2-Hydroxyglutarate; Fumarase Deficiency; Pyruvate Dehydrogenase Deficiency (E3); Warburg Effect; The Oncogenic Action of Fumarate disease; metabolic 17610 46508995 D00037 PA449021 Citric_acid CHEMBL1261 21183 DB04272 Citric acid BE0004625 HGS O14964 HGS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Nutraceutical; Vet_approved Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Sequestering Agents; Urinary Acidifying Agents; Calculi Dissolution Agent; Chelating Agents; Alimentary Tract and Metabolism; Acidifying Activity; Urinary Alkalinisers; Calcium Chelating Activity; Decreased Coagulation Factor Activity; Citrates; Calcium Chelating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Acid Preparations; Disinfectants (For Agents Used on Object); Tricarboxylic Acids; Hematologic Agents; Digestives, Incl. Enzymes" OC(=O)CC(O)(CC(O)=O)C(O)=O Mitochondrial Complex II Deficiency; Congenital Lactic Acidosis; 2-Ketoglutarate Dehydrogenase Complex Deficiency; The Oncogenic Action of Succinate; Citric Acid Cycle; The Oncogenic Action of D-2-Hydroxyglutarate in Hydroxygluaricaciduria; Transfer of Acetyl Groups into Mitochondria; Glutaminolysis and Cancer; The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Pyruvate Dehydrogenase Deficiency (E2); The Oncogenic Action of 2-Hydroxyglutarate; Fumarase Deficiency; Pyruvate Dehydrogenase Deficiency (E3); Warburg Effect; The Oncogenic Action of Fumarate disease; metabolic 17610 46508995 D00037 PA449021 Citric_acid CHEMBL1261 21183 DB04272 Citric acid BE0000780 MDH2 P40926 MDHM_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Nutraceutical; Vet_approved Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Sequestering Agents; Urinary Acidifying Agents; Calculi Dissolution Agent; Chelating Agents; Alimentary Tract and Metabolism; Acidifying Activity; Urinary Alkalinisers; Calcium Chelating Activity; Decreased Coagulation Factor Activity; Citrates; Calcium Chelating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Acid Preparations; Disinfectants (For Agents Used on Object); Tricarboxylic Acids; Hematologic Agents; Digestives, Incl. Enzymes" OC(=O)CC(O)(CC(O)=O)C(O)=O Mitochondrial Complex II Deficiency; Congenital Lactic Acidosis; 2-Ketoglutarate Dehydrogenase Complex Deficiency; The Oncogenic Action of Succinate; Citric Acid Cycle; The Oncogenic Action of D-2-Hydroxyglutarate in Hydroxygluaricaciduria; Transfer of Acetyl Groups into Mitochondria; Glutaminolysis and Cancer; The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Pyruvate Dehydrogenase Deficiency (E2); The Oncogenic Action of 2-Hydroxyglutarate; Fumarase Deficiency; Pyruvate Dehydrogenase Deficiency (E3); Warburg Effect; The Oncogenic Action of Fumarate disease; metabolic 17610 46508995 D00037 PA449021 Citric_acid CHEMBL1261 21183 DB04272 Citric acid BE0003257 CPB1 P15086 CBPB1_HUMAN Approved; Nutraceutical; Vet_approved Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Sequestering Agents; Urinary Acidifying Agents; Calculi Dissolution Agent; Chelating Agents; Alimentary Tract and Metabolism; Acidifying Activity; Urinary Alkalinisers; Calcium Chelating Activity; Decreased Coagulation Factor Activity; Citrates; Calcium Chelating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Acid Preparations; Disinfectants (For Agents Used on Object); Tricarboxylic Acids; Hematologic Agents; Digestives, Incl. Enzymes" OC(=O)CC(O)(CC(O)=O)C(O)=O Mitochondrial Complex II Deficiency; Congenital Lactic Acidosis; 2-Ketoglutarate Dehydrogenase Complex Deficiency; The Oncogenic Action of Succinate; Citric Acid Cycle; The Oncogenic Action of D-2-Hydroxyglutarate in Hydroxygluaricaciduria; Transfer of Acetyl Groups into Mitochondria; Glutaminolysis and Cancer; The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Pyruvate Dehydrogenase Deficiency (E2); The Oncogenic Action of 2-Hydroxyglutarate; Fumarase Deficiency; Pyruvate Dehydrogenase Deficiency (E3); Warburg Effect; The Oncogenic Action of Fumarate disease; metabolic 17610 46508995 D00037 PA449021 Citric_acid CHEMBL1261 21183 DB04272 Citric acid BE0003262 PLEKHA1 Q9HB21 PKHA1_HUMAN Approved; Nutraceutical; Vet_approved Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Sequestering Agents; Urinary Acidifying Agents; Calculi Dissolution Agent; Chelating Agents; Alimentary Tract and Metabolism; Acidifying Activity; Urinary Alkalinisers; Calcium Chelating Activity; Decreased Coagulation Factor Activity; Citrates; Calcium Chelating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Acid Preparations; Disinfectants (For Agents Used on Object); Tricarboxylic Acids; Hematologic Agents; Digestives, Incl. Enzymes" OC(=O)CC(O)(CC(O)=O)C(O)=O Mitochondrial Complex II Deficiency; Congenital Lactic Acidosis; 2-Ketoglutarate Dehydrogenase Complex Deficiency; The Oncogenic Action of Succinate; Citric Acid Cycle; The Oncogenic Action of D-2-Hydroxyglutarate in Hydroxygluaricaciduria; Transfer of Acetyl Groups into Mitochondria; Glutaminolysis and Cancer; The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Pyruvate Dehydrogenase Deficiency (E2); The Oncogenic Action of 2-Hydroxyglutarate; Fumarase Deficiency; Pyruvate Dehydrogenase Deficiency (E3); Warburg Effect; The Oncogenic Action of Fumarate disease; metabolic 17610 46508995 D00037 PA449021 Citric_acid CHEMBL1261 21183 DB04272 Citric acid BE0004443 ITPA Q9BY32 ITPA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Nutraceutical; Vet_approved Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Sequestering Agents; Urinary Acidifying Agents; Calculi Dissolution Agent; Chelating Agents; Alimentary Tract and Metabolism; Acidifying Activity; Urinary Alkalinisers; Calcium Chelating Activity; Decreased Coagulation Factor Activity; Citrates; Calcium Chelating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Acid Preparations; Disinfectants (For Agents Used on Object); Tricarboxylic Acids; Hematologic Agents; Digestives, Incl. Enzymes" OC(=O)CC(O)(CC(O)=O)C(O)=O Mitochondrial Complex II Deficiency; Congenital Lactic Acidosis; 2-Ketoglutarate Dehydrogenase Complex Deficiency; The Oncogenic Action of Succinate; Citric Acid Cycle; The Oncogenic Action of D-2-Hydroxyglutarate in Hydroxygluaricaciduria; Transfer of Acetyl Groups into Mitochondria; Glutaminolysis and Cancer; The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Pyruvate Dehydrogenase Deficiency (E2); The Oncogenic Action of 2-Hydroxyglutarate; Fumarase Deficiency; Pyruvate Dehydrogenase Deficiency (E3); Warburg Effect; The Oncogenic Action of Fumarate disease; metabolic 17610 46508995 D00037 PA449021 Citric_acid CHEMBL1261 21183 DB04276 4-[[(2S)-2-[[(2S)-3-Carboxy-2-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]butyl-(diaminomethylidene)azanium BE0003346 CAPN1 P07384 CAN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Leucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CC(C)C[C@H](NC(=O)[C@@H](O)CC(O)=O)C(=O)NCCCC[NH+]=C(N)N 46505123 DB04282 2-deoxy-2-fluoro-_-D-glucose BE0004338 LCT P09848 LPH_HUMAN Experimental Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])F 46505526 CHEMBL1086863 DB04285 "{4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid" BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Amphetamines and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines [H]\C(C[C@](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)(N1N=NC2=CC=CC=C12)C1=NC2=CC=CC=C2S1)=C(\[H])C1=CC=CC=C1 46508576 DB04288 2-[Trans-(4-Aminocyclohexyl)Amino]-6-(Benzyl-Amino)-9-Cyclopentylpurine BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-alkylaminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives [H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C3CCCC3)C2=N1 46506715 CHEMBL150261 DB04297 Trichostatin A BE0003525 HDAC7 Q8WUI4 HDAC7_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Amines; Enzyme Inhibitors; Antifungal Agents; Histone Deacetylase Inhibitors; Hydroxy Acids; Protein Synthesis Inhibitors; Hydroxylamines; Benzene Derivatives; Pyrans; Antineoplastic Agents" C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C 46506659 Trichostatin_A CHEMBL99 DB04297 Trichostatin A BE0001608 HDAC8 Q9BY41 HDAC8_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Amines; Enzyme Inhibitors; Antifungal Agents; Histone Deacetylase Inhibitors; Hydroxy Acids; Protein Synthesis Inhibitors; Hydroxylamines; Benzene Derivatives; Pyrans; Antineoplastic Agents" C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C 46506659 Trichostatin_A CHEMBL99 DB04297 Trichostatin A BE0003460 CASP8 Q14790 CASP8_HUMAN activator 15809727 "Komata T, Kanzawa T, Nashimoto T, Aoki H, Endo S, Kon T, Takahashi H, Kondo S, Tanaka R: Histone deacetylase inhibitors, N-butyric acid and trichostatin A, induce caspase-8- but not caspase-9-dependent apoptosis in human malignant glioma cells. Int J Oncol. 2005 May;26(5):1345-52. doi: 10.3892/ijo.26.5.1345." Experimental Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Amines; Enzyme Inhibitors; Antifungal Agents; Histone Deacetylase Inhibitors; Hydroxy Acids; Protein Synthesis Inhibitors; Hydroxylamines; Benzene Derivatives; Pyrans; Antineoplastic Agents" C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C 46506659 Trichostatin_A CHEMBL99 DB04310 2-[(Formyl-Hydroxy-Amino)-Methyl]-Heptanoic Acid [1-(2-Hydroxymethyl-Pyrrolidine-1-Carbonyl)-2-Methyl-Propyl]-Amide BE0002201 PDF Q9HBH1 DEFM_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acyl-alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CCCCC)(CC(=O)NO)C(=O)N[C@@]([H])(C(C)C)C(=O)N1CCC[C@@]1([H])CO 46505294 CHEMBL308333 DB04312 "2,3-Difluorobenzyl Alcohol" BE0000465 ADH1C P00326 ADH1G_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzyl alcohols Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzyl alcohols OCC1=CC=CC(F)=C1F 46507720 CHEMBL1232182 DB04315 Guanosine-5'-Diphosphate BE0001076 HRAS P01112 RASH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0001190 RHOA P61586 RHOA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004558 RAB11A P62491 RB11A_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004478 RAB8B Q92930 RAB8B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004242 ARF6 P62330 ARF6_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0002231 ADSSL1 Q8N142 PURA1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004542 TUFM P49411 EFTU_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004491 GNAI1 P63096 GNAI1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0001710 RAB9A P51151 RAB9A_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004594 RHEB Q15382 RHEB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004618 CDC42 P60953 CDC42_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004281 EEF2 P13639 EF2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0001843 RAP2A P10114 RAP2A_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004053 EFTUD1 Q7Z2Z2 ETUD1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004535 ARL1 P40616 ARL1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004485 RAB7A P51149 RAB7A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004448 GSPT1 P15170 ERF3A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004533 RAB5A P20339 RAB5A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004528 EEF1A1 P68104 EF1A1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0003277 ARF4 P18085 ARF4_HUMAN Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0003278 GMDS O60547 GMDS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004562 RALA P11233 RALA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004627 ARL5B Q96KC2 ARL5B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004638 ARL3 P36405 ARL3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0001109 RAC1 P63000 RAC1_HUMAN Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0004633 SAR1B Q9Y6B6 SAR1B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04315 Guanosine-5'-Diphosphate BE0003284 ARL5A Q9Y689 ARL5A_HUMAN Experimental Purine ribonucleoside diphosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 46508144 CHEMBL384759 DB04322 LY249543 BE0000617 MTHFD1 P11586 C1TC_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H]N([H])C1=NC(=O)C2=C(N([H])C[C@@H](CCC3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)C2)N1[H] 46505154 DB04324 Ovalicin BE0004117 METAP1 P53582 MAP11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Cyclitols and derivatives Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Terpenes [H][C@]1(CC=C(C)C)O[C@]1(C)[C@@]1(O)[C@]([H])(OC)C(=O)CC[C@@]1(C)O 46507847 DB04324 Ovalicin BE0001534 METAP2 P50579 MAP2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Cyclitols and derivatives Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Terpenes [H][C@]1(CC=C(C)C)O[C@]1(C)[C@@]1(O)[C@]([H])(OC)C(=O)CC[C@@]1(C)O 46507847 DB04326 Dihydroxyacetone phosphate BE0003844 TPI1 P60174 TPIS_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Monosaccharide phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Sugar Phosphates; Carbohydrates OCC(=O)COP(O)(O)=O "De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/20:4(5Z,8Z,11Z,14Z)); Glycogenosis, Type IB; Fructose and Mannose Degradation; De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:1(9Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:0/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(18:0/20:1(11Z)/20:1(11Z)); Glycerol Phosphate Shuttle; De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)); Glycolysis; De Novo Triacylglycerol Biosynthesis TG(16:0/16:0/16:0); De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)); Glucose-6-phosphate Dehydrogenase Deficiency; De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/20:0/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/18:1(9Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:1(9Z)/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(18:0/18:0/18:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:0/20:0); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/18:0); Glycogenosis, Type VII. Tarui Disease; De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:1(11Z)/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/20:0); Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Glycerol Kinase Deficiency" disease; metabolic 46507359 Dihydroxyacetone_phosphate CHEMBL1161998 DB04326 Dihydroxyacetone phosphate BE0004565 ALDOB P05062 ALDOB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Monosaccharide phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Sugar Phosphates; Carbohydrates OCC(=O)COP(O)(O)=O "De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/20:4(5Z,8Z,11Z,14Z)); Glycogenosis, Type IB; Fructose and Mannose Degradation; De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:1(9Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:0/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(18:0/20:1(11Z)/20:1(11Z)); Glycerol Phosphate Shuttle; De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)); Glycolysis; De Novo Triacylglycerol Biosynthesis TG(16:0/16:0/16:0); De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)); Glucose-6-phosphate Dehydrogenase Deficiency; De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/20:0/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/18:1(9Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:1(9Z)/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(18:0/18:0/18:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:0/20:0); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/18:0); Glycogenosis, Type VII. Tarui Disease; De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:1(11Z)/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/20:0); Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Glycerol Kinase Deficiency" disease; metabolic 46507359 Dihydroxyacetone_phosphate CHEMBL1161998 DB04327 Phosphatidylethanolamine BE0005530 PTEN P60484 PTEN_HUMAN substrate 15313215 "Meuillet EJ, Mahadevan D, Berggren M, Coon A, Powis G: Thioredoxin-1 binds to the C2 domain of PTEN inhibiting PTEN's lipid phosphatase activity and membrane binding: a mechanism for the functional loss of PTEN's tumor suppressor activity. Arch Biochem Biophys. 2004 Sep 15;429(2):123-33." Experimental Phosphatidylethanolamines Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoethanolamines Phosphatidic Acids; Phospholipids; Lipids; Glycerophospholipids; Glycerophosphates; Membrane Lipids CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC 46506543 Phosphatidylethanolamine DB04331 Monastrol BE0001852 KIF11 P52732 KIF11_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydropyrimidine carboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Mitosis Modulators; Antimitotic Agents; Enzyme Inhibitors; Sulfur Compounds; Antineoplastic Agents CCOC(=O)C1=C(C)NC(=S)N[C@H]1C1=CC=CC(O)=C1 46508959 Monastrol CHEMBL254432 DB04335 Inosine BE0000250 PNP P00491 PNPH_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" "Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Ophthalmologicals; Purines; Nucleosides; Gynecological Antiinfectives and Antiseptics; Dermatologicals; Genito Urinary System and Sex Hormones; Nucleic Acids, Nucleotides, and Nucleosides; Sensory Organs" OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1NC=NC2=O Gout or Kelley-Seegmiller Syndrome; Purine Metabolism; Lesch-Nyhan Syndrome (LNS); Myoadenylate Deaminase Deficiency; Molybdenum Cofactor Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Thioguanine Action Pathway; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Purine Nucleoside Phosphorylase Deficiency; Adenylosuccinate Lyase Deficiency; Xanthinuria Type II disease; metabolic; drug_action 175426857 D00054 PA130230922 Inosine CHEMBL1556 1483575 DB04337 Isocyanomethane BE0004467 MB P02144 MYG_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Organic isocyanides Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Organic isocyanides C[N+]#[C-] 46505791 Methyl_isocyanide DB04338 SB220025 BE0000923 MAPK1 P28482 MK01_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles "Calcium-Calmodulin-Dependent Protein Kinases, antagonists & inhibitors" NC1=NC=CC(=N1)C1=C(N=CN1C1CCNCC1)C1=CC=C(F)C=C1 46506944 CHEMBL274064 DB04338 SB220025 BE0001019 MAPK14 Q16539 MK14_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles "Calcium-Calmodulin-Dependent Protein Kinases, antagonists & inhibitors" NC1=NC=CC(=N1)C1=C(N=CN1C1CCNCC1)C1=CC=C(F)C=C1 46506944 CHEMBL274064 DB04339 Carbocisteine BE0004604 ST3GAL5 Q9UNP4 SIAT9_HUMAN inducer 20956181; 19281081 "Balsamo R, Lanata L, Egan CG: Mucoactive drugs. Eur Respir Rev. 2010 Jun;19(116):127-33. doi: 10.1183/09059180.00003510.@@Hooper C, Calvert J: The role for S-carboxymethylcysteine (carbocisteine) in the management of chronic obstructive pulmonary disease. Int J Chron Obstruct Pulmon Dis. 2008;3(4):659-69." Approved; Investigational L-cysteine-S-conjugates "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Expectorants; Respiratory System Agents; Amino Acids; Anti-Infective Agents; Amino Acids, Dicarboxylic; Sulfhydryl Compounds; Amino Acids, Sulfur; Cough and Cold Preparations; Sulfur Compounds; Cysteine; Anti-Infective Agents, Local; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](CSCC(O)=O)C(O)=O 46507988 D00175 Carbocisteine CHEMBL396416 2023 DB04348 Taurocholic acid BE0001777 NR1H4 Q96RI1 NR1H4_HUMAN 19445040 "Dullens SP, Mensink RP, Mariman EC, Plat J: Differentiated CaCo-2 cells as an in-vitro model to evaluate de-novo apolipoprotein A-I production in the small intestine. Eur J Gastroenterol Hepatol. 2009 Jun;21(6):642-9." Approved; Experimental "Trihydroxy bile acids, alcohols and derivatives" "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" "OATP1B1/SLCO1B1 Inhibitors; Alkanesulfonic Acids; BSEP/ABCB11 inducers; Detergents; OAT3/SLC22A8 Substrates; Acids; Bile Acids and Salts; OATP1B1/SLCO1B1 Substrates; Sulfonic Acids; OAT1/SLC22A6 inhibitors; Gastrointestinal Agents; Hydrocarbons, Acyclic; OATP1B1/SLCO1B1 Inducers; BCRP/ABCG2 Inhibitors; Cholic Acids; Cholagogues and Choleretics; Alkanes; P-glycoprotein substrates; Steroids; Household Products; P-glycoprotein inhibitors; Fused-Ring Compounds; OATP2B1/SLCO2B1 substrates; OAT1/SLC22A6 Substrates; Cholanes; Sulfur Acids; BSEP/ABCB11 Substrates; Compounds used in a research, industrial, or household setting; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; Surface-Active Agents; Sulfur Compounds; Acids, Noncarboxylic" [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX) disease; metabolic 3671 46508273 Taurocholic_acid CHEMBL224867 DB04351 Aconitate Ion BE0004504 ACO2 Q99798 ACON_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives [O-]C(=O)C\C(=C\C([O-])=O)C([O-])=O 46508929 DB04356 9-Deazaguanine BE0000077 HPRT1 P00492 HPRT_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolopyrimidines Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines "Purines; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Purinones; Cytochrome P-450 CYP1A2 Substrates; Xanthine derivatives" NC1=NC2=C(NC=C2)C(=O)N1 46508363 CHEMBL367746 DB04365 Arecoline BE0000045 CHRM3 P20309 ACM3_HUMAN 9224827 "Jakubik J, Bacakova L, El-Fakahany EE, Tucek S: Positive cooperativity of acetylcholine and other agonists with allosteric ligands on muscarinic acetylcholine receptors. Mol Pharmacol. 1997 Jul;52(1):172-9." Experimental Alkaloids and derivatives Organic compounds; Alkaloids and derivatives Cholinergic Agonists; Neurotransmitter Agents; Alkaloids; Nicotinic Acids; Cholinergic Agents; Pyridines COC(=O)C1=CCCN(C)C1 46507231 Arecoline CHEMBL7303 DB04367 Debromohymenialdisine BE0001824 CLK1 P49759 CLK1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Pyrroloazepines Organic compounds; Organoheterocyclic compounds; Pyrroloazepines "Protein Kinase C, antagonists & inhibitors" NC1=NC(=O)\C(N1)=C1/CCNC(=O)C2=C1C=CN2 46505283 CHEMBL255465 DB04368 Bb-3497 BE0002201 PDF Q9HBH1 DEFM_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Hybrid peptides Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides Amines; Hydroxy Acids; Hydroxylamines [H][C@@](CCCC)(CN(O)C=O)C(=O)N[C@]([H])(C(=O)N(C)C)C(C)(C)C 46504617 DNC000283 CHEMBL431210 DB04371 AL6528 BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides COC1=CC(=CC=C1)N1C=CC2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O 46507222 DB04372 L-Dilinoleoyllecithin BE0000935 PCTP Q9UKL6 PPCT_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Phosphatidylcholines Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines Phosphatidic Acids; Phospholipids; Lipids; Glycerophospholipids; Glycerophosphates; Membrane Lipids CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC 46506549 DB04377 Meglutol BE0000574 HMGCR P04035 HMDH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Hydroxy fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Dicarboxylic Acids; Lipid Modifying Agents, Plain; Enzyme Inhibitors; Antimetabolites; Anticholesteremic Agents; Acids, Acyclic; Lipid Modifying Agents; Hypolipidemic Agents; Lipid Regulating Agents; Glutarates" CC(O)(CC(O)=O)CC(O)=O 46508063 D04897 Meglutol CHEMBL50444 DB04379 N-Methyl-N-(Methylbenzyl)Formamide BE0000270 REN P00797 RENI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 Substrates [H][C@@](C)(N(C)C=O)C1=CC=CC=C1 46505666 DB04381 Crotonaldehyde BE0000133 ALDH2 P05091 ALDH2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Enals Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds [H]C(=O)\C=C\C 46506682 Crotonaldehyde CHEMBL1086445 DB04387 1-Hydroxy-2-Amino-3-Cyclohexylpropane BE0000270 REN P00797 RENI_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,2-aminoalcohols" Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines N[C@H](CO)CC1CCCCC1 46506482 CHEMBL1231778 DB04389 Ado-P-Ch2-P-Ps-Ado BE0001687 FHIT P49789 FHIT_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental [H][C@]1(COP(O)(=O)CP(O)(=O)O[P@](O)(=S)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O 46505234 DB04392 "Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone]" BE0001184 NQO1 P15559 NQO1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Chromones Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans [H][C@@]1(C[C@@]2([H])C(=O)OC3=C(C=CC=C3)C2=O)C(=O)OC2=CC=CC=C2C1=O 46508476 DB04394 3-Nitro-4-(2-Oxo-Pyrrolidin-1-Yl)-Benzenesulfonamide BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrrolidines Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines NS(=O)(=O)C1=CC=C(N2CCCC2=O)C(=C1)[N+]([O-])=O 46505576 CHEMBL121291 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0001065 GSK3B P49841 GSK3B_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0001221 DTYMK P23919 KTHY_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0000858 IGF1R P08069 IGF1R_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0001108 HK1 P19367 HXK1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0000842 LCK P06239 LCK_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0001209 CSNK2A1 P68400 CSK21_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0001097 MAPK10 P53779 MK10_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0004622 KIF2C Q99661 KIF2C_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0001627 ITPKA P23677 IP3KA_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0002425 TOP2B Q02880 TOP2B_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0000185 GSS P48637 GSHB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0003931 PFKFB4 Q16877 F264_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0001776 DAPK1 P53355 DAPK1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0004549 EPHB2 P29323 EPHB2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0001195 CFTR P13569 CFTR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0004572 VCP P55072 TERA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0004624 TRPM7 Q96QT4 TRPM7_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0004554 CCT3 P49368 TCPG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0004323 SRPK2 P78362 SRPK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0002790 MAPK12 P53778 MK12_HUMAN Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0003295 GALK1 P51570 GALK1_HUMAN Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04395 Phosphoaminophosphonic Acid-Adenylate Ester BE0002412 RAD51 Q06609 RAD51_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O 46507028 DB04397 Alpha-D-Glucose-1-Phosphate-6-Vanadate BE0004461 PGM1 P36871 PGM1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Monosaccharide phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Vanadates O[C@@H]1[C@@H](O)[C@H](CO[V](O)(=O)=O)O[C@H](OP(O)(O)=O)[C@H]1O 46507742 DB04400 "L-erythro-7,8-dihydrobiopterin" BE0000005 NOS2 P35228 NOS2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biopterins and derivatives Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives "Pteridines; Heterocyclic Compounds, Fused-Ring; Coenzymes; Enzymes and Coenzymes; Pterins" C[C@H](O)[C@H](O)C1=NC2=C(NC1)NC(N)=NC2=O 46508233 DB04407 4-[4-(4-Methyl-2-Methylamino-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,4,5-trisubstituted thiazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles CNC1=NC(C)=C(S1)C1=CC=NC(NC2=CC=C(O)C=C2)=N1 46505843 CHEMBL47590 DB04409 Naphthalene Trisulfonate BE0000689 FGF1 P05230 FGF1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-naphthalene sulfonates Organic compounds; Benzenoids; Naphthalenes; Naphthalene sulfonic acids and derivatives [O-]S(=O)(=O)C1=CC2=C(C=C1)C(=CC(=C2)S([O-])(=O)=O)S([O-])(=O)=O 46506834 DB04418 Adenylosuccinic acid BE0002231 ADSSL1 Q8N142 PURA1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Amino Acids; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Purines; Purine Nucleotides; Ribonucleotides; Amino Acids, Acidic; Nucleic Acids, Nucleotides, and Nucleosides; Excitatory Amino Acids; Nucleotides; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic" O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C(N[C@@H](CC(O)=O)C(O)=O)N=CN=C12 46509168 DB04429 4'-Hydroxyflavanone BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Experimental Flavanones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans "Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans; Flavonoids" OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=CC=CC=C2O1 46508379 DB04434 Naphthyridine Inhibitor BE0003782 TGFBR1 P36897 TGFR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthyridines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Naphthyridines CC1=CC=CC(=N1)C1=C(CNN1)C1=CC=C2N=CC=CC2=N1 46505221 DB04436 3-Fluoro-L-tyrosine BE0004453 SOD2 P04179 SODM_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tyrosine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CC1=CC(F)=C(O)C=C1)C(O)=O 46507213 CHEMBL1236909 DB04440 Nebularine BE0002214 ADA P00813 ADA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" "Anti-Infective Agents; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Nucleic Acids, Nucleotides, and Nucleosides; Antineoplastic Agents" [H][C@]1(CO)O[C@@]([H])(N2C=NC3=CN=CN=C23)[C@]([H])(O)[C@]1([H])O 46507074 CHEMBL1399702 DB04444 Tetrafluoroaluminate Ion BE0003893 MYH14 Q7Z406 MYH14_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Post-transition metal fluorides Inorganic compounds; Mixed metal/non-metal compounds; Post-transition metal salts; Post-transition metal fluorides F[Al](F)(F)[F-] 46509122 DB04444 Tetrafluoroaluminate Ion BE0004491 GNAI1 P63096 GNAI1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Post-transition metal fluorides Inorganic compounds; Mixed metal/non-metal compounds; Post-transition metal salts; Post-transition metal fluorides F[Al](F)(F)[F-] 46509122 DB04444 Tetrafluoroaluminate Ion BE0003888 ATP2A1 O14983 AT2A1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Post-transition metal fluorides Inorganic compounds; Mixed metal/non-metal compounds; Post-transition metal salts; Post-transition metal fluorides F[Al](F)(F)[F-] 46509122 DB04447 "1,4-Dithiothreitol" BE0003844 TPI1 P60174 TPIS_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,2-diols" Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols O[C@@H](CS)[C@@H](O)CS 46505212 CHEMBL406270 DB04447 "1,4-Dithiothreitol" BE0000574 HMGCR P04035 HMDH_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental "1,2-diols" Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols O[C@@H](CS)[C@@H](O)CS 46505212 CHEMBL406270 DB04447 "1,4-Dithiothreitol" BE0004076 CAMK2A Q9UQM7 KCC2A_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,2-diols" Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols O[C@@H](CS)[C@@H](O)CS 46505212 CHEMBL406270 DB04447 "1,4-Dithiothreitol" BE0000554 ALDH1A1 P00352 AL1A1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,2-diols" Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols O[C@@H](CS)[C@@H](O)CS 46505212 CHEMBL406270 DB04447 "1,4-Dithiothreitol" BE0004624 TRPM7 Q96QT4 TRPM7_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,2-diols" Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols O[C@@H](CS)[C@@H](O)CS 46505212 CHEMBL406270 DB04447 "1,4-Dithiothreitol" BE0000170 MSRA Q9UJ68 MSRA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,2-diols" Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols O[C@@H](CS)[C@@H](O)CS 46505212 CHEMBL406270 DB04447 "1,4-Dithiothreitol" BE0003316 AXIN1 O15169 AXIN1_HUMAN Experimental "1,2-diols" Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols O[C@@H](CS)[C@@H](O)CS 46505212 CHEMBL406270 DB04448 "2,4-Difluorobenzyl Alcohol 2,4-Difluoro-1-(Hydroxymethyl)Benzene" BE0000465 ADH1C P00326 ADH1G_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzyl alcohols Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzyl alcohols OCC1=CC=C(F)C=C1F 46505681 DB04451 4-Methylpiperazin-1-Yl Carbonyl Group BE0001909 CTSV O60911 CATL2_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Piperazine carboxylic acids Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines CN1CCN(CC1)C(O)=O 46508298 DB04454 Alpha-Aminobutyric Acid BE0000953 EGF P01133 EGF_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental D-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Acids, Acyclic; Amino Acids, Peptides, and Proteins; Butyrates" CC[C@@H](N)C(O)=O 46505337 CHEMBL553426 DB04462 Tetrabromo-2-Benzotriazole BE0001209 CSNK2A1 P68400 CSK21_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzotriazoles Organic compounds; Organoheterocyclic compounds; Benzotriazoles [H]N1N=C2C(=N1)C(Br)=C(Br)C(Br)=C2Br 46505214 CHEMBL177820 DB04464 N-Formylmethionine BE0004073 RABGGTB P53611 PGTB2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Methionine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins" [H]C(=O)N[C@@H](CCSC)C(O)=O 46505840 N-Formylmethionine DB04464 N-Formylmethionine BE0004082 HLA-B P01889 1B27_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Methionine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins" [H]C(=O)N[C@@H](CCSC)C(O)=O 46505840 N-Formylmethionine DB04464 N-Formylmethionine BE0003988 COX5A P20674 COX5A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Methionine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins" [H]C(=O)N[C@@H](CCSC)C(O)=O 46505840 N-Formylmethionine DB04464 N-Formylmethionine BE0003995 COX6B1 P14854 CX6B1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Methionine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins" [H]C(=O)N[C@@H](CCSC)C(O)=O 46505840 N-Formylmethionine DB04464 N-Formylmethionine BE0001177 S100B P04271 S100B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Methionine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins" [H]C(=O)N[C@@H](CCSC)C(O)=O 46505840 N-Formylmethionine DB04464 N-Formylmethionine BE0002769 CLPP Q16740 CLPP_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Methionine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins" [H]C(=O)N[C@@H](CCSC)C(O)=O 46505840 N-Formylmethionine DB04465 Lactose BE0001353 LGALS3 P17931 LEG3_HUMAN 17385862 "Seidel RD 3rd, Zhuang T, Prestegard JH: Bound-state residual dipolar couplings for rapidly exchanging ligands of His-tagged proteins. J Am Chem Soc. 2007 Apr 18;129(15):4834-9. Epub 2007 Mar 27." Approved; Experimental; Investigational O-glycosyl compounds Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Flavoring Agents; Physiological Phenomena; Diet, Food, and Nutrition; Oligosaccharides; Carbohydrates; Polysaccharides; Food; Disaccharides; Food Additives; Food Ingredients; Sweetening Agents; Compounds used in a research, industrial, or household setting" OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O Lactose Degradation; Lactose Intolerance; Lactose Synthesis; Galactosemia; Congenital Disorder of Glycosylation CDG-IId; GLUT-1 Deficiency Syndrome; Galactose Metabolism disease; metabolic 6757 46505218 D00046 PA450161 Lactose 6211 DB04465 Lactose BE0009999 GLB1 P16278 BGAL_HUMAN Approved; Experimental; Investigational O-glycosyl compounds Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Flavoring Agents; Physiological Phenomena; Diet, Food, and Nutrition; Oligosaccharides; Carbohydrates; Polysaccharides; Food; Disaccharides; Food Additives; Food Ingredients; Sweetening Agents; Compounds used in a research, industrial, or household setting" OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O Lactose Degradation; Lactose Intolerance; Lactose Synthesis; Galactosemia; Congenital Disorder of Glycosylation CDG-IId; GLUT-1 Deficiency Syndrome; Galactose Metabolism disease; metabolic 6757 46505218 D00046 PA450161 Lactose 6211 DB04468 Afimoxifene BE0003722 ESRRA P11474 ERR1_HUMAN inhibitor 14751226 "Huppunen J, Aarnisalo P: Dimerization modulates the activity of the orphan nuclear receptor ERRgamma. Biochem Biophys Res Commun. 2004 Feb 20;314(4):964-70." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Fused-Ring Compounds; Selective Estrogen Receptor Modulators; Androstenols; Stilbenes; Estrogen Antagonists; Receptors, Estrogen, agonists; Benzylidene Compounds; Androstanes; Hormone Antagonists; Benzene Derivatives; Steroids; Androstenes; Hormones, Hormone Substitutes, and Hormone Antagonists; Antineoplastic Agents; Estrogen Receptor Modulators" CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 175426858 D06551 Afimoxifene CHEMBL489 DB04468 Afimoxifene BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Fused-Ring Compounds; Selective Estrogen Receptor Modulators; Androstenols; Stilbenes; Estrogen Antagonists; Receptors, Estrogen, agonists; Benzylidene Compounds; Androstanes; Hormone Antagonists; Benzene Derivatives; Steroids; Androstenes; Hormones, Hormone Substitutes, and Hormone Antagonists; Antineoplastic Agents; Estrogen Receptor Modulators" CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 175426858 D06551 Afimoxifene CHEMBL489 DB04468 Afimoxifene BE0000123 ESR1 P03372 ESR1_HUMAN 15846122 "Reed CA, Berndtson AK, Nephew KP: Dose-dependent effects of 4-hydroxytamoxifen, the active metabolite of tamoxifen, on estrogen receptor-alpha expression in the rat uterus. Anticancer Drugs. 2005 Jun;16(5):559-67." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Fused-Ring Compounds; Selective Estrogen Receptor Modulators; Androstenols; Stilbenes; Estrogen Antagonists; Receptors, Estrogen, agonists; Benzylidene Compounds; Androstanes; Hormone Antagonists; Benzene Derivatives; Steroids; Androstenes; Hormones, Hormone Substitutes, and Hormone Antagonists; Antineoplastic Agents; Estrogen Receptor Modulators" CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 175426858 D06551 Afimoxifene CHEMBL489 DB04468 Afimoxifene BE0000792 ESR2 Q92731 ESR2_HUMAN 15846122 "Reed CA, Berndtson AK, Nephew KP: Dose-dependent effects of 4-hydroxytamoxifen, the active metabolite of tamoxifen, on estrogen receptor-alpha expression in the rat uterus. Anticancer Drugs. 2005 Jun;16(5):559-67." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Fused-Ring Compounds; Selective Estrogen Receptor Modulators; Androstenols; Stilbenes; Estrogen Antagonists; Receptors, Estrogen, agonists; Benzylidene Compounds; Androstanes; Hormone Antagonists; Benzene Derivatives; Steroids; Androstenes; Hormones, Hormone Substitutes, and Hormone Antagonists; Antineoplastic Agents; Estrogen Receptor Modulators" CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 175426858 D06551 Afimoxifene CHEMBL489 DB04468 Afimoxifene BE0002088 ESRRG P62508 ERR3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Fused-Ring Compounds; Selective Estrogen Receptor Modulators; Androstenols; Stilbenes; Estrogen Antagonists; Receptors, Estrogen, agonists; Benzylidene Compounds; Androstanes; Hormone Antagonists; Benzene Derivatives; Steroids; Androstenes; Hormones, Hormone Substitutes, and Hormone Antagonists; Antineoplastic Agents; Estrogen Receptor Modulators" CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 175426858 D06551 Afimoxifene CHEMBL489 DB04469 "1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester" BE0001287 PDE4D Q08499 PDE4D_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CCOC(=O)C1=C(C)N(N=C1C)C1=CC=C(OC)C=C1 46507765 DB04471 "2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol" BE0000123 ESR1 P03372 ESR1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental 1-phenyltetrahydroisoquinolines Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 1-phenyltetrahydroisoquinolines OC1=CC=C2[C@H](N(CCC2=C1)C1=CC=CC=C1)C1=CC=C(OCCN2CCCCC2)C=C1 46505282 DB04480 "3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo[1,2-B]Pyrazole" BE0003782 TGFBR1 P36897 TGFR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CC1=NC(=CC=C1)C1=NN2CCCC2=C1C1=CC=C(F)C=C1 46504872 CHEMBL121790 DB04485 Thymidine BE0004639 TK2 O00142 KITM_HUMAN substrate 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational Pyrimidine 2'-deoxyribonucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides" "Nucleosides; Deoxyribonucleosides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Pyrimidine Nucleosides" CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O UMP Synthase Deficiency (Orotic Aciduria); MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Dihydropyrimidinase Deficiency; beta-Ureidopropionase Deficiency; Pyrimidine Metabolism disease; metabolic 46507598 Thymidine CHEMBL52609 1372538 DB04485 Thymidine BE0001260 TK1 P04183 KITH_HUMAN substrate 7572355 "Munch-Petersen B, Cloos L, Jensen HK, Tyrsted G: Human thymidine kinase 1. Regulation in normal and malignant cells. Adv Enzyme Regul. 1995;35:69-89. doi: 10.1016/0065-2571(94)00014-t." Experimental; Investigational Pyrimidine 2'-deoxyribonucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides" "Nucleosides; Deoxyribonucleosides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Pyrimidine Nucleosides" CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O UMP Synthase Deficiency (Orotic Aciduria); MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Dihydropyrimidinase Deficiency; beta-Ureidopropionase Deficiency; Pyrimidine Metabolism disease; metabolic 46507598 Thymidine CHEMBL52609 1372538 DB04489 Guanidinoethylmercaptosuccinic acid BE0004568 CPD O75976 CBPD_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thia fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Acids, Acyclic; Dicarboxylic Acids" [H]N([H])C(=NCCS[C@@H](CC(O)=O)C(O)=O)N([H])[H] 46506328 DB04493 Fructose-6-phosphate BE0003931 PFKFB4 Q16877 F264_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hexose phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Sugar Phosphates; Hexosephosphates; Carbohydrates OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O 46507447 Fructose_6-phosphate DB04493 Fructose-6-phosphate BE0001199 GPI P06744 G6PI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hexose phosphates Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Sugar Phosphates; Hexosephosphates; Carbohydrates OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O 46507447 Fructose_6-phosphate DB04495 Paratoulene phosphate BE0000838 SRC P12931 SRC_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Phosphoamino Acids; Amino Acids; Lactams; Amino Acids, Cyclic; Amides; Amino Acids, Peptides, and Proteins; Azepines; Amino Acids, Aromatic" CC(=O)N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O 46507314 CHEMBL25826 DB04505 "8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives COC1=C(OC)C(OC)=C(Cl)C(CC2=NC3=C(N)N=CN=C3N2CCCC#C)=C1 46504485 CHEMBL326523 DB04510 3-phospho-D-glyceric acid BE0003844 TPI1 P60174 TPIS_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sugar acids and derivatives Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Sugar Acids; Hydroxy Acids; Carbohydrates; Acids, Acyclic" O[C@H](COP(O)(O)=O)C(O)=O 46506415 3-Phosphoglyceric_acid CHEMBL1160563 DB04510 3-phospho-D-glyceric acid BE0004454 PGK1 P00558 PGK1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sugar acids and derivatives Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Sugar Acids; Hydroxy Acids; Carbohydrates; Acids, Acyclic" O[C@H](COP(O)(O)=O)C(O)=O 46506415 3-Phosphoglyceric_acid CHEMBL1160563 DB04513 N-(6-Aminohexyl)-5-Chloro-1-Naphthalenesulfonamide BE0000656 TNNI3 P19429 TNNI3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-naphthalene sulfonic acids and derivatives Organic compounds; Benzenoids; Naphthalenes; Naphthalene sulfonic acids and derivatives "Cardiovascular Agents; Sulfones; Enzyme Inhibitors; Vasodilating Agents; Sulfur Compounds; Amides; Calcium-Calmodulin-Dependent Protein Kinases, antagonists & inhibitors" NCCCCCCNS(=O)(=O)C1=CC=CC2=C1C=CC=C2Cl 46506532 CHEMBL41631 DB04518 "3-[4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol" BE0001072 CDK2 P24941 CDK2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,4,5-trisubstituted thiazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles CC1=NC(C)=C(S1)C1=NC(NC2=CC=CC(O)=C2)=NC=C1 46506305 CHEMBL47527 DB04519 Caprylic acid BE0000071 PPARA Q07869 PPARA_HUMAN 16731579 "Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26." Investigational Medium-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "OAT3/SLC22A8 Inhibitors; Lipids; Acids, Acyclic; Fatty Acids; OAT1/SLC22A6 inhibitors" CCCCCCCC(O)=O Fatty Acid Biosynthesis metabolic 15159 46507647 D05220 Caprylic_acid CHEMBL324846 20178 DB04522 Dexfosfoserine BE0001193 PDPK1 O15530 PDPK1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Phosphoamino Acids; Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](COP(O)(O)=O)C(O)=O "Dihydropyrimidine Dehydrogenase Deficiency (DHPD); 3-Phosphoglycerate Dehydrogenase Deficiency; Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Non-Ketotic Hyperglycinemia; Sarcosinemia; Dimethylglycine Dehydrogenase Deficiency" disease; metabolic 46505297 CHEMBL284377 DB04522 Dexfosfoserine BE0001385 PRKCQ Q04759 KPCT_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Phosphoamino Acids; Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](COP(O)(O)=O)C(O)=O "Dihydropyrimidine Dehydrogenase Deficiency (DHPD); 3-Phosphoglycerate Dehydrogenase Deficiency; Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Non-Ketotic Hyperglycinemia; Sarcosinemia; Dimethylglycine Dehydrogenase Deficiency" disease; metabolic 46505297 CHEMBL284377 DB04522 Dexfosfoserine BE0003761 PRKACA P17612 KAPCA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Phosphoamino Acids; Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](COP(O)(O)=O)C(O)=O "Dihydropyrimidine Dehydrogenase Deficiency (DHPD); 3-Phosphoglycerate Dehydrogenase Deficiency; Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Non-Ketotic Hyperglycinemia; Sarcosinemia; Dimethylglycine Dehydrogenase Deficiency" disease; metabolic 46505297 CHEMBL284377 DB04522 Dexfosfoserine BE0004632 TAOK2 Q9UL54 TAOK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Phosphoamino Acids; Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](COP(O)(O)=O)C(O)=O "Dihydropyrimidine Dehydrogenase Deficiency (DHPD); 3-Phosphoglycerate Dehydrogenase Deficiency; Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Non-Ketotic Hyperglycinemia; Sarcosinemia; Dimethylglycine Dehydrogenase Deficiency" disease; metabolic 46505297 CHEMBL284377 DB04522 Dexfosfoserine BE0003319 KCNC4 Q03721 KCNC4_HUMAN Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Phosphoamino Acids; Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](COP(O)(O)=O)C(O)=O "Dihydropyrimidine Dehydrogenase Deficiency (DHPD); 3-Phosphoglycerate Dehydrogenase Deficiency; Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Non-Ketotic Hyperglycinemia; Sarcosinemia; Dimethylglycine Dehydrogenase Deficiency" disease; metabolic 46505297 CHEMBL284377 DB04522 Dexfosfoserine BE0004445 SMAD2 Q15796 SMAD2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Phosphoamino Acids; Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](COP(O)(O)=O)C(O)=O "Dihydropyrimidine Dehydrogenase Deficiency (DHPD); 3-Phosphoglycerate Dehydrogenase Deficiency; Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Non-Ketotic Hyperglycinemia; Sarcosinemia; Dimethylglycine Dehydrogenase Deficiency" disease; metabolic 46505297 CHEMBL284377 DB04522 Dexfosfoserine BE0001195 CFTR P13569 CFTR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Phosphoamino Acids; Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral" N[C@@H](COP(O)(O)=O)C(O)=O "Dihydropyrimidine Dehydrogenase Deficiency (DHPD); 3-Phosphoglycerate Dehydrogenase Deficiency; Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Non-Ketotic Hyperglycinemia; Sarcosinemia; Dimethylglycine Dehydrogenase Deficiency" disease; metabolic 46505297 CHEMBL284377 DB04525 N-(3-Carboxypropanoyl)-L-phenylalanyl-3-carboxy-O-(carboxymethyl)-N-pentyl-L-tyrosinamide BE0000623 PTPN1 P18031 PTN1_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CCCCCNC(=O)[C@H](CC1=CC=C(OCC(O)=O)C(=C1)C(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCC(O)=O 46506542 CHEMBL175198 DB04527 beta-Hydroxyasparagine BE0004630 MASP2 O00187 MASP2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Asparagine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Basic; Amino Acids, Peptides, and Proteins; Amino Acids, Diamino; Amino Acids, Neutral" N[C@@H]([C@H](O)C(N)=O)C(O)=O 46504466 DB04530 "S,S-(2-Hydroxyethyl)Thiocysteine" BE0000487 PDE4B Q07343 PDE4B_HUMAN 17139284; 17016423 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34." Experimental L-cysteine-S-conjugates "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CSSCCO)C(O)=O 46504681 DB04530 "S,S-(2-Hydroxyethyl)Thiocysteine" BE0003761 PRKACA P17612 KAPCA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-cysteine-S-conjugates "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CSSCCO)C(O)=O 46504681 DB04530 "S,S-(2-Hydroxyethyl)Thiocysteine" BE0000286 ARG1 P05089 ARGI1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-cysteine-S-conjugates "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CSSCCO)C(O)=O 46504681 DB04530 "S,S-(2-Hydroxyethyl)Thiocysteine" BE0004579 SNX3 O60493 SNX3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-cysteine-S-conjugates "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CSSCCO)C(O)=O 46504681 DB04530 "S,S-(2-Hydroxyethyl)Thiocysteine" BE0002654 CYTH2 Q99418 CYH2_HUMAN Experimental L-cysteine-S-conjugates "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CSSCCO)C(O)=O 46504681 DB04534 5-Nitroindazole BE0000005 NOS2 P35228 NOS2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indazoles Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles "Pyrazoles; Heterocyclic Compounds, Fused-Ring" [O-][N+](=O)C1=CC=C2NN=CC2=C1 46505588 CHEMBL165372 DB04537 Tryptophanamide BE0000228 WARS P23381 SYWC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tryptamines and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives "Amino Acids; Amino Acids, Cyclic; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic" N[C@@H](CC1=CNC2=C1C=CC=C2)C(N)=O 46508052 CHEMBL227123 DB04539 Glyphosate BE0002090 CYP19A1 P11511 CP19A_HUMAN 15929894 "Richard S, Moslemi S, Sipahutar H, Benachour N, Seralini GE: Differential effects of glyphosate and roundup on human placental cells and aromatase. Environ Health Perspect. 2005 Jun;113(6):716-20." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Anti-Infective Agents; Organophosphates; Herbicides; Uncoupling Agents; Enzyme Inhibitors; Organophosphorus Compounds; Pesticides; Agrochemicals; Toxic Actions; Amino Acids, Peptides, and Proteins; Compounds used in a research, industrial, or household setting" OC(=O)C[NH2+]CP(O)(O)=O 46506916 DNC000698 Glyphosate 1800093 DB04540 Cholesterol BE0000779 VDR P11473 VDR_HUMAN 16051528 "Mooijaart SP, Brandt BW, Baldal EA, Pijpe J, Kuningas M, Beekman M, Zwaan BJ, Slagboom PE, Westendorp RG, van Heemst D: C. elegans DAF-12, Nuclear Hormone Receptors and human longevity and disease at old age. Ageing Res Rev. 2005 Aug;4(3):351-71." Approved; Investigational Cholesterols and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids Cholestanes; Fused-Ring Compounds; P-glycoprotein inhibitors; Sterols; Lipids; Cholestenes; Steroids; BCRP/ABCG2 Inducers; Membrane Lipids [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C "Cerivastatin Action Pathway; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; Zellweger Syndrome; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Risedronate Action Pathway; Mevalonic Aciduria; Congenital Bile Acid Synthesis Defect Type II; Apparent Mineralocorticoid Excess Syndrome; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; 11-beta-Hydroxylase Deficiency (CYP11B1); Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Bile Acid Biosynthesis; Corticosterone Methyl Oxidase I Deficiency (CMO I); 27-Hydroxylase Deficiency; Steroidogenesis; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 9250 46508234 D00040 Cholesterol CHEMBL112570 2438 DB04540 Cholesterol BE0009096 CLEC4E Q9ULY5 CLC4E_HUMAN ligand 26296894 "Kiyotake R, Oh-Hora M, Ishikawa E, Miyamoto T, Ishibashi T, Yamasaki S: Human Mincle Binds to Cholesterol Crystals and Triggers Innate Immune Responses. J Biol Chem. 2015 Oct 16;290(42):25322-32. doi: 10.1074/jbc.M115.645234. Epub 2015 Aug 20." Approved; Investigational Cholesterols and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids Cholestanes; Fused-Ring Compounds; P-glycoprotein inhibitors; Sterols; Lipids; Cholestenes; Steroids; BCRP/ABCG2 Inducers; Membrane Lipids [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C "Cerivastatin Action Pathway; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; Zellweger Syndrome; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Risedronate Action Pathway; Mevalonic Aciduria; Congenital Bile Acid Synthesis Defect Type II; Apparent Mineralocorticoid Excess Syndrome; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; 11-beta-Hydroxylase Deficiency (CYP11B1); Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Bile Acid Biosynthesis; Corticosterone Methyl Oxidase I Deficiency (CMO I); 27-Hydroxylase Deficiency; Steroidogenesis; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 9250 46508234 D00040 Cholesterol CHEMBL112570 2438 DB04540 Cholesterol BE0004545 RORA P35398 RORA_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Cholesterols and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids Cholestanes; Fused-Ring Compounds; P-glycoprotein inhibitors; Sterols; Lipids; Cholestenes; Steroids; BCRP/ABCG2 Inducers; Membrane Lipids [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C "Cerivastatin Action Pathway; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; Zellweger Syndrome; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Risedronate Action Pathway; Mevalonic Aciduria; Congenital Bile Acid Synthesis Defect Type II; Apparent Mineralocorticoid Excess Syndrome; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; 11-beta-Hydroxylase Deficiency (CYP11B1); Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Bile Acid Biosynthesis; Corticosterone Methyl Oxidase I Deficiency (CMO I); 27-Hydroxylase Deficiency; Steroidogenesis; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 9250 46508234 D00040 Cholesterol CHEMBL112570 2438 DB04549 "4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide" BE0000322 CA2 P00918 CAH2_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-benzylbenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C(F)=C(F)C=C1 46505961 CHEMBL66907 DB04552 Niflumic acid BE0003997 PLA2G1B P04054 PA21B_HUMAN inhibitor 16301791; 10592235 "Jabeen T, Singh N, Singh RK, Sharma S, Somvanshi RK, Dey S, Singh TP: Non-steroidal anti-inflammatory drugs as potent inhibitors of phospholipase A2: structure of the complex of phospholipase A2 with niflumic acid at 2.5 Angstroms resolution. Acta Crystallogr D Biol Crystallogr. 2005 Dec;61(Pt 12):1579-86. Epub 2005 Nov 19.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes "Sensory System Agents; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; ortho-Aminobenzoates; Nephrotoxic agents; Benzene Derivatives; Pyridines; UGT1A9 Inhibitors; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Benzoates; Nicotinic Acids; Aminobenzoates; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Musculo-Skeletal System; Acids, Carbocyclic; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Fenamates; Cyclooxygenase Inhibitors; Antirheumatic Agents; Niflumic Acid and Prodrugs" OC(=O)C1=C(NC2=CC=CC(=C2)C(F)(F)F)N=CC=C1 46504657 D08275 PA164746749 DAP000972 Niflumic_acid CHEMBL63323 7418 DB04552 Niflumic acid BE0000657 PLA2G4A P47712 PA24A_HUMAN 16301791 "Jabeen T, Singh N, Singh RK, Sharma S, Somvanshi RK, Dey S, Singh TP: Non-steroidal anti-inflammatory drugs as potent inhibitors of phospholipase A2: structure of the complex of phospholipase A2 with niflumic acid at 2.5 Angstroms resolution. Acta Crystallogr D Biol Crystallogr. 2005 Dec;61(Pt 12):1579-86. Epub 2005 Nov 19." Experimental Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes "Sensory System Agents; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; ortho-Aminobenzoates; Nephrotoxic agents; Benzene Derivatives; Pyridines; UGT1A9 Inhibitors; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Benzoates; Nicotinic Acids; Aminobenzoates; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Musculo-Skeletal System; Acids, Carbocyclic; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Fenamates; Cyclooxygenase Inhibitors; Antirheumatic Agents; Niflumic Acid and Prodrugs" OC(=O)C1=C(NC2=CC=CC(=C2)C(F)(F)F)N=CC=C1 46504657 D08275 PA164746749 DAP000972 Niflumic_acid CHEMBL63323 7418 DB04557 Arachidonic Acid BE0000071 PPARA Q07869 PPARA_HUMAN 10403814; 15491415 "Murakami K, Ide T, Suzuki M, Mochizuki T, Kadowaki T: Evidence for direct binding of fatty acids and eicosanoids to human peroxisome proliferators-activated receptor alpha. Biochem Biophys Res Commun. 1999 Jul 14;260(3):609-13.@@Downie MM, Sanders DA, Maier LM, Stock DM, Kealey T: Peroxisome proliferator-activated receptor and farnesoid X receptor ligands differentially regulate sebaceous differentiation in human sebaceous gland organ cultures in vitro. Br J Dermatol. 2004 Oct;151(4):766-75." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Fatty Acids, Essential; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Lipids; Fatty Acids; Eicosanoids; Fatty Acids, Unsaturated; Arachidonic Acids" CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; Rofecoxib Action Pathway; Ketoprofen Action Pathway; Sulindac Action Pathway; Fenoprofen Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; Tolmetin Action Pathway; Lornoxicam Action Pathway; Trisalicylate-Choline Action Pathway; Antrafenine Action Pathway; Celecoxib Action Pathway; Suprofen Action Pathway; Indomethacin Action Pathway; Valdecoxib Action Pathway; Ketorolac Action Pathway; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Tiaprofenic Acid Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Ibuprofen Action Pathway; Tenoxicam Action Pathway; Salicylic Acid Action Pathway; Diclofenac Action Pathway; Nepafenac Action Pathway; Leukotriene C4 Synthesis Deficiency; Magnesium Salicylate Action Pathway; Diflunisal Action Pathway; Etodolac Action Pathway disease; metabolic; drug_action 46506683 DNC000249 CHEMBL15594 1368624 DB04557 Arachidonic Acid BE0001777 NR1H4 Q96RI1 NR1H4_HUMAN ligand 15307955 "Zhao A, Yu J, Lew JL, Huang L, Wright SD, Cui J: Polyunsaturated fatty acids are FXR ligands and differentially regulate expression of FXR targets. DNA Cell Biol. 2004 Aug;23(8):519-26." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Fatty Acids, Essential; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Lipids; Fatty Acids; Eicosanoids; Fatty Acids, Unsaturated; Arachidonic Acids" CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; Rofecoxib Action Pathway; Ketoprofen Action Pathway; Sulindac Action Pathway; Fenoprofen Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; Tolmetin Action Pathway; Lornoxicam Action Pathway; Trisalicylate-Choline Action Pathway; Antrafenine Action Pathway; Celecoxib Action Pathway; Suprofen Action Pathway; Indomethacin Action Pathway; Valdecoxib Action Pathway; Ketorolac Action Pathway; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Tiaprofenic Acid Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Ibuprofen Action Pathway; Tenoxicam Action Pathway; Salicylic Acid Action Pathway; Diclofenac Action Pathway; Nepafenac Action Pathway; Leukotriene C4 Synthesis Deficiency; Magnesium Salicylate Action Pathway; Diflunisal Action Pathway; Etodolac Action Pathway disease; metabolic; drug_action 46506683 DNC000249 CHEMBL15594 1368624 DB04557 Arachidonic Acid BE0000412 RXRA P19793 RXRA_HUMAN 15073272 "Lengqvist J, Mata De Urquiza A, Bergman AC, Willson TM, Sjovall J, Perlmann T, Griffiths WJ: Polyunsaturated fatty acids including docosahexaenoic and arachidonic acid bind to the retinoid X receptor alpha ligand-binding domain. Mol Cell Proteomics. 2004 Jul;3(7):692-703. Epub 2004 Apr 8." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Fatty Acids, Essential; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Lipids; Fatty Acids; Eicosanoids; Fatty Acids, Unsaturated; Arachidonic Acids" CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; Rofecoxib Action Pathway; Ketoprofen Action Pathway; Sulindac Action Pathway; Fenoprofen Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; Tolmetin Action Pathway; Lornoxicam Action Pathway; Trisalicylate-Choline Action Pathway; Antrafenine Action Pathway; Celecoxib Action Pathway; Suprofen Action Pathway; Indomethacin Action Pathway; Valdecoxib Action Pathway; Ketorolac Action Pathway; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Tiaprofenic Acid Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Ibuprofen Action Pathway; Tenoxicam Action Pathway; Salicylic Acid Action Pathway; Diclofenac Action Pathway; Nepafenac Action Pathway; Leukotriene C4 Synthesis Deficiency; Magnesium Salicylate Action Pathway; Diflunisal Action Pathway; Etodolac Action Pathway disease; metabolic; drug_action 46506683 DNC000249 CHEMBL15594 1368624 DB04562 Tricarballylic acid BE0004504 ACO2 Q99798 ACON_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Acids, Acyclic" OC(=O)CC(CC(O)=O)C(O)=O 46507955 "Propane-1,2,3-tricarboxylic_acid" CHEMBL1236394 DB04564 Gluconolactone BE0004338 LCT P09848 LPH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Experimental Gluconolactones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Sugar Acids; Calculi Dissolution Agent; Irrigation; Hydroxy Acids; Carbohydrates; Acids, Acyclic" OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O Transaldolase Deficiency; Pentose Phosphate Pathway; Ribose-5-phosphate Isomerase Deficiency; Glucose-6-phosphate Dehydrogenase Deficiency disease; metabolic 46506698 D04332 Gluconolactone CHEMBL1200829 25842 DB04566 Inosinic Acid BE0002231 ADSSL1 Q8N142 PURA1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Heterocyclic Compounds, Fused-Ring; Purines; Purine Nucleotides; Inosine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O 46504691 Inosinic_acid CHEMBL1207374 5832 DB04573 Estriol BE0000123 ESR1 P03372 ESR1_HUMAN agonist 2011412; 11752352 "Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Vet_approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Fused-Ring Compounds; Steroids; Gonadal Steroid Hormones; P-glycoprotein substrates; Gonadal Hormones; Estrogens; Estranes; Hormones; P-glycoprotein inducers; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; Sex Hormones and Modulators of the Genital System; Estradiol Congeners; Thyroxine-binding globulin inducers; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone Metabolism metabolic 46505881 D00185 PA164769104 DAP001019 Estriol CHEMBL193482 4094 DB04573 Estriol BE0000792 ESR2 Q92731 ESR2_HUMAN agonist 16199482 "Mishra RG, Stanczyk FZ, Burry KA, Oparil S, Katzenellenbogen BS, Nealen ML, Katzenellenbogen JA, Hermsmeyer RK: Metabolite ligands of estrogen receptor-beta reduce primate coronary hyperreactivity. Am J Physiol Heart Circ Physiol. 2006 Jan;290(1):H295-303. Epub 2005 Sep 30." Approved; Investigational; Vet_approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Fused-Ring Compounds; Steroids; Gonadal Steroid Hormones; P-glycoprotein substrates; Gonadal Hormones; Estrogens; Estranes; Hormones; P-glycoprotein inducers; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; Sex Hormones and Modulators of the Genital System; Estradiol Congeners; Thyroxine-binding globulin inducers; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone Metabolism metabolic 46505881 D00185 PA164769104 DAP001019 Estriol CHEMBL193482 4094 DB04573 Estriol BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Approved; Investigational; Vet_approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Fused-Ring Compounds; Steroids; Gonadal Steroid Hormones; P-glycoprotein substrates; Gonadal Hormones; Estrogens; Estranes; Hormones; P-glycoprotein inducers; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; Sex Hormones and Modulators of the Genital System; Estradiol Congeners; Thyroxine-binding globulin inducers; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone Metabolism metabolic 46505881 D00185 PA164769104 DAP001019 Estriol CHEMBL193482 4094 DB04574 Estrone sulfate BE0000123 ESR1 P03372 ESR1_HUMAN agonist 17125913; 17138652; 2011412; 11752352 "Brama M, Gnessi L, Basciani S, Cerulli N, Politi L, Spera G, Mariani S, Cherubini S, Scotto d'Abusco A, Scandurra R, Migliaccio S: Cadmium induces mitogenic signaling in breast cancer cell by an ERalpha-dependent mechanism. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):102-8. Epub 2006 Nov 27.@@Lehnes K, Winder AD, Alfonso C, Kasid N, Simoneaux M, Summe H, Morgan E, Iann MC, Duncan J, Eagan M, Tavaluc R, Evans CH Jr, Russell R, Wang A, Hu F, Stoica A: The effect of estradiol on in vivo tumorigenesis is modulated by the human epidermal growth factor receptor 2/phosphatidylinositol 3-kinase/Akt1 pathway. Endocrinology. 2007 Mar;148(3):1171-80. Epub 2006 Nov 30.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Sulfated steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Sulfated steroids "MATE 1 Substrates; MATE 2 Substrates; Ketosteroids; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estradiol Congeners; Estrenes; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Estrogens, Conjugated (USP); Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Hormones; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); NTCP Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; 17-Ketosteroids; MATE substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS(O)(=O)=O)C=C3 Sulfite Oxidase Deficiency; Estrone Metabolism; Aromatase Deficiency; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androgen and Estrogen Metabolism; Sulfate/Sulfite Metabolism disease; metabolic 4601 46508976 PA165958342 Estropipate CHEMBL494753 DB04574 Estrone sulfate BE0000792 ESR2 Q92731 ESR2_HUMAN agonist 17464340; 2011412 "Vijayanathan V, Greenfield NJ, Thomas TJ, Ivanova MM, Tyulmenkov VV, Klinge CM, Gallo MA, Thomas T: Effects of estradiol and 4-hydroxytamoxifen on the conformation, thermal stability, and DNA recognition of estrogen receptor beta. Biochem Cell Biol. 2007 Feb;85(1):1-10.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69." Approved Sulfated steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Sulfated steroids "MATE 1 Substrates; MATE 2 Substrates; Ketosteroids; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estradiol Congeners; Estrenes; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Estrogens, Conjugated (USP); Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Hormones; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); NTCP Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; 17-Ketosteroids; MATE substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS(O)(=O)=O)C=C3 Sulfite Oxidase Deficiency; Estrone Metabolism; Aromatase Deficiency; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androgen and Estrogen Metabolism; Sulfate/Sulfite Metabolism disease; metabolic 4601 46508976 PA165958342 Estropipate CHEMBL494753 DB04575 Quinestrol BE0000123 ESR1 P03372 ESR1_HUMAN agonist 17139284; 17016423; 11752352; 21075131 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Shyu C, Cavileer TD, Nagler JJ, Ytreberg FM: Computational estimation of rainbow trout estrogen receptor binding affinities for environmental estrogens. Toxicol Appl Pharmacol. 2011 Feb 1;250(3):322-6. doi: 10.1016/j.taap.2010.11.005. Epub 2010 Nov 12." Approved Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Fused-Ring Compounds; Norpregnanes; Norsteroids; Steroids; Gonadal Steroid Hormones; Gonadal Hormones; Norpregnatrienes; Estrogens; Hormones; Ethinyl Estradiol; Thyroxine-binding globulin inducers; Estradiol Congeners; Estrogenic Steroids, Alkylated; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC1CCCC1)C=C3 46508939 D00576 PA164749042 DAP001016 Quinestrol CHEMBL1201165 9066 DB04576 Fleroxacin BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 11752352; 1323952; 3015015 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Robinson MJ, Martin BA, Gootz TD, McGuirk PR, Osheroff N: Effects of novel fluoroquinolones on the catalytic activities of eukaryotic topoisomerase II: Influence of the C-8 fluorine group. Antimicrob Agents Chemother. 1992 Apr;36(4):751-6.@@Hussy P, Maass G, Tummler B, Grosse F, Schomburg U: Effect of 4-quinolones and novobiocin on calf thymus DNA polymerase alpha primase complex, topoisomerases I and II, and growth of mammalian lymphoblasts. Antimicrob Agents Chemother. 1986 Jun;29(6):1073-8." Experimental Quinoline carboxylic acids Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids "Potential QTc-Prolonging Agents; Anti-Infective Agents; Topoisomerase II Inhibitors; Heterocyclic Compounds, Fused-Ring; Fluoroquinolones; QTc Prolonging Agents; Enzyme Inhibitors; Topoisomerase Inhibitors; Anti-Bacterial Agents; Antibacterials for Systemic Use; Quinolones; Quinolines; Antiinfectives for Systemic Use; Antineoplastic Agents" CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN(CCF)C2=C1F)C(O)=O 46506357 D01716 PA164774762 DAP000928 Fleroxacin CHEMBL6273 42322 DB04579 "N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-threonyl-L-isoleucine" BE0000939 CTSB P07858 CATB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O 46504475 DB04585 DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID BE0000286 ARG1 P05089 ARGI1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CC\C=C\[B-](O)(O)O)C(O)=O 46507630 DB04588 "N-[4-(AMINOSULFONYL)BENZYL]-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles NS(=O)(=O)C1=CC=C(CNC(=O)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1 46506992 CHEMBL200255 DB04590 (2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){5-ETHOXY-2-FLUORO-3-[(3R)-TETRAHYDROFURAN-3-YLOXY]PHENYL}ACETICACID BE0000333 F7 P08709 FA7_HUMAN Experimental D-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CCOC1=CC([C@@H](NC2=CC=C(C=C2)C(N)=N)C(O)=O)=C(F)C(O[C@@H]2CCOC2)=C1 46505729 DB04593 3-({1-[3-CARBAMIMIDOYL-1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-PROPYLCARBAMOYL]-2-METHYL-BUTYLSULFAMOYL}-METHYL)-BENZOIC ACID BE0000333 F7 P08709 FA7_HUMAN Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC(=CC=C1)C(O)=O)C(=O)N[C@@H](CCC(N)=N)C(=O)NCC1=CC=C(C=C1)C(N)=N 46504568 DB04594 3-hydroxyglutaric acid BE0003332 HMGCL P35914 HMGCL_HUMAN Experimental Beta hydroxy acids and derivatives Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives "Acids, Acyclic; Dicarboxylic Acids" OC(CC(O)=O)CC(O)=O 46508402 CHEMBL556937 DB04599 Aniracetam BE0000829 GRIA2 P42262 GRIA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Psychotropic Drugs; Pyrrolidines; Central Nervous System Agents; Central Nervous System Depressants; Psychostimulants, Agents Used for ADHD and Nootropics; Psychoanaleptics; Nervous System; Antidepressive Agents; Nootropic Agents" COC1=CC=C(C=C1)C(=O)N1CCCC1=O 46506607 D01883 Aniracetam CHEMBL36994 17939 DB04599 Aniracetam BE0000831 GRIA3 P42263 GRIA3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Psychotropic Drugs; Pyrrolidines; Central Nervous System Agents; Central Nervous System Depressants; Psychostimulants, Agents Used for ADHD and Nootropics; Psychoanaleptics; Nervous System; Antidepressive Agents; Nootropic Agents" COC1=CC=C(C=C1)C(=O)N1CCCC1=O 46506607 D01883 Aniracetam CHEMBL36994 17939 DB04600 "4-[(3-BROMO-4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE" BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylhydrazines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines NS(=O)(=O)OC1=CC=C(CN(N2C=NN=C2)C2=CC=C(C=C2)C#N)C=C1Br 46508682 CHEMBL108483 DB04601 "4-[(4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE" BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylhydrazines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines NS(=O)(=O)OC1=CC=C(CN(N2C=NN=C2)C2=CC=C(C=C2)C#N)C=C1 46507413 CHEMBL430879 DB04604 5-iodotubercidin BE0003334 CSNK1G2 P78368 KC1G2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolopyrimidine nucleosides and nucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Pyrrolopyrimidine nucleosides and nucleotides" "Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Nucleosides; Nucleic Acids, Nucleotides, and Nucleosides; Adenosine Kinase, antagonists & inhibitors" [H][C@]1(CO)O[C@@]([H])(N2C=C(I)C3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O 46506259 CHEMBL99203 DB04606 2-[2-ETHANESULFONYLAMINO-3-(5-PROPOXY-1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE) BE0000333 F7 P08709 FA7_HUMAN Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CCCOC1=CC2=C(NC=C2C[C@@H](NS(=O)(=O)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC2=CC=C(C=C2)C(N)=N)C=C1 46507880 DB04607 "PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds NS(=O)(=O)C1=CC=C(NC2=CN3C=C(C=CC3=N2)C(=O)C2=C(Cl)C=CC=C2Cl)C=C1 46506780 CHEMBL182260 DB04608 "9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE" BE0003335 WEE1 P30291 WEE1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles OC1=CC2=C(NC3=CC(=C4C(=O)NC(=O)C4=C23)C2=CC=CC=C2)C=C1 46505289 CHEMBL214253 DB04620 Cycloleucine BE0000365 GRIN1 Q05586 NMDZ1_HUMAN 2170997; 2556198; 2843389; 10592235 "Herberg LJ, Rose IC: Effects of D-cycloserine and cycloleucine, ligands for the NMDA-associated strychnine-insensitive glycine site, on brain-stimulation reward and spontaneous locomotion. Pharmacol Biochem Behav. 1990 Aug;36(4):735-8.@@Hershkowitz N, Rogawski MA: Cycloleucine blocks NMDA responses in cultured hippocampal neurones under voltage clamp: antagonism at the strychnine-insensitive glycine receptor. Br J Pharmacol. 1989 Nov;98(3):1005-13.@@Snell LD, Johnson KM: Cycloleucine competitively antagonizes the strychnine-insensitive glycine receptor. Eur J Pharmacol. 1988 Jun 22;151(1):165-6.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Cycloparaffins; Amino Acids, Cyclic; Cyclopentanes; Amino Acids, Peptides, and Proteins" NC1(CCCC1)C(O)=O 46505671 Cycloleucine CHEMBL295830 DB04630 Aldosterone BE0000794 NR3C1 P04150 GCR_HUMAN 11861974 "Wilson VS, Bobseine K, Lambright CR, Gray LE Jr: A novel cell line, MDA-kb2, that stably expresses an androgen- and glucocorticoid-responsive reporter for the detection of hormone receptor agonists and antagonists. Toxicol Sci. 2002 Mar;66(1):69-81." Experimental; Investigational 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnenes; Corticosteroids for Systemic Use; Cytochrome P-450 CYP3A Substrates; Corticosteroids for Systemic Use, Plain; P-glycoprotein inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Hydroxycorticosteroids; P-glycoprotein substrates; 11-Hydroxycorticosteroids; Steroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Pregnenediones; Mineralocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C=O)C(=O)CO 46505770 PA164924487 DAP001344 Aldosterone CHEMBL273453 1312358 DB04630 Aldosterone BE0000668 NR3C2 P08235 MCR_HUMAN agonist 9392437; 17724138; 10592235; 19275887 "Bruner KL, Derfoul A, Robertson NM, Guerriero G, Fernandes-Alnemri T, Alnemri ES, Litwack G: The unliganded mineralocorticoid receptor is associated with heat shock proteins 70 and 90 and the immunophilin FKBP-52. Recept Signal Transduct. 1997;7(2):85-98.@@Bunda S, Liu P, Wang Y, Liu K, Hinek A: Aldosterone induces elastin production in cardiac fibroblasts through activation of insulin-like growth factor-I receptors in a mineralocorticoid receptor-independent manner. Am J Pathol. 2007 Sep;171(3):809-19.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Bergann T, Ploger S, Fromm A, Zeissig S, Borden SA, Fromm M, Schulzke JD: A colonic mineralocorticoid receptor cell model expressing epithelial Na+ channels. Biochem Biophys Res Commun. 2009 May 1;382(2):280-5. doi: 10.1016/j.bbrc.2009.03.006. Epub 2009 Mar 9." Experimental; Investigational 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnenes; Corticosteroids for Systemic Use; Cytochrome P-450 CYP3A Substrates; Corticosteroids for Systemic Use, Plain; P-glycoprotein inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Hydroxycorticosteroids; P-glycoprotein substrates; 11-Hydroxycorticosteroids; Steroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Pregnenediones; Mineralocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C=O)C(=O)CO 46505770 PA164924487 DAP001344 Aldosterone CHEMBL273453 1312358 DB04632 4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers OC1=C(CNC2CCN(CC2)S(=O)(=O)NC2=CC(OC3=CC=C(F)C=C3)=CC=C2)C=CC=C1 46508738 CHEMBL197277 DB04638 "2,5-di-tert-butylhydroquinone" BE0003888 ATP2A1 O14983 AT2A1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpropanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes "Antioxidants; Biological Factors; Enzyme Inhibitors; Phenols; Calcium-Transporting ATPases, antagonists & inhibitors; Protective Agents; Benzene Derivatives; Compounds used in a research, industrial, or household setting" CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C 46508225 CHEMBL480626 DB04648 S-propylamine-L-cysteine BE0000286 ARG1 P05089 ARGI1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,2-aminoalcohols" Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines NCCCSC[C@H](N)CO 46508692 DB04652 Corticosterone BE0000329 HSD11B1 P28845 DHI1_HUMAN substrate 10592235; 11755176 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Pacha J, Lisa V, Miksik I: Effect of cellular differentiation on 11beta-hydroxysteroid dehydrogenase activity in the intestine. Steroids. 2002 Feb;67(2):119-26. doi: 10.1016/s0039-128x(01)00143-x." Experimental 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Fused-Ring Compounds; Pregnenes; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Anti-Inflammatory Agents; Pregnenediones; Cytochrome P-450 CYP3A Substrates; Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Substrates; Steroids; 11-Hydroxycorticosteroids; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(O)C[C@]12C)C(=O)CO Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21) disease; metabolic 46504547 Corticosterone CHEMBL110739 DB04652 Corticosterone BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Fused-Ring Compounds; Pregnenes; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Anti-Inflammatory Agents; Pregnenediones; Cytochrome P-450 CYP3A Substrates; Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Substrates; Steroids; 11-Hydroxycorticosteroids; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(O)C[C@]12C)C(=O)CO Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21) disease; metabolic 46504547 Corticosterone CHEMBL110739 DB04652 Corticosterone BE0000668 NR3C2 P08235 MCR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Fused-Ring Compounds; Pregnenes; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Anti-Inflammatory Agents; Pregnenediones; Cytochrome P-450 CYP3A Substrates; Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Substrates; Steroids; 11-Hydroxycorticosteroids; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(O)C[C@]12C)C(=O)CO Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21) disease; metabolic 46504547 Corticosterone CHEMBL110739 DB04653 N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1S)-3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]-L-leucinamide BE0003346 CAPN1 P07384 CAN1_HUMAN Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H]N([C@@H](CC(C)C)C(=O)N([H])[C@@H](CC(C)C)C(=O)N([H])[C@@H](CC1=CC=C(O)C=C1)C(=O)CF)C(=O)OCC1=CC=CC=C1 46507912 CHEMBL72006 DB04657 Carboxin BE0000176 SDHA P31040 SDHA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Experimental Anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "Aniline Compounds; Amines; Fungicides, Industrial; Pesticides; Agrochemicals; Amides; Anilides; Toxic Actions; Oxathiins; Compounds used in a research, industrial, or household setting" CC1=C(SCCO1)C(=O)NC1=CC=CC=C1 46507275 CHEMBL1231667 DB04659 "(1S,2S,3R,4S,5S)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE" BE0004338 LCT P09848 LPH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Cyclohexanols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols OC[C@H]1C[C@@H](S\C(=N/OS(O)(=O)=O)CC2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O 46507070 DB04660 Choline alfoscerate BE0001432 GM2A P17900 SAP3_HUMAN Experimental; Investigational Glycerophosphocholines Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines Parasympathomimetics; Biological Products; Phosphatidic Acids; Phospholipids; Plant Preparations; Plant Extracts; Sugar Alcohols; Phosphatidylcholines; Carbohydrates; Triose Sugar Alcohols; Lipids; Alcohols; Glycerophospholipids; Nervous System; Lecithins; Glycerophosphates; Membrane Lipids [H][C@@](O)(CO)COP([O-])(=O)OCC[N+](C)(C)C 46508680 D07349 Alpha-GPC CHEMBL1567463 4918 DB04662 OLOMOUCINE II BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-alkylaminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Cyclin-Dependent Kinases, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring" [H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(NCC2=CC=CC=C2O)=N1 46505067 CHEMBL1094304 DB04669 TRIAZOLOPYRIMIDINE BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives BrC1=CC=CC(=C1)C1=NC2=[N+](NC=N2)C(NCC2=CC=NC=C2)=C1 46505862 DB04673 4-[(5-CHLOROINDOL-2-YL)SULFONYL]-2-(2-METHYLPROPYL)-1-[[5-(PYRIDIN-4-YL)PYRIMIDIN-2-YL]CARBONYL]PIPERAZINE BE0000216 F10 P00742 FA10_HUMAN Experimental [H][C@@]1(CC(C)C)CN(CCN1C(=O)C1=NC=C(C=N1)C1=CC=NC=C1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2N1 46508815 DB04678 H TYPE II TRISACCHARIDE BE0000214 ABO P16442 BGAT_HUMAN Experimental Acylaminosugars Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O 46508022 CHEMBL1232343 DB04679 Human blood group H type 1 trisaccharide BE0000214 ABO P16442 BGAT_HUMAN Experimental Acylaminosugars Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Antigens; Biological Factors; Biomarkers, Tumor; Epitopes; Antigens, Neoplasm; Biomarkers" C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O 46507840 DB04680 GALACTOSE GREASE BE0000214 ABO P16442 BGAT_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty acyl glycosides of mono- and disaccharides Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides [H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCCCCC(=O)OC)[C@]1([H])O 46506565 DB04681 BETA-METHYLLACTOSIDE BE0000214 ABO P16442 BGAT_HUMAN Experimental O-glycosyl compounds Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 46505957 CHEMBL503075 DB04689 2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID BE0000215 PPARG P37231 PPARG_HUMAN Experimental Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones CCCC1=C(OCCCOC2=CC3=C(C=C2)N(CC(O)=O)C=C3)C=CC2=C1C=CC(=C2)C(=O)C1=CC=CC=C1 46506649 CHEMBL201880 DB04690 Camptothecin BE0000971 TOP1 P11387 TOP1_HUMAN inhibitor 11752352; 18061144; 18056711; 10592235; 2154178 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Teicher BA: Next generation topoisomerase I inhibitors: Rationale and biomarker strategies. Biochem Pharmacol. 2008 Mar 15;75(6):1262-71. Epub 2007 Oct 22.@@van der Merwe M, Bjornsti MA: Mutation of Gly721 alters DNA topoisomerase I active site architecture and sensitivity to camptothecin. J Biol Chem. 2008 Feb 8;283(6):3305-15. Epub 2007 Dec 4.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Mattern MR, Mong S, Mong SM, Bartus JO, Sarau HM, Clark MA, Foley JJ, Crooke ST: Transient activation of topoisomerase I in leukotriene D4 signal transduction in human cells. Biochem J. 1990 Jan 1;265(1):101-7. doi: 10.1042/bj2650101." Experimental Camptothecins Organic compounds; Alkaloids and derivatives; Camptothecins "BCRP/ABCG2 Substrates; Enzyme Inhibitors; Topoisomerase Inhibitors; Alkaloids; Antineoplastic Agents, Phytogenic; Topoisomerase I Inhibitors; P-glycoprotein substrates; Antineoplastic Agents" CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O 46507644 PA153590860 Camptothecin CHEMBL65 DB04695 Farnesyl thiopyrophosphate BE0004094 MVK Q03426 KIME_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sesquiterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Terpenes [H]\C(CC\C(C)=C(/[H])CSP(O)(=O)OP(O)(O)=O)=C(\C)CCC=C(C)C 46506151 DB04700 GLUTATHIONE SULFINATE BE0000808 GSTK1 Q9Y2Q3 GSTK1_HUMAN Experimental Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" N[C@@H](CCC(=O)N[C@@H](C[S@](O)=O)C(=O)NCC(O)=O)C(O)=O 46506088 DB04703 Hesperidin BE0003404 AURKB Q96GD4 AURKB_HUMAN regulator 10592235; 26732741 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@de Groot CO, Hsia JE, Anzola JV, Motamedi A, Yoon M, Wong YL, Jenkins D, Lee HJ, Martinez MB, Davis RL, Gahman TC, Desai A, Shiau AK: A Cell Biologist's Field Guide to Aurora Kinase Inhibitors. Front Oncol. 2015 Dec 21;5:285. doi: 10.3389/fonc.2015.00285. eCollection 2015." Approved; Investigational Flavonoid-7-O-glycosides Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides "Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Glycosides; Carbohydrates; Flavanones; Pyrans; Flavonoids" COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O 9034 46506898 D01038 PA449867 Hesperidin CHEMBL449317 5281 DB04707 Hydroxyfasudil BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolones and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives "Heterocyclic Compounds, Fused-Ring; Piperazines; Sulfones; Sulfur Compounds; Isoquinolines; Sulfonamides" O=C1NC=CC2=C(C=CC=C12)S(=O)(=O)N1CCCNCC1 46508609 DNC000754 CHEMBL1233300 DB04707 Hydroxyfasudil BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolones and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives "Heterocyclic Compounds, Fused-Ring; Piperazines; Sulfones; Sulfur Compounds; Isoquinolines; Sulfonamides" O=C1NC=CC2=C(C=CC=C12)S(=O)(=O)N1CCCNCC1 46508609 DNC000754 CHEMBL1233300 DB04707 Hydroxyfasudil BE0001016 ROCK1 Q13464 ROCK1_HUMAN inhibitor 11752352; 10592235 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolones and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives "Heterocyclic Compounds, Fused-Ring; Piperazines; Sulfones; Sulfur Compounds; Isoquinolines; Sulfonamides" O=C1NC=CC2=C(C=CC=C12)S(=O)(=O)N1CCCNCC1 46508609 DNC000754 CHEMBL1233300 DB04709 "(3AALPHA,4ALPHA,7ALPHA,7AALPHA)- 3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE" BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Nitronaphthalenes Organic compounds; Benzenoids; Naphthalenes; Nitronaphthalenes [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@]1([H])CC[C@@]2([H])CC1)C1=CC=C(C2=CC=CC=C12)[N+]([O-])=O 46506034 DB04714 ISOPENTENYL PYROPHOSPHATE BE0000776 FDPS P14324 FPPS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoprenoid phosphates Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Isoprenoid phosphates Terpenes CC(=C)CCO[P@](O)(=O)OP(O)(O)=O "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Hyper-IgD Syndrome; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Risedronate Action Pathway; Mevalonic Aciduria; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; CHILD Syndrome; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Wolman Disease; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 46508890 CHEMBL356362 DB04716 "2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one" BE0003788 DAPK3 O43293 DAPK3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolones and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives "Pyridines; Heterocyclic Compounds, Fused-Ring" CC(C)(C)C1=NC2=C3C=CNC(=O)C3=C3C=C(F)C=CC3=C2N1 46505719 CHEMBL21156 DB04716 "2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one" BE0004145 JAK1 P23458 JAK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolones and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives "Pyridines; Heterocyclic Compounds, Fused-Ring" CC(C)(C)C1=NC2=C3C=CNC(=O)C3=C3C=C(F)C=CC3=C2N1 46505719 CHEMBL21156 DB04716 "2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one" BE0003493 JAK3 P52333 JAK3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolones and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives "Pyridines; Heterocyclic Compounds, Fused-Ring" CC(C)(C)C1=NC2=C3C=CNC(=O)C3=C3C=C(F)C=CC3=C2N1 46505719 CHEMBL21156 DB04716 "2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one" BE0004146 TYK2 P29597 TYK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolones and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives "Pyridines; Heterocyclic Compounds, Fused-Ring" CC(C)(C)C1=NC2=C3C=CNC(=O)C3=C3C=C(F)C=CC3=C2N1 46505719 CHEMBL21156 DB04716 "2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one" BE0002408 JAK2 O60674 JAK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolones and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives "Pyridines; Heterocyclic Compounds, Fused-Ring" CC(C)(C)C1=NC2=C3C=CNC(=O)C3=C3C=C(F)C=CC3=C2N1 46505719 CHEMBL21156 DB04719 "DIMETHYL-(4,5,6,7-TETRABROMO-1H-BENZOIMIDAZOL-2-YL)-AMINE" BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles CN(C)C1=NC2=C(Br)C(Br)=C(Br)C(Br)=C2N1 46505025 CHEMBL376505 DB04720 "S-METHYL-4,5,6,7-TETRABROMO-BENZIMIDAZOLE" BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles CSC1=NC2=C(N1)C(Br)=C(Br)C(Br)=C2Br 46505950 CHEMBL222476 DB04721 "N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE" BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles CN1CCN2C1=NC1=C(Br)C(Br)=C(Br)C(Br)=C21 46505860 DB04723 2-(3-GUANIDINOPHENYL)-3-MERCAPTOPROPANOIC ACID BE0003257 CPB1 P15086 CBPB1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives NC(N)=NC1=CC=CC(=C1)[C@@H](CS)C(O)=O 46505717 DB04724 "(S)-2-((S)-3-isobutyl-2,5-dioxo-4-quinolin-3-ylmethyl-[1,4]diazepan-1yl)-N-methyl-3-naphtalen-2-yl-propionamide" BE0000516 ITGAL P20701 ITAL_HUMAN Experimental Quinolines and derivatives Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives CNC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)N1CCC(=O)N(CC2=CC3=CC=CC=C3N=C2)[C@@H](CC(C)C)C1=O 46505747 CHEMBL446435 DB04738 Motuporin BE0001447 PPP1CC P36873 PP1G_HUMAN 16343532 "Maynes JT, Luu HA, Cherney MM, Andersen RJ, Williams D, Holmes CF, James MN: Crystal structures of protein phosphatase-1 bound to motuporin and dihydromicrocystin-LA: elucidation of the mechanism of enzyme inhibition by cyanobacterial toxins. J Mol Biol. 2006 Feb 10;356(1):111-20. Epub 2005 Nov 22." Experimental Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids, Peptides, and Proteins; Cytotoxins; Peptides" [H]N1[C@H](CCC(=O)N(C)\C(=C/C)C(=O)N([H])[C@H]([C@H](C)C(=O)N([H])[C@@H](C(C)C)C(=O)N([H])[C@@H](\C=C\C(\C)=C\[C@H](C)[C@H](CC2=CC=CC=C2)OC)[C@H](C)C1=O)C(O)=O)C(O)=O 46508386 CHEMBL430145 DB04739 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE BE0000838 SRC P12931 SRC_HUMAN Experimental Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C2)CC1 46508207 CHEMBL56904 DB04741 Myxothiazol BE0001005 UQCRC1 P31930 QCR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,4-disubstituted thiazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles "Electron Transport Complex III, antagonists & inhibitors; Anti-Infective Agents; Acrylates; Antifungal Agents; Enzyme Inhibitors; Sulfur Compounds; Acids, Acyclic" CO[C@@H](\C=C\C1=CSC(=N1)C1=CSC(=N1)[C@@H](C)\C=C\C=C\C(C)C)[C@@H](C)C(\OC)=C/C(N)=O 46507900 Myxothiazol CHEMBL454568 DB04751 Purvalanol A BE0003958 CSNK1G3 Q9Y6M4 KC1G3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "CDC2 Protein Kinase, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring" [H][C@@](CO)(NC1=NC(NC2=CC=CC(Cl)=C2)=C2N=CN(C(C)C)C2=N1)C(C)C 46506488 DNC001165 CDK_inhibitor CHEMBL23327 DB04751 Purvalanol A BE0004274 RPS6KA1 Q15418 KS6A1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "CDC2 Protein Kinase, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring" [H][C@@](CO)(NC1=NC(NC2=CC=CC(Cl)=C2)=C2N=CN(C(C)C)C2=N1)C(C)C 46506488 DNC001165 CDK_inhibitor CHEMBL23327 DB04751 Purvalanol A BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "CDC2 Protein Kinase, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring" [H][C@@](CO)(NC1=NC(NC2=CC=CC(Cl)=C2)=C2N=CN(C(C)C)C2=N1)C(C)C 46506488 DNC001165 CDK_inhibitor CHEMBL23327 DB04753 "9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE" BE0000250 PNP P00491 PNPH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolopyrimidines Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines OC[C@H]1O[C@H]([C@@H]2O[C@H](CP(O)(O)=O)O[C@H]12)C1=CNC2=C1NC=NC2=O 46508981 DB04754 "GUANOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE" BE0000250 PNP P00491 PNPH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@H]2O[C@@H](CP(O)(O)=O)O[C@@H]12 46506626 DB04757 "GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE" BE0000250 PNP P00491 PNPH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@H]2O[C@@H](O[C@@H]12)P(O)(O)=O 46505178 DB04758 2-[2-ETHANESULFONYLAMINO-3-(1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIM IDOYL-BENZYLAMIDE) BE0000333 F7 P08709 FA7_HUMAN Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CCS(=O)(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC1=CC=C(C=C1)C(N)=N 46508470 DB04763 "1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM" BE0000322 CA2 P00918 CAH2_HUMAN Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides CC1=CC(C)=[N+](CCC2=CC=C(C=C2)S(N)(=O)=O)C(C)=C1 46504996 CHEMBL1184499 DB04767 N-[1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-3-METHYLSULFANYL-PROPYL]-3-HYDROXY-2-PROPOXYAMINO-BUTYRAMID BE0000333 F7 P08709 FA7_HUMAN Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)NCC1=CC=C(C=C1)C(N)=N 46505133 DB04768 Pyrithiamine Pyrophosphate BE0000157 TPK1 Q9H3S4 TPK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Organic pyrophosphates Organic compounds; Organic oxygen compounds; Organic oxoanionic compounds; Organic pyrophosphates CC1=NC=C(C[N+]2=CC=CC(CCO[P@](O)(=O)OP(O)(O)=O)=C2C)C(N)=N1 46507393 DB04769 "5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE" BE0001315 PIK3CG P48736 PK3CG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinoxalines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines O=C1NC(=O)\C(S1)=C\C1=CC2=C(C=C1)N=CC=N2 46508826 CHEMBL568150 DB04770 "O6-(R)-ROSCOVITINE, R-2-(6-BENZYLOXY-9-ISOPROPYL-9H-PURIN-2-YLAMINO)-BUTAN-1-OL" BE0000042 PDXK O00764 PDXK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives [H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(OCC2=CC=CC=C2)=N1 46508756 DB04776 (2R)-2-({6-[benzyl(methyl)amino]-9-isopropyl-9H-purin-2-yl}amino)butan-1-ol BE0000042 PDXK O00764 PDXK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-alkylaminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Heterocyclic Compounds, Fused-Ring" [H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(=N1)N(C)CC1=CC=CC=C1 46506238 CHEMBL1235702 DB04779 ETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE BE0004338 LCT P09848 LPH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives CCS\C(CC1=CC=CC=C1)=N/OS(O)(=O)=O 46504506 DB04786 Suramin BE0003362 SIRT5 Q9NXA8 SIR5_HUMAN inhibitor 17355872 "Schuetz A, Min J, Antoshenko T, Wang CL, Allali-Hassani A, Dong A, Loppnau P, Vedadi M, Bochkarev A, Sternglanz R, Plotnikov AN: Structural basis of inhibition of the human NAD+-dependent deacetylase SIRT5 by suramin. Structure. 2007 Mar;15(3):377-89." Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "Sulfur Acids; Anti-Infective Agents; Arylsulfonic Acids; Arylsulfonates; Antiparasitic Products, Insecticides and Repellents; Naphthalenes; Trypanocidal Agents; Antinematodal Agents; Antiprotozoals; Sulfur Compounds; Naphthalenesulfonates; Sulfonic Acids; Agents Against Leishmaniasis and Trypanosomiasis; Antiparasitic Agents; Antineoplastic Agents" CC1=C(NC(=O)C2=CC(NC(=O)NC3=CC=CC(=C3)C(=O)NC3=C(C)C=CC(=C3)C(=O)NC3=C4C(C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)=C(C=C3)S(O)(=O)=O)=CC=C2)C=C(C=C1)C(=O)NC1=C2C(C=C(C=C2S(O)(=O)=O)S(O)(=O)=O)=C(C=C1)S(O)(=O)=O 46507013 PA10292 DAP001031 Suramin CHEMBL265502 10256 DB04786 Suramin BE0000739 RYR1 P21817 RYR1_HUMAN agonist 16056233 "Wolner I, Kassack MU, Ullmann H, Karel A, Hohenegger M: Use-dependent inhibition of the skeletal muscle ryanodine receptor by the suramin analogue NF676. Br J Pharmacol. 2005 Oct;146(4):525-33." Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "Sulfur Acids; Anti-Infective Agents; Arylsulfonic Acids; Arylsulfonates; Antiparasitic Products, Insecticides and Repellents; Naphthalenes; Trypanocidal Agents; Antinematodal Agents; Antiprotozoals; Sulfur Compounds; Naphthalenesulfonates; Sulfonic Acids; Agents Against Leishmaniasis and Trypanosomiasis; Antiparasitic Agents; Antineoplastic Agents" CC1=C(NC(=O)C2=CC(NC(=O)NC3=CC=CC(=C3)C(=O)NC3=C(C)C=CC(=C3)C(=O)NC3=C4C(C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)=C(C=C3)S(O)(=O)=O)=CC=C2)C=C(C=C1)C(=O)NC1=C2C(C=C(C=C2S(O)(=O)=O)S(O)(=O)=O)=C(C=C1)S(O)(=O)=O 46507013 PA10292 DAP001031 Suramin CHEMBL265502 10256 DB04787 Tanaproget BE0000557 PGR P06401 PRGR_HUMAN agonist 10592235; 15937332 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Zhang Z, Olland AM, Zhu Y, Cohen J, Berrodin T, Chippari S, Appavu C, Li S, Wilhem J, Chopra R, Fensome A, Zhang P, Wrobel J, Unwalla RJ, Lyttle CR, Winneker RC: Molecular and pharmacological properties of a potent and selective novel nonsteroidal progesterone receptor agonist tanaproget. J Biol Chem. 2005 Aug 5;280(31):28468-75. Epub 2005 Jun 3." Investigational Benzoxazines Organic compounds; Organoheterocyclic compounds; Benzoxazines "Heterocyclic Compounds, Fused-Ring; Oxazines; Sulfur Compounds; Receptors, Progesterone, agonists" CN1C(=CC=C1C1=CC=C2NC(=S)OC(C)(C)C2=C1)C#N 46509047 DPR000116 Tanaproget CHEMBL539163 DB04795 Thenoyltrifluoroacetone BE0000176 SDHA P31040 SDHA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryl alkyl ketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Ketones; Chelating Agents; Thiophenes; Sequestering Agents; Sulfur Compounds; Butanones; Compounds used in a research, industrial, or household setting" FC(F)(F)C(=O)CC(=O)C1=CC=CS1 46504456 Thenoyltrifluoroacetone CHEMBL1236433 DB04796 Inecalcitol BE0000779 VDR P11473 VDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives "Cholestanes; Fused-Ring Compounds; Hydrocarbons, Acyclic; Sterols; Vitamins; Vitamins (Fat Soluble); Vitamin D and Analogues; Lipids; Cholestenes; Steroids; Membrane Lipids; Secosteroids" [H][C@@]1(CC[C@]2([H])\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)CC#CC(C)(C)O 46504586 CHEMBL2105107 DB04797 Triazolopyridine BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Phenyl-1,3-oxazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles CC(C)C1=NN=C2C=CC(=CN12)C1=C(N=CO1)C1=CC=C(F)C=C1 46506220 Triazolopyridine CHEMBL194322 DB04798 THIO-ATPA BE0000829 GRIA2 P42262 GRIA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Peptides, and Proteins; Sulfur Compounds" [H][C@]([NH3+])(CC1=C(SN=C1[O-])C(C)(C)C)C(O)=O 46508906 CHEMBL29024 DB04799 "6-Hydroxy-5-undecyl-4,7-benzothiazoledione" BE0001005 UQCRC1 P31930 QCR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryl ketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Sulfur Compounds CCCCCCCCCCCC1=C(O)C(=O)C2=C(N=CS2)C1=O 46507980 DB04799 "6-Hydroxy-5-undecyl-4,7-benzothiazoledione" BE0003855 UQCRC2 P22695 QCR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryl ketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Sulfur Compounds CCCCCCCCCCCC1=C(O)C(=O)C2=C(N=CS2)C1=O 46507980 DB04799 "6-Hydroxy-5-undecyl-4,7-benzothiazoledione" BE0003856 UQCRH P07919 QCR6_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryl ketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Sulfur Compounds CCCCCCCCCCCC1=C(O)C(=O)C2=C(N=CS2)C1=O 46507980 DB04799 "6-Hydroxy-5-undecyl-4,7-benzothiazoledione" BE0003858 UQCRFS1 P47985 UCRI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryl ketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Sulfur Compounds CCCCCCCCCCCC1=C(O)C(=O)C2=C(N=CS2)C1=O 46507980 DB04799 "6-Hydroxy-5-undecyl-4,7-benzothiazoledione" BE0003859 UQCR11 O14957 QCR10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryl ketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Sulfur Compounds CCCCCCCCCCCC1=C(O)C(=O)C2=C(N=CS2)C1=O 46507980 DB04800 1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID BE0000623 PTPN1 P18031 PTN1_HUMAN Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CN1N=C(C=C1NS(O)(=O)=O)C1=CC=CC=C1 46507993 DB04801 cis-Vaccenic acid BE0001007 PPARD Q03181 PPARD_HUMAN Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Fatty Acids, Monounsaturated; Lipids; Fatty Acids; Fatty Acids, Unsaturated" CCCCCC\C=C/CCCCCCCCCC(O)=O 46507844 CHEMBL1236642 DB04820 Nialamide BE0002089 COMT P21964 COMT_HUMAN 1170911 "Parvez S, Parvez SH, Youdim MB: Variation in activity of monoamine metabolizing enzymes in rat liver during pregnancy. Br J Pharmacol. 1975 Feb;53(2):241-6." Approved; Withdrawn Pyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives "Monoamine Oxidase Inhibitors, Non-Selective; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Enzyme Inhibitors; Isonicotinic Acids; Psychoanaleptics; Nervous System; Agents that produce hypertension; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Pyridines" O=C(CCNNC(=O)C1=CC=NC=C1)NCC1=CC=CC=C1 46506047 Nialamide CHEMBL1256841 7394 DB04824 Phenolphthalein BE0000123 ESR1 P03372 ESR1_HUMAN agonist 3620717 "Ravdin PM, van Beurden M, Jordan VC: Estrogenic effects of phenolphthalein on human breast cancer cells in vitro. Breast Cancer Res Treat. 1987;9(2):151-4." Approved; Withdrawn Benzofuranones Organic compounds; Organoheterocyclic compounds; Benzofurans; Benzofuranones "Indicators and Reagents; Contact Laxatives; Phenolphthaleins; Laxatives; Phenols; Laboratory Chemicals; Benzene Derivatives; Alimentary Tract and Metabolism; Drugs for Constipation; Compounds used in a research, industrial, or household setting" OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1 2622 46506108 D05456 PA450915 Phenolphthalein CHEMBL63857 155122 DB04824 Phenolphthalein BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Approved; Withdrawn Benzofuranones Organic compounds; Organoheterocyclic compounds; Benzofurans; Benzofuranones "Indicators and Reagents; Contact Laxatives; Phenolphthaleins; Laxatives; Phenols; Laboratory Chemicals; Benzene Derivatives; Alimentary Tract and Metabolism; Drugs for Constipation; Compounds used in a research, industrial, or household setting" OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1 2622 46506108 D05456 PA450915 Phenolphthalein CHEMBL63857 155122 DB04829 Lysergic acid diethylamide BE0000393 HTR2B P41595 5HT2B_HUMAN agonist 14659797 "Blanpain C, Le Poul E, Parma J, Knoop C, Detheux M, Parmentier M, Vassart G, Abramowicz MJ: Serotonin 5-HT(2B) receptor loss of function mutation in a patient with fenfluramine-associated primary pulmonary hypertension. Cardiovasc Res. 2003 Dec 1;60(3):518-28." Illicit; Investigational; Withdrawn Lysergic acids and derivatives Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Lysergic Acid; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Ergolines; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Hallucinogens; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents" [H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N(CC)CC 46506397 Lysergic_acid_diethylamide CHEMBL263881 DB04834 Rapacuronium BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 12657852 "Jooste E, Klafter F, Hirshman CA, Emala CW: A mechanism for rapacuronium-induced bronchospasm: M2 muscarinic receptor antagonism. Anesthesiology. 2003 Apr;98(4):906-11." Approved; Withdrawn Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters Fused-Ring Compounds; Anticholinergic Agents; Muscarinic Antagonists; Neuromuscular Agents; Central Nervous System Depressants; Neuromuscular-Blocking Agents (Nondepolarizing); Androstanols; Androstanes; Agents producing tachycardia; Steroids; Peripheral Nervous System Agents; Neuromuscular Blocking Agents [H][C@@]12C[C@@H]([C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(CC=C)CCCCC1 46506932 PA451227 Rapacuronium CHEMBL1201352 262100 DB04837 Clofedanol BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 17139284; 17016423; 11752352; 2905706 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Maurer H, Pfleger K: Identification and differentiation of alkylamine antihistamines and their metabolites in urine by computerized gas chromatography-mass spectrometry. J Chromatogr. 1988 Aug 19;430(1):31-41." Approved; Withdrawn Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Amino Alcohols; Antitussive Agents; Amines; Histamine Antagonists; Alcohols; Histamine H1 Antagonists; Cough and Cold Preparations; Propanols CN(C)CCC(O)(C1=CC=CC=C1)C1=CC=CC=C1Cl 9523 46505324 PA164748134 DAP001080 Clofedanol CHEMBL1201313 21254 DB04838 Cyclandelate BE0000691 CACNA2D1 P54289 CA2D1_HUMAN inhibitor 10659603 Pascual J: [New prospects in the treatment of migraine]. Neurologia. 1999 Dec;14 Suppl 6:26-35. Approved Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Antiarrhythmic agents; Peripheral Vasodilators; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Acids, Carbocyclic; Hydroxy Acids; Calcium Channel Blockers; Vasodilating Agents; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; Mandelic Acids" CC1CC(CC(C)(C)C1)OC(=O)C(O)C1=CC=CC=C1 5200 46505740 PA164748026 Cyclandelate CHEMBL1480987 2970 DB04839 Cyproterone acetate BE0000132 AR P10275 ANDR_HUMAN antagonist 17139284; 17016423; 19463689; 15579329; 15483189 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Agoulnik IU, Weigel NL: Coactivator selective regulation of androgen receptor activity. Steroids. 2009 Aug;74(8):669-74. doi: 10.1016/j.steroids.2009.02.007. Epub 2009 Mar 9.@@Cabeza M, Flores M, Bratoeff E, de la Pena A, Mendez E, Ceballos G: Intracellular Ca2+ stimulates the binding to androgen receptors in platelets. Steroids. 2004 Oct-Nov;69(11-12):767-72.@@Sonneveld E, Jansen HJ, Riteco JA, Brouwer A, van der Burg B: Development of androgen- and estrogen-responsive bioassays, members of a panel of human cell line-based highly selective steroid-responsive bioassays. Toxicol Sci. 2005 Jan;83(1):136-48. Epub 2004 Oct 13." Approved; Investigational "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Hormone Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Progestins; Contraceptive Agents, Male; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Steroids, Chlorinated; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Fused-Ring Compounds; Reproductive Control Agents; Antiandrogens; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Antiandrogens and Estrogens; Other Miscellaneous Therapeutic Agents; Contraceptive Agents, Female; Pregnadienes; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@]1([H])[C@@]1(C)C(=CC2=O)C(Cl)=C[C@@]2([H])[C@]3([H])CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@]12[H] 7572 46506931 D01368 PA10049 DAP000906 Cyproterone_acetate CHEMBL139835 22054 DB04841 Flunarizine BE0000864 CACNA1H O95180 CAC1H_HUMAN inhibitor 17139284; 17016423; 11752352; 19582593; 11784784 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Uebele VN, Nuss CE, Fox SV, Garson SL, Cristescu R, Doran SM, Kraus RL, Santarelli VP, Li Y, Barrow JC, Yang ZQ, Schlegel KA, Rittle KE, Reger TS, Bednar RA, Lemaire W, Mullen FA, Ballard JE, Tang C, Dai G, McManus OB, Koblan KS, Renger JJ: Positive allosteric interaction of structurally diverse T-type calcium channel antagonists. Cell Biochem Biophys. 2009;55(2):81-93. doi: 10.1007/s12013-009-9057-4. Epub 2009 Jul 7.@@Santi CM, Cayabyab FS, Sutton KG, McRory JE, Mezeyova J, Hamming KS, Parker D, Stea A, Snutch TP: Differential inhibition of T-type calcium channels by neuroleptics. J Neurosci. 2002 Jan 15;22(2):396-403." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Antimigraine Agents, Miscellaneous; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cardiovascular Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Piperazine Derivatives; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants" FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1 Flunarizine H1-Antihistamine Action drug_action 1252 46507129 D01303 PA164776636 DAP000142 Flunarizine CHEMBL30008 4459 DB04841 Flunarizine BE0000012 CACNA1I Q9P0X4 CAC1I_HUMAN inhibitor 17139284; 17016423; 19582593; 11784784 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Uebele VN, Nuss CE, Fox SV, Garson SL, Cristescu R, Doran SM, Kraus RL, Santarelli VP, Li Y, Barrow JC, Yang ZQ, Schlegel KA, Rittle KE, Reger TS, Bednar RA, Lemaire W, Mullen FA, Ballard JE, Tang C, Dai G, McManus OB, Koblan KS, Renger JJ: Positive allosteric interaction of structurally diverse T-type calcium channel antagonists. Cell Biochem Biophys. 2009;55(2):81-93. doi: 10.1007/s12013-009-9057-4. Epub 2009 Jul 7.@@Santi CM, Cayabyab FS, Sutton KG, McRory JE, Mezeyova J, Hamming KS, Parker D, Stea A, Snutch TP: Differential inhibition of T-type calcium channels by neuroleptics. J Neurosci. 2002 Jan 15;22(2):396-403." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Antimigraine Agents, Miscellaneous; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cardiovascular Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Piperazine Derivatives; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants" FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1 Flunarizine H1-Antihistamine Action drug_action 1252 46507129 D01303 PA164776636 DAP000142 Flunarizine CHEMBL30008 4459 DB04841 Flunarizine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 17139284; 17016423; 20493137 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Taylor JE, Defeudis FV: Interactions of verapamil, D 600, flunarizine and nifedipine with cerebral histamine-receptors. Neurochem Int. 1986;9(3):379-81." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Antimigraine Agents, Miscellaneous; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cardiovascular Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Piperazine Derivatives; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants" FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1 Flunarizine H1-Antihistamine Action drug_action 1252 46507129 D01303 PA164776636 DAP000142 Flunarizine CHEMBL30008 4459 DB04842 Fluspirilene BE0000679 CACNG1 Q06432 CCG1_HUMAN inhibitor 1696149; 11842444 "Kenny BA, Fraser S, Kilpatrick AT, Spedding M: Selective antagonism of calcium channel activators by fluspirilene. Br J Pharmacol. 1990 Jun;100(2):211-6.@@Wang SJ: Inhibition of glutamate release by fluspirilene in cerebrocortical nerve terminals (synaptosomes). Synapse. 2002 Apr;44(1):36-41." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Serotonin 5-HT2A Receptor Antagonists; Diphenylbutylpiperidine Derivatives; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Calcium Channel Blockers; Imidazoles; Dopamine Antagonists; Spiro Compounds; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Antiarrhythmic agents; Piperidines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Dopamine Agents FC1=CC=C(C=C1)C(CCCN1CCC2(CC1)N(CNC2=O)C1=CC=CC=C1)C1=CC=C(F)C=C1 2260 46508202 D02629 PA162565878 DAP000980 Fluspirilene CHEMBL46516 4507 DB04843 Mepenzolate BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 7623487; 2791613; 7122991 "Tsai CS, Guede-Guina F, Smith MO, Vangah-Manda M, Ochillo RF: Isolation of cholinergic active ingredients in aqueous extracts of Mareya micrantha using the longitudinal muscle of isolated guinea-pig ileum as a pharmacological activity marker. J Ethnopharmacol. 1995 Mar;45(3):215-22.@@Tsai CS, Ochillo RF: Low temperature and muscarinic receptor activities. Cryobiology. 1989 Oct;26(5):485-95.@@Ochillo RF, Pugh DA: Atropine and mepenzolate mydriasis in rabbits: a comparative pupillographic analysis of two antimuscarinic agents. Res Commun Chem Pathol Pharmacol. 1982 Jun;36(3):503-6." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Anticholinergic Agents; Muscarinic Antagonists; Diphenylacetic Acids; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Phenylacetates; Drugs for Functional Gastrointestinal Disorders; Hydroxy Acids; Acids, Carbocyclic; Agents producing tachycardia; Alimentary Tract and Metabolism" C[N+]1(C)CCCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 46508905 PA164746250 DAP001115 Mepenzolate CHEMBL524004 107770 DB04846 Celiprolol BE0001012 ADRB3 P13945 ADRB3_HUMAN agonist 28742547 "Nawarskas JJ, Cheng-Lai A, Frishman WH: Celiprolol: A Unique Selective Adrenoceptor Modulator. Cardiol Rev. 2017 Sep/Oct;25(5):247-253. doi: 10.1097/CRD.0000000000000159." Approved; Investigational Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Adrenergic beta-Agonists; QTc Prolonging Agents; Amines; Antihypertensive Agents; Amides; Phenoxypropanolamines; Benzene Derivatives; Autonomic Agents; Amino Alcohols; Adrenergic beta-1 Receptor Antagonists; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Alcohols; Beta-Blockers (Beta1 Selective); Phenylurea Compounds; Potential QTc-Prolonging Agents; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Vasodilating Agents; Sympathomimetics; Propanols; Peripheral Nervous System Agents; Antiarrhythmic agents; Beta Blocking Agents, Selective; Propanolamines; Adrenergic beta-Antagonists; Adrenergic beta-3 Receptor Agonists; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Bradycardia-Causing Agents; Adrenergic Agents" CCN(CC)C(=O)NC1=CC=C(OCC(O)CNC(C)(C)C)C(=C1)C(C)=O 310264853 D07660 Celiprolol CHEMBL27810 20498 DB04847 Roxadustat BE0002217 EGLN1 Q9GZT9 EGLN1_HUMAN inhibitor 30805897 Dhillon S: Roxadustat: First Global Approval. Drugs. 2019 Apr;79(5):563-572. doi: 10.1007/s40265-019-01077-1. Approved; Investigational N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "OATP1B1/SLCO1B1 Inhibitors; Amino Acids; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Antianemic Preparations; Cytochrome P-450 Substrates; OAT3/SLC22A8 Substrates; Blood and Blood Forming Organs; UGT1A9 Substrates; OAT1/SLC22A6 Substrates; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates" CC1=NC(C(=O)NCC(O)=O)=C(O)C2=C1C=C(OC1=CC=CC=C1)C=C2 347827699 D10593 Roxadustat CHEMBL2338329 DB04847 Roxadustat BE0002211 EGLN2 Q96KS0 EGLN2_HUMAN inhibitor 30805897 Dhillon S: Roxadustat: First Global Approval. Drugs. 2019 Apr;79(5):563-572. doi: 10.1007/s40265-019-01077-1. Approved; Investigational N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "OATP1B1/SLCO1B1 Inhibitors; Amino Acids; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Antianemic Preparations; Cytochrome P-450 Substrates; OAT3/SLC22A8 Substrates; Blood and Blood Forming Organs; UGT1A9 Substrates; OAT1/SLC22A6 Substrates; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates" CC1=NC(C(=O)NCC(O)=O)=C(O)C2=C1C=C(OC1=CC=CC=C1)C=C2 347827699 D10593 Roxadustat CHEMBL2338329 DB04847 Roxadustat BE0002219 EGLN3 Q9H6Z9 EGLN3_HUMAN inhibitor 30805897 Dhillon S: Roxadustat: First Global Approval. Drugs. 2019 Apr;79(5):563-572. doi: 10.1007/s40265-019-01077-1. Approved; Investigational N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "OATP1B1/SLCO1B1 Inhibitors; Amino Acids; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Antianemic Preparations; Cytochrome P-450 Substrates; OAT3/SLC22A8 Substrates; Blood and Blood Forming Organs; UGT1A9 Substrates; OAT1/SLC22A6 Substrates; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates" CC1=NC(C(=O)NCC(O)=O)=C(O)C2=C1C=C(OC1=CC=CC=C1)C=C2 347827699 D10593 Roxadustat CHEMBL2338329 DB04851 Biricodar BE0002369 ABCB5 Q2M3G0 ABCB5_HUMAN 15014037 "Minderman H, O'Loughlin KL, Pendyala L, Baer MR: VX-710 (biricodar) increases drug retention and enhances chemosensitivity in resistant cells overexpressing P-glycoprotein, multidrug resistance protein, and breast cancer resistance protein. Clin Cancer Res. 2004 Mar 1;10(5):1826-34." Investigational P-glycoprotein inhibitors COC1=CC(=CC(OC)=C1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCC1=CN=CC=C1)CCCC1=CN=CC=C1 175426862 D03128 PA164924560 Biricodar CHEMBL350775 DB04851 Biricodar BE0000785 ABCC1 P33527 MRP1_HUMAN 15014037 "Minderman H, O'Loughlin KL, Pendyala L, Baer MR: VX-710 (biricodar) increases drug retention and enhances chemosensitivity in resistant cells overexpressing P-glycoprotein, multidrug resistance protein, and breast cancer resistance protein. Clin Cancer Res. 2004 Mar 1;10(5):1826-34." Investigational P-glycoprotein inhibitors COC1=CC(=CC(OC)=C1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCC1=CN=CC=C1)CCCC1=CN=CC=C1 175426862 D03128 PA164924560 Biricodar CHEMBL350775 DB04851 Biricodar BE0001067 ABCG2 Q9UNQ0 ABCG2_HUMAN 15014037 "Minderman H, O'Loughlin KL, Pendyala L, Baer MR: VX-710 (biricodar) increases drug retention and enhances chemosensitivity in resistant cells overexpressing P-glycoprotein, multidrug resistance protein, and breast cancer resistance protein. Clin Cancer Res. 2004 Mar 1;10(5):1826-34." Investigational P-glycoprotein inhibitors COC1=CC(=CC(OC)=C1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCC1=CN=CC=C1)CCCC1=CN=CC=C1 175426862 D03128 PA164924560 Biricodar CHEMBL350775 DB04852 Implitapide BE0000232 MTTP P55157 MTP_HUMAN 15684478 "Ueshima K, Akihisa-Umeno H, Nagayoshi A, Takakura S, Matsuo M, Mutoh S: Implitapide, a microsomal triglyceride transfer protein inhibitor, reduces progression of atherosclerosis in apolipoprotein E knockout mice fed a Western-type diet: involvement of the inhibition of postprandial triglyceride elevation. Biol Pharm Bull. 2005 Feb;28(2):247-52." Investigational Alpha carbolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyridoindoles "Heterocyclic Compounds, Fused-Ring" CC1=NC2=C(C3=CC=CC=C3N2CC2=CC(=CC=C2)[C@H](C2CCCC2)C(=O)N[C@@H](CO)C2=CC=CC=C2)C(C)=C1 175426863 CHEMBL2105804 DB04853 Binodenoson BE0000924 ADORA2A P29274 AA2AR_HUMAN 17531571; 16524538 "Hodgson JM, Dib N, Kern MJ, Bach RG, Barrett RJ: Coronary circulation responses to binodenoson, a selective adenosine A2A receptor agonist. Am J Cardiol. 2007 Jun 1;99(11):1507-12. Epub 2007 Apr 16.@@Cerqueira MD: Advances in pharmacologic agents in imaging: new A2A receptor agonists. Curr Cardiol Rep. 2006 Mar;8(2):119-22." Investigational Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" "Purinergic Agonists; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Neurotransmitter Agents; Nucleic Acids, Nucleotides, and Nucleosides; Purinergic Agents; Purinergic P1 Receptor Agonists" OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=C(N\N=C\C3CCCCC3)N=C12 175426864 D03120 CHEMBL1950554 DB04854 Febuxostat BE0002204 XDH P47989 XDH_HUMAN inhibitor 23286293; 25501928; 16958189; 19337428 "Saban-Ruiz J, Alonso-Pacho A, Fabregate-Fuente M, de la Puerta Gonzalez-Quevedo C: Xanthine oxidase inhibitor febuxostat as a novel agent postulated to act against vascular inflammation. Antiinflamm Antiallergy Agents Med Chem. 2013;12(1):94-9.@@Nishino T, Okamoto K: Mechanistic insights into xanthine oxidoreductase from development studies of candidate drugs to treat hyperuricemia and gout. J Biol Inorg Chem. 2015 Mar;20(2):195-207. doi: 10.1007/s00775-014-1210-x. Epub 2014 Dec 12.@@Pohar S, Murphy G: Febuxostat for prevention of gout attacks. Issues Emerg Health Technol. 2006 Aug;(87):1-4.@@Hu M, Tomlinson B: Febuxostat in the management of hyperuricemia and chronic gout: a review. Ther Clin Risk Manag. 2008 Dec;4(6):1209-20. doi: 10.2147/tcrm.s3310." Approved Thiazolecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles UGT2B7 substrates; Cytochrome P-450 CYP2C8 Substrates; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Xanthine Oxidase Inhibitors; Photosensitizing Agents; Musculo-Skeletal System; UGT1A3 substrates; Drugs causing inadvertant photosensitivity; Antigout Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Preparations Inhibiting Uric Acid Production; UGT1A1 Substrates; Sulfur Compounds; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates CC(C)COC1=C(C=C(C=C1)C1=NC(C)=C(S1)C(O)=O)C#N 13271 310264854 D01206 PA165958521 Febuxostat CHEMBL1164729 73689 DB04855 Dronedarone BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 17389667; 23997577 "Dale KM, White CM: Dronedarone: an amiodarone analog for the treatment of atrial fibrillation and atrial flutter. Ann Pharmacother. 2007 Apr;41(4):599-605. Epub 2007 Mar 27.@@Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013." Approved Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III" CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2 20511 175426865 D02537 PA153619853 Dronedarone CHEMBL184412 233698 DB04855 Dronedarone BE0000430 CACNA1C Q13936 CAC1C_HUMAN inhibitor 23997577 "Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013." Approved Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III" CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2 20511 175426865 D02537 PA153619853 Dronedarone CHEMBL184412 233698 DB04855 Dronedarone BE0002359 CACNA1D Q01668 CAC1D_HUMAN inhibitor 23997577 "Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013." Approved Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III" CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2 20511 175426865 D02537 PA153619853 Dronedarone CHEMBL184412 233698 DB04855 Dronedarone BE0002355 CACNA1S Q13698 CAC1S_HUMAN inhibitor 23997577 "Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013." Approved Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III" CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2 20511 175426865 D02537 PA153619853 Dronedarone CHEMBL184412 233698 DB04855 Dronedarone BE0002354 CACNB2 Q08289 CACB2_HUMAN inhibitor 23997577 "Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013." Approved Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III" CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2 20511 175426865 D02537 PA153619853 Dronedarone CHEMBL184412 233698 DB04855 Dronedarone BE0002356 CACNB4 O00305 CACB4_HUMAN inhibitor 23997577 "Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013." Approved Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III" CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2 20511 175426865 D02537 PA153619853 Dronedarone CHEMBL184412 233698 DB04855 Dronedarone BE0000210 KCNK2 O95069 KCNK2_HUMAN inhibitor 22790794; 23997577 "Schmidt C, Wiedmann F, Schweizer PA, Becker R, Katus HA, Thomas D: Novel electrophysiological properties of dronedarone: inhibition of human cardiac two-pore-domain potassium (K2P) channels. Naunyn Schmiedebergs Arch Pharmacol. 2012 Oct;385(10):1003-16. doi: 10.1007/s00210-012-0780-9. Epub 2012 Jul 13.@@Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013." Approved Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III" CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2 20511 175426865 D02537 PA153619853 Dronedarone CHEMBL184412 233698 DB04855 Dronedarone BE0001028 KCNJ3 P48549 KCNJ3_HUMAN inhibitor 23997577 "Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013." Approved Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III" CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2 20511 175426865 D02537 PA153619853 Dronedarone CHEMBL184412 233698 DB04855 Dronedarone BE0000672 KCNQ1 P51787 KCNQ1_HUMAN inhibitor 23997577 "Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013." Approved Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III" CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2 20511 175426865 D02537 PA153619853 Dronedarone CHEMBL184412 233698 DB04855 Dronedarone BE0009631 KCNJ12 P48050 KCNJ4_HUMAN inhibitor 23997577 "Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013." Approved Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III" CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2 20511 175426865 D02537 PA153619853 Dronedarone CHEMBL184412 233698 DB04855 Dronedarone BE0000986 SLC8A1 P32418 NAC1_HUMAN inhibitor 23997577 "Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013." Approved Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III" CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2 20511 175426865 D02537 PA153619853 Dronedarone CHEMBL184412 233698 DB04855 Dronedarone BE0003604 KCND3 Q9UK17 KCND3_HUMAN inhibitor 23997577 "Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013." Approved Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III" CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2 20511 175426865 D02537 PA153619853 Dronedarone CHEMBL184412 233698 DB04855 Dronedarone BE0000687 THRA P10827 THA_HUMAN inhibitor 12538616 "Van Beeren HC, Jong WM, Kaptein E, Visser TJ, Bakker O, Wiersinga WM: Dronerarone acts as a selective inhibitor of 3,5,3'-triiodothyronine binding to thyroid hormone receptor-alpha1: in vitro and in vivo evidence. Endocrinology. 2003 Feb;144(2):552-8. doi: 10.1210/en.2002-220604." Approved Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III" CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2 20511 175426865 D02537 PA153619853 Dronedarone CHEMBL184412 233698 DB04861 Nebivolol BE0001012 ADRB3 P13945 ADRB3_HUMAN agonist 16961165; 26177892; 1968323; 2455841; 28509722 "Gielen W, Cleophas TJ, Agrawal R: Nebivolol: a review of its clinical and pharmacological characteristics. Int J Clin Pharmacol Ther. 2006 Aug;44(8):344-57.@@Fongemie J, Felix-Getzik E: A Review of Nebivolol Pharmacology and Clinical Evidence. Drugs. 2015 Aug;75(12):1349-71. doi: 10.1007/s40265-015-0435-5.@@De Cree J, Cobo C, Geukens H, Verhaegen H: Comparison of the subacute hemodynamic effects of atenolol, propranolol, pindolol, and nebivolol. Angiology. 1990 Feb;41(2):95-105. doi: 10.1177/000331979004100202.@@Van de Water A, Janssens W, Van Neuten J, Xhonneux R, De Cree J, Verhaegen H, Reneman RS, Janssen PA: Pharmacological and hemodynamic profile of nebivolol, a chemically novel, potent, and selective beta 1-adrenergic antagonist. J Cardiovasc Pharmacol. 1988 May;11(5):552-63. doi: 10.1097/00005344-198805000-00007.@@Giles TD, Cockcroft JR, Pitt B, Jakate A, Wright HM: Rationale for nebivolol/valsartan combination for hypertension: review of preclinical and clinical data. J Hypertens. 2017 Sep;35(9):1758-1767. doi: 10.1097/HJH.0000000000001412." Approved; Investigational 1-benzopyrans Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans "Adrenergic beta-Agonists; Beta Blocking Agents, Selective, and Thiazides; Benzopyrans; Amines; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Pyrans; Hypotensive Agents; Amino Alcohols; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Alcohols; Beta-Blockers (Beta1 Selective); Beta Blocking Agents and Thiazides; Cytochrome P-450 CYP2C19 Substrates; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Beta Blocking Agents, Selective; Adrenergic beta-Antagonists; Neurotransmitter Agents; Bradycardia-Causing Agents; Ethanolamines; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents" OC(CNCC(O)C1CCC2=C(O1)C=CC(F)=C2)C1CCC2=C(O1)C=CC(F)=C2 Nebivolol Action Pathway drug_action 21534 99443225 D05127 PA151958426 DAP000942 Nebivolol CHEMBL434394 31555 DB04866 Halofuginone BE0000642 MMP2 P08253 MMP2_HUMAN 11099465 "Elkin M, Miao HQ, Nagler A, Aingorn E, Reich R, Hemo I, Dou HL, Pines M, Vlodavsky I: Halofuginone: a potent inhibitor of critical steps in angiogenesis progression. FASEB J. 2000 Dec;14(15):2477-85." Investigational; Vet_approved Quinazolines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Growth Inhibitors; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Angiogenesis Modulating Agents; Growth Substances; Protein Synthesis Inhibitors; Angiogenesis Inhibitors; Coccidiostats; Antiprotozoals; Quinazolines; Antiparasitic Agents; Antineoplastic Agents" [H][C@]1(O)CCCN[C@]1([H])CC(=O)CN1C=NC2=C(C=C(Cl)C(Br)=C2)C1=O 1917 175426875 D04413 Halofuginone CHEMBL1199540 DB04868 Nilotinib BE0000014 ABL1 P00519 ABL1_HUMAN inhibitor 17929114; 17715389; 16721371; 19920925; 19822896 "Maekawa T, Ashihara E, Kimura S: The Bcr-Abl tyrosine kinase inhibitor imatinib and promising new agents against Philadelphia chromosome-positive leukemias. Int J Clin Oncol. 2007 Oct;12(5):327-40. Epub 2007 Oct 22.@@Kantarjian HM, Giles F, Gattermann N, Bhalla K, Alimena G, Palandri F, Ossenkoppele GJ, Nicolini FE, O'Brien SG, Litzow M, Bhatia R, Cervantes F, Haque A, Shou Y, Resta DJ, Weitzman A, Hochhaus A, le Coutre P: Nilotinib (formerly AMN107), a highly selective BCR-ABL tyrosine kinase inhibitor, is effective in patients with Philadelphia chromosome-positive chronic myelogenous leukemia in chronic phase following imatinib resistance and intolerance. Blood. 2007 Nov 15;110(10):3540-6. Epub 2007 Aug 22.@@Weisberg E, Manley P, Mestan J, Cowan-Jacob S, Ray A, Griffin JD: AMN107 (nilotinib): a novel and selective inhibitor of BCR-ABL. Br J Cancer. 2006 Jun 19;94(12):1765-9. Epub 2006 May 23.@@Swords R, Mahalingam D, Padmanabhan S, Carew J, Giles F: Nilotinib: optimal therapy for patients with chronic myeloid leukemia and resistance or intolerance to imatinib. Drug Des Devel Ther. 2009 Sep 21;3:89-101.@@Rosti G, Palandri F, Castagnetti F, Breccia M, Levato L, Gugliotta G, Capucci A, Cedrone M, Fava C, Intermesoli T, Cambrin GR, Stagno F, Tiribelli M, Amabile M, Luatti S, Poerio A, Soverini S, Testoni N, Martinelli G, Alimena G, Pane F, Saglio G, Baccarani M: Nilotinib for the frontline treatment of Ph(+) chronic myeloid leukemia. Blood. 2009 Dec 3;114(24):4933-8. doi: 10.1182/blood-2009-07-232595. Epub 2009 Oct 12." Approved; Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Narrow Therapeutic Index Drugs CC1=CN(C=N1)C1=CC(NC(=O)C2=CC=C(C)C(NC3=NC=CC(=N3)C3=CN=CC=C3)=C2)=CC(=C1)C(F)(F)F Nilotinib Inhibition of BCR-ABL drug_action 20378 99443226 D08953 PA165958345 Nilotinib CHEMBL255863 662281 DB04868 Nilotinib BE0000453 KIT P10721 KIT_HUMAN antagonist 17699867 "Guo T, Agaram NP, Wong GC, Hom G, D'Adamo D, Maki RG, Schwartz GK, Veach D, Clarkson BD, Singer S, DeMatteo RP, Besmer P, Antonescu CR: Sorafenib inhibits the imatinib-resistant KITT670I gatekeeper mutation in gastrointestinal stromal tumor. Clin Cancer Res. 2007 Aug 15;13(16):4874-81." Approved; Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Narrow Therapeutic Index Drugs CC1=CN(C=N1)C1=CC(NC(=O)C2=CC=C(C)C(NC3=NC=CC(=N3)C3=CN=CC=C3)=C2)=CC(=C1)C(F)(F)F Nilotinib Inhibition of BCR-ABL drug_action 20378 99443226 D08953 PA165958345 Nilotinib CHEMBL255863 662281 DB04869 Olcegepant BE0009009 CALCRL Q16602 CALRL_HUMAN antagonist 28165287; 34015169 "Walker CS, Raddant AC, Woolley MJ, Russo AF, Hay DL: CGRP receptor antagonist activity of olcegepant depends on the signalling pathway measured. Cephalalgia. 2017 Jan 1:333102417691762. doi: 10.1177/0333102417691762.@@Liu J, Liu L, Zhao M, Ding N, Ge N, Daugherty SL, Beckel JM, Wang S, Zhang X: Activation of TRPM8 channel inhibits contraction of the isolated human ureter. Neurourol Urodyn. 2021 Aug;40(6):1450-1459. doi: 10.1002/nau.24689. Epub 2021 May 20." Investigational Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Sensory System Agents; Calcitonin Gene-Related Peptide Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Oligopeptides; Amino Acids, Peptides, and Proteins; Peptides; Receptors, Calcitonin Gene-Related Peptide, antagonists & inhibitors; Peripheral Nervous System Agents; Analgesics" NCCCC[C@H](NC(=O)[C@@H](CC1=CC(Br)=C(O)C(Br)=C1)NC(=O)N1CCC(CC1)N1CC2=C(NC1=O)C=CC=C2)C(=O)N1CCN(CC1)C1=CC=NC=C1 175426877 Olcegepant CHEMBL207197 DB04871 Lorcaserin BE0000533 HTR2C P28335 5HT2C_HUMAN 16625817; 16259227 Halford JC: Obesity drugs in clinical development. Curr Opin Investig Drugs. 2006 Apr;7(4):312-8.@@Jandacek RJ: APD-356 (Arena). Curr Opin Investig Drugs. 2005 Oct;6(10):1051-6. Approved; Withdrawn Benzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Centrally Acting Antiobesity Products; Serotonin 5-HT2C Receptor Agonists; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Serotonin 5-HT2 Receptor Agonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Antiobesity Preparations, Excl. Diet Products; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Serotonin 2c Receptor Agonists; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP1A2 Substrates" C[C@H]1CNCCC2=CC=C(Cl)C=C12 310264855 D06613 Lorcaserin CHEMBL360328 1300701 DB04872 Osanetant BE0002371 TACR3 P29371 NK3R_HUMAN 17172464 "Tian G, Wilkins D, Scott CW: Neurokinin-3 receptor-specific antagonists talnetant and osanetant show distinct mode of action in cellular Ca2+ mobilization but display similar binding kinetics and identical mechanism of binding in ligand cross-competition. Mol Pharmacol. 2007 Mar;71(3):902-11. Epub 2006 Dec 15." Investigational 1-benzoylpiperidines Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives Antipsychotic Agents; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Tranquilizing Agents; Neurotoxic agents CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)C1=CC=CC=C1 175426879 Osanetant CHEMBL346178 DB04873 Piboserod BE0000084 HTR4 Q13639 5HT4R_HUMAN 15902472; 16495076 "Darblade B, Behr-Roussel D, Gorny D, Lebret T, Benoit G, Hieble JP, Brooks D, Alexandre L, Giuliano F: Piboserod (SB 207266), a selective 5-HT4 receptor antagonist, reduces serotonin potentiation of neurally-mediated contractile responses of human detrusor muscle. World J Urol. 2005 Jun;23(2):147-51. Epub 2005 May 18.@@McCullough JL, Armstrong SR, Hegde SS, Beattie DT: The 5-HT2B antagonist and 5-HT4 agonist activities of tegaserod in the anaesthetized rat. Pharmacol Res. 2006 Apr;53(4):353-8. Epub 2006 Feb 21." Investigational Indolecarboxamides and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives "Heterocyclic Compounds, Fused-Ring" CCCCN1CCC(CNC(=O)C2=C3OCCCN3C3=CC=CC=C23)CC1 175426880 Piboserod CHEMBL356359 DB04877 Voacamine BE0001032 ABCB1 P08183 MDR1_HUMAN inhibitor 16273216; 14612920 "Meschini S, Marra M, Condello M, Calcabrini A, Federici E, Dupuis ML, Cianfriglia M, Arancia G: Voacamine, an alkaloid extracted from Peschiera fuchsiaefolia, inhibits P-glycoprotein action in multidrug-resistant tumor cells. Int J Oncol. 2005 Dec;27(6):1597-603.@@Meschini S, Marra M, Calcabrini A, Federici E, Galeffi C, Arancia G: Voacamine, a bisindolic alkaloid from Peschiera fuchsiaefolia, enhances the cytotoxic effect of doxorubicin on multidrug-resistant tumor cells. Int J Oncol. 2003 Dec;23(6):1505-13." Experimental Ibogan-type alkaloids Organic compounds; Alkaloids and derivatives; Ibogan-type alkaloids "P-glycoprotein inhibitors; Secologanin Tryptamine Alkaloids; Heterocyclic Compounds, Fused-Ring; Indolizidines; Indole Alkaloids; Alkaloids; Indolizines; Indoles" [H][C@@]12C[C@H](CC)[C@]3([H])N(C1)CCC1=C(NC4=CC(=C(OC)C=C14)[C@@]1([H])C[C@]4([H])C(C(=O)OC)[C@@]([H])(CC5=C1NC1=CC=CC=C51)N(C)C\C4=C\C)[C@@]3(C2)C(=O)OC 99443228 PA165958347 Voacamine CHEMBL445022 DB04878 Voglibose BE0000837 MGAM O43451 MGA_HUMAN inhibitor 16713439; 11752352; 19568704; 20025554; 20351564; 19281809 "Satoh N, Shimatsu A, Yamada K, Aizawa-Abe M, Suganami T, Kuzuya H, Ogawa Y: An alpha-glucosidase inhibitor, voglibose, reduces oxidative stress markers and soluble intercellular adhesion molecule 1 in obese type 2 diabetic patients. Metabolism. 2006 Jun;55(6):786-93.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Matsumura M, Monden T, Miyashita Y, Kawagoe Y, Shimizu H, Nakatani Y, Domeki N, Yanagi K, Ikeda S, Kasai K: Effects of changeover from voglibose to acarbose on postprandial triglycerides in type 2 diabetes mellitus patients. Adv Ther. 2009 Jun;26(6):660-6. doi: 10.1007/s12325-009-0040-7. Epub 2009 Jun 30.@@Abe M, Okada K, Maruyama T, Maruyama N, Matsumoto K: Combination therapy with mitiglinide and voglibose improves glycemic control in type 2 diabetic patients on hemodialysis. Expert Opin Pharmacother. 2010 Feb;11(2):169-76. doi: 10.1517/14656560903530683.@@Iwasa M, Kobayashi H, Yasuda S, Kawamura I, Sumi S, Yamada Y, Shiraki T, Yamaki T, Ushikoshi H, Aoyama T, Nishigaki K, Takemura G, Fujiwara T, Fujiwara H, Minatoguchi S: Antidiabetic drug voglibose is protective against ischemia-reperfusion injury through glucagon-like peptide 1 receptors and the phosphoinositide 3-kinase-Akt-endothelial nitric oxide synthase pathway in rabbits. J Cardiovasc Pharmacol. 2010 Jun;55(6):625-34. doi: 10.1097/FJC.0b013e3181dcd240.@@Fujimori Y, Katsuno K, Ojima K, Nakashima I, Nakano S, Ishikawa-Takemura Y, Kusama H, Isaji M: Sergliflozin etabonate, a selective SGLT2 inhibitor, improves glycemic control in streptozotocin-induced diabetic rats and Zucker fatty rats. Eur J Pharmacol. 2009 May 1;609(1-3):148-54. doi: 10.1016/j.ejphar.2009.03.007. Epub 2009 Mar 10." Investigational Aminocyclitols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols Drugs Used in Diabetes; Sugar Alcohols; Glycoside Hydrolase Inhibitors; Fatty Alcohols; Cycloparaffins; Oral Hypoglycemics; Enzyme Inhibitors; Hexanols; Carbohydrates; Lipids; Alcohols; Cyclohexanes; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O 46504462 D01665 PA164752433 DAP001104 Voglibose CHEMBL476960 DB04879 Vatalanib BE0000029 FLT1 P17948 VGFR1_HUMAN 17584317 "Yamamoto A, Watanabe H, Sueki H, Nakanishi T, Yasuhara H, Iijima M: Vascular endothelial growth factor receptor tyrosine kinase inhibitor PTK787/ZK 222584 inhibits both the induction and elicitation phases of contact hypersensitivity. J Dermatol. 2007 Jul;34(7):419-29." Investigational Phthalazines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines Pyridazines; Enzyme Inhibitors; Tyrosine Kinase Inhibitors; Protein Kinase Inhibitors ClC1=CC=C(NC2=NN=C(CC3=CC=NC=C3)C3=CC=CC=C23)C=C1 Vatalanib Action Pathway drug_action 175426883 PA7001 Vatalanib CHEMBL101253 DB04880 Enoximone BE0000436 PDE3A Q14432 PDE3A_HUMAN inhibitor 17714066; 16987374 "Boldt J, Suttner S: Combined use of ultra-short acting beta-blocker esmolol and intravenous phosphodiesterase 3 inhibitor enoximone. Expert Opin Pharmacother. 2007 Sep;8(13):2135-47.@@Sandroni C, Cavallaro F, Caricato A, Scapigliati A, Fenici P, Antonelli M: Enoximone in cardiac arrest caused by propranolol: two case reports. Acta Anaesthesiol Scand. 2006 Jul;50(6):759-61." Approved; Investigational Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Phosphodiesterase 3 Inhibitors; Cardiac Therapy; Enzyme Inhibitors; Vasodilating Agents; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Imidazoles; Compounds used in a research, industrial, or household setting; Protective Agents; Phosphodiesterase Inhibitors; Cardiotonic Agents" CSC1=CC=C(C=C1)C(=O)C1=C(C)NC(=O)N1 46505575 D04004 PA164768794 DAP000611 Enoximone CHEMBL249856 49626 DB04881 Elacridar BE0001032 ABCB1 P08183 MDR1_HUMAN 17932689 "Hubensack M, Muller C, Hocherl P, Fellner S, Spruss T, Bernhardt G, Buschauer A: Effect of the ABCB1 modulators elacridar and tariquidar on the distribution of paclitaxel in nude mice. J Cancer Res Clin Oncol. 2008 May;134(5):597-607. Epub 2007 Oct 12." Investigational Acridones Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines "P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Benzocycloheptenes; Isoquinolines; Drug Resistance, Multiple" COC1=CC=CC2=C1NC1=C(C=CC=C1C(=O)NC1=CC=C(CCN3CCC4=CC(OC)=C(OC)C=C4C3)C=C1)C2=O 175426884 D03968 CHEMBL396298 DB04882 Edotecarin BE0000971 TOP1 P11387 TOP1_HUMAN 17325867; 15929804 "Carvajal RD, Ilson DH, Noy A: Possible role of edotecarin, a novel topoisomerase I inhibitor, in therapy-related myelodysplastic syndrome. Leuk Lymphoma. 2007 Jan;48(1):192-4.@@Saif MW, Diasio RB: Edotecarin: a novel topoisomerase I inhibitor. Clin Colorectal Cancer. 2005 May;5(1):27-36." Investigational Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "Indoles; Heterocyclic Compounds, Fused-Ring" OCC(CO)NN1C(=O)C2=C3C(NC4=C3C=CC(O)=C4)=C3N([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C4=C(C=CC(O)=C4)C3=C2C1=O 175426885 D03954 CHEMBL435191 DB04884 Dapoxetine BE0000533 HTR2C P28335 5HT2C_HUMAN 17624269 "Wang WF, Chang L, Minhas S, Ralph DJ: Selective serotonin reuptake inhibitors in the treatment of premature ejaculation. Chin Med J (Engl). 2007 Jun 5;120(11):1000-6." Investigational Naphthalenes Organic compounds; Benzenoids; Naphthalenes Amines; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Benzyl Compounds; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Hypoglycemia-Associated Agents CN(C)[C@@H](CCOC1=CC=CC2=CC=CC=C12)C1=CC=CC=C1 175426887 D03649 PA166151992 Dapoxetine CHEMBL2110900 DB04890 Bepotastine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 16914135; 11752352 "Andoh T, Kuraishi Y: Suppression by bepotastine besilate of substance P-induced itch-associated responses through the inhibition of the leukotriene B4 action in mice. Eur J Pharmacol. 2006 Oct 10;547(1-3):59-64. Epub 2006 Jul 25.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Benzylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers Anti-Allergic Agents; Histamine Antagonists; Histamine H1 Antagonists; Drugs that are Mainly Renally Excreted; Mast Cell Stabilizers OC(=O)CCCN1CCC(CC1)OC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1 Bepotastine H1-Antihistamine Action drug_action 22757 46504940 D01654 PA164781356 DCL000719 Bepotastine CHEMBL1201758 863035 DB04891 Becocalcidiol BE0004382 MED1 Q15648 MED1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives Cholestanes; Fused-Ring Compounds; Sterols; Vitamins; Vitamins (Fat Soluble); Vitamin D and Analogues; Lipids; Cholestenes; Steroids; Membrane Lipids; Secosteroids CC[C@@](C)([H])[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@](O)([H])C(=C)[C@]([H])(O)C1 175426893 CHEMBL2104955 DB04891 Becocalcidiol BE0000779 VDR P11473 VDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives Cholestanes; Fused-Ring Compounds; Sterols; Vitamins; Vitamins (Fat Soluble); Vitamin D and Analogues; Lipids; Cholestenes; Steroids; Membrane Lipids; Secosteroids CC[C@@](C)([H])[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@](O)([H])C(=C)[C@]([H])(O)C1 175426893 CHEMBL2104955 DB04892 Phenserine BE0002180 BCHE P06276 CHLE_HUMAN inhibitor 15620572 "Janas AM, Cunningham SC, Duffy KB, Devan BD, Greig NH, Holloway HW, Yu QS, Markowska AL, Ingram DK, Spangler EL: The cholinesterase inhibitor, phenserine, improves Morris water maze performance of scopolamine-treated rats. Life Sci. 2005 Jan 21;76(10):1073-81." Investigational Pyrroloindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles "Stereoisomerism; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbamates; Alkaloids; Cholinesterase Inhibitors; Neurotransmitter Agents; Phenylcarbamates; Acids, Acyclic; Indolizines; Cholinergic Agents; Indoles" [H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC3=CC=CC=C3)=C1)N2C 175426894 CHEMBL74926 DB04892 Phenserine BE0003392 APP P05067 A4_HUMAN 15681799 "Venti A, Giordano T, Eder P, Bush AI, Lahiri DK, Greig NH, Rogers JT: The integrated role of desferrioxamine and phenserine targeted to an iron-responsive element in the APP-mRNA 5'-untranslated region. Ann N Y Acad Sci. 2004 Dec;1035:34-48." Investigational Pyrroloindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles "Stereoisomerism; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbamates; Alkaloids; Cholinesterase Inhibitors; Neurotransmitter Agents; Phenylcarbamates; Acids, Acyclic; Indolizines; Cholinergic Agents; Indoles" [H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC3=CC=CC=C3)=C1)N2C 175426894 CHEMBL74926 DB04893 AZD3409 BE0002372 FNTB P49356 FNTB_HUMAN 16113095 Wakeling AE: Inhibitors of growth factor signalling. Endocr Relat Cancer. 2005 Jul;12 Suppl 1:S183-7. Investigational 347909841 DB04893 AZD3409 BE0002373 FNTA P49354 FNTA_HUMAN 16113095 Wakeling AE: Inhibitors of growth factor signalling. Endocr Relat Cancer. 2005 Jul;12 Suppl 1:S183-7. Investigational 347909841 DB04894 Vapreotide BE0000384 TACR1 P25103 NK1R_HUMAN antagonist 7556407; 11752352 "Betoin F, Advenier C, Fardin V, Wilcox G, Lavarenne J, Eschalier A: In vitro and in vivo evidence for a tachykinin NK1 receptor antagonist effect of vapreotide, an analgesic cyclic analog of somatostatin. Eur J Pharmacol. 1995 Jun 12;279(2-3):241-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental; Investigational Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Sensory System Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Amino Acids, Peptides, and Proteins; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Enzyme Inhibitors; Nerve Tissue Proteins; Cytochrome P-450 CYP3A Inhibitors; Proteins; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Hormones; Neuropeptides; Peptides; Pancreatic Hormones; Peripheral Nervous System Agents; Analgesics; Pituitary Hormone Release Inhibiting Hormones; Peptide Hormones; Central Nervous System Agents; Hypothalamic Hormones; Somatostatin and Analogues; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(N)=O)NC(=O)[C@H](N)CC1=CC=CC=C1 46506923 D06281 PA164743146 DAP001242 Vapreotide CHEMBL3349523 DB04899 Nesiritide BE0002426 NPR3 P17342 ANPRC_HUMAN Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Hypotensive Agents; Natriuretic Agents; Cardiovascular Agents; Vasodilators Used in Cardiac Diseases; Peptide Hormones; Cardiac Therapy; Natriuretic Peptide, Brain; Nerve Tissue Proteins; Peptides; Proteins; Amino Acids, Peptides, and Proteins; Natriuretic Peptides; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 14052 46508506 PA164781045 P16860 DAP001320 Nesiritide CHEMBL1201668 19666 DB04903 Pagoclone BE0000381 GABRA2 P47869 GBRA2_HUMAN 16430927 "Atack JR, Pike A, Marshall G, Stanley J, Lincoln R, Cook SM, Lewis RT, Blackaby WP, Goodacre SC, McKernan RM, Dawson GR, Wafford KA, Reynolds DS: The in vivo properties of pagoclone in rat are most likely mediated by 5'-hydroxy pagoclone. Neuropharmacology. 2006 May;50(6):677-89. Epub 2006 Jan 20." Investigational Naphthyridines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Naphthyridines "GABA Agents; Heterocyclic Compounds, Fused-Ring; Hypnotics and Sedatives; Central Nervous System Depressants; Hypnotics (Nonbenzodiazepine)" CC(C)CCC(=O)CC1N(C(=O)C2=CC=CC=C12)C1=NC2=C(C=CC(Cl)=N2)C=C1 175426895 Pagoclone CHEMBL2104745 DB04905 Tesmilifene BE0001032 ABCB1 P08183 MDR1_HUMAN inducer 16413681; 10755318 "Vincent M: Tesmilifene may enhance breast cancer chemotherapy by killing a clone of aggressive, multi-drug resistant cells through its action on the p-glycoprotein pump. Med Hypotheses. 2006;66(4):715-31. Epub 2006 Jan 18.@@Brandes LJ, Queen GM, LaBella FS: N,N-diethyl-2-[4-(phenylmethyl)phenoxy] ethanamine (DPPE) a chemopotentiating and cytoprotective agent in clinical trials: interaction with histamine at cytochrome P450 3A4 and other isozymes that metabolize antineoplastic drugs. Cancer Chemother Pharmacol. 2000;45(4):298-304." Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Cytochrome P-450 CYP3A Substrates; Ethers; P-glycoprotein inducers; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP3A Inducers; Hematologic Agents; Histamine Agents CCN(CC)CCOC1=CC=C(CC2=CC=CC=C2)C=C1 175426896 Tesmilifene CHEMBL26424 DB04905 Tesmilifene BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 2886214 "Brandes LJ, Bogdanovic RP, Cawker MD, LaBella FS: Histamine and growth: interaction of antiestrogen binding site ligands with a novel histamine site that may be associated with calcium channels. Cancer Res. 1987 Aug 1;47(15):4025-31." Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Cytochrome P-450 CYP3A Substrates; Ethers; P-glycoprotein inducers; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP3A Inducers; Hematologic Agents; Histamine Agents CCN(CC)CCOC1=CC=C(CC2=CC=CC=C2)C=C1 175426896 Tesmilifene CHEMBL26424 DB04910 Oxibendazole BE0001367 TUBB4B P68371 TBB4B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational; Vet_approved 2-benzimidazolylcarbamic acid esters Organic compounds; Organoheterocyclic compounds; Benzimidazoles; 2-benzimidazolylcarbamic acid esters "Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Anthelmintics; Antiparasitic Agents" CCCOC1=CC2=C(C=C1)N=C(NC(=O)OC)N2 1943 175426899 Oxibendazole CHEMBL1087630 1009342 DB04912 Stannsoporfin BE0000587 HMOX2 P30519 HMOX2_HUMAN 15686268; 8321837; 8265722; 10872746; 12785007 "Drummond GS, Kappas A: Chemoprevention of severe neonatal hyperbilirubinemia. Semin Perinatol. 2004 Oct;28(5):365-8.@@Cannon JB, Martin C, Drummond GS, Kappas A: Targeted delivery of a heme oxygenase inhibitor with a lyophilized liposomal tin mesoporphyrin formulation. Pharm Res. 1993 May;10(5):715-21.@@Boni RE, Huch Boni RA, Galbraith RA, Drummond GS, Kappas A: Tin-mesoporphyrin inhibits heme oxygenase activity and heme-iron absorption in the intestine. Pharmacology. 1993 Nov;47(5):318-29.@@Wagner KR, Hua Y, de Courten-Myers GM, Broderick JP, Nishimura RN, Lu SY, Dwyer BE: Tin-mesoporphyrin, a potent heme oxygenase inhibitor, for treatment of intracerebral hemorrhage: in vivo and in vitro studies. Cell Mol Biol (Noisy-le-grand). 2000 May;46(3):597-608.@@Nalos M, Vassilev D, Pittner A, Asfar P, Bruckner UB, Schneider EM, Georgieff M, Radermacher P, Froeba G: Tin-mesoporphyrin for inhibition of heme oxygenase during long-term hyperdynamic porcine endotoxemia. Shock. 2003 Jun;19(6):526-32." Investigational "Coordination Complexes; Biological Factors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Porphyrins; Pigments, Biological; Heme Oxygenase (Decyclizing), antagonists & inhibitors" [Cl-].[Cl-].[Sn+4].CCC1=C2[N-]C(\C=C3/N=C(/C=C4\[N-]\C(=C/C5=N/C(=C\2)/C(C)=C5CC)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C)=C1C 347827700 DB04915 Idronoxil BE0002434 ENOX2 Q16206 ENOX2_HUMAN 17518268 "Morre DJ, Chueh PJ, Yagiz K, Balicki A, Kim C, Morre DM: ECTO-NOX target for the anticancer isoflavene phenoxodiol. Oncol Res. 2007;16(7):299-312." Investigational Hydroxyisoflavonoids Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Hydroxyisoflavonoids "Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans; Flavonoids" OC1=CC=C(C=C1)C1=CC2=C(OC1)C=C(O)C=C2 175426901 CHEMBL1957038 DB04917 Renzapride BE0000084 HTR4 Q13639 5HT4R_HUMAN 1364818 "Craig DA, Clarke DE: Peristalsis evoked by 5-HT and renzapride: evidence for putative 5-HT4 receptor activation. Br J Pharmacol. 1991 Mar;102(3):563-4." Investigational Aminobenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Serotonin Agents; Serotonin 5-HT4 Receptor Agonists; Central Nervous System Depressants; Benzoates; Acids, Carbocyclic; Neurotransmitter Agents; Serotonin Receptor Agonists; Amides; Serotonin Receptor Antagonists; Benzene Derivatives; Antidepressive Agents" COC1=C(C=CC(N)=C1Cl)C(=O)NC1CCN2CCCC1C2 175426902 Renzapride DB04920 Clevidipine BE0002355 CACNA1S Q13698 CAC1S_HUMAN 15492770 "Nordlander M, Sjoquist PO, Ericsson H, Ryden L: Pharmacodynamic, pharmacokinetic and clinical effects of clevidipine, an ultrashort-acting calcium antagonist for rapid blood pressure control. Cardiovasc Drug Rev. 2004 Fall;22(3):227-50." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A4 Inhibitors (weak); Dihydropyridine Derivatives; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cholinesterase substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(Cl)=C1Cl)C(=O)OC 20686 175426904 D08892 Clevidipine CHEMBL1237132 233603 DB04920 Clevidipine BE0002359 CACNA1D Q01668 CAC1D_HUMAN 15492770 "Nordlander M, Sjoquist PO, Ericsson H, Ryden L: Pharmacodynamic, pharmacokinetic and clinical effects of clevidipine, an ultrashort-acting calcium antagonist for rapid blood pressure control. Cardiovasc Drug Rev. 2004 Fall;22(3):227-50." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A4 Inhibitors (weak); Dihydropyridine Derivatives; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cholinesterase substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(Cl)=C1Cl)C(=O)OC 20686 175426904 D08892 Clevidipine CHEMBL1237132 233603 DB04920 Clevidipine BE0000430 CACNA1C Q13936 CAC1C_HUMAN 15492770 "Nordlander M, Sjoquist PO, Ericsson H, Ryden L: Pharmacodynamic, pharmacokinetic and clinical effects of clevidipine, an ultrashort-acting calcium antagonist for rapid blood pressure control. Cardiovasc Drug Rev. 2004 Fall;22(3):227-50." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A4 Inhibitors (weak); Dihydropyridine Derivatives; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cholinesterase substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(Cl)=C1Cl)C(=O)OC 20686 175426904 D08892 Clevidipine CHEMBL1237132 233603 DB04926 Neramexane BE0000641 GRIN3A Q8TCU5 NMD3A_HUMAN Investigational Cyclohexylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Cyclohexylamines Cycloparaffins CC1(C)CC(C)(C)CC(C)(N)C1 175426906 Neramexane CHEMBL2110954 DB04930 Permethrin BE0000123 ESR1 P03372 ESR1_HUMAN 16395479 "McCarthy AR, Thomson BM, Shaw IC, Abell AD: Estrogenicity of pyrethroid insecticide metabolites. J Environ Monit. 2006 Jan;8(1):197-202. Epub 2005 Dec 14." Approved; Investigational Pyrethroids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters "Enzyme Inhibitors; Pesticides; Ethers; Pyrethrins; Benzene Derivatives; Scabicides and Pediculicides; Insecticides; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Phenols; Antiparasitic Products, Insecticides and Repellents; Drugs that are Mainly Renally Excreted; Pyrethrines, Incl. Synthetic Compounds; Monoterpenes; Cytochrome P-450 CYP2B6 Inducers; Terpenes; Ectoparasiticides, Incl. Scabicides; Phenyl Ethers; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cyclopentane Monoterpenes; Agrochemicals; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents" CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1 1313 46505374 D05443 PA164743137 DAP001235 Permethrin CHEMBL1525 33199 DB04931 Afamelanotide BE0002447 MC1R Q01726 MSHR_HUMAN agonist 30704898; 28063031; 26979527 "Balwani M: Erythropoietic Protoporphyria and X-Linked Protoporphyria: pathophysiology, genetics, clinical manifestations, and management. Mol Genet Metab. 2019 Jan 24. pii: S1096-7192(18)30641-3. doi: 10.1016/j.ymgme.2019.01.020.@@Minder EI, Barman-Aksoezen J, Schneider-Yin X: Pharmacokinetics and Pharmacodynamics of Afamelanotide and its Clinical Use in Treating Dermatologic Disorders. Clin Pharmacokinet. 2017 Aug;56(8):815-823. doi: 10.1007/s40262-016-0501-5.@@Kim ES, Garnock-Jones KP: Afamelanotide: A Review in Erythropoietic Protoporphyria. Am J Clin Dermatol. 2016 Apr;17(2):179-85. doi: 10.1007/s40257-016-0184-6." Approved; Investigational Polypeptides Organic compounds; Organic Polymers; Polypeptides "Indicators and Reagents; Melanocyte-Stimulating Hormones; Melanocortin Receptor Agonists; Melanocortin 1 Receptor (MC1-R) Agonists; Peptides; Protective Agents; Compounds used in a research, industrial, or household setting; Protectives Against UV-Radiation; Proteins; Dermatologicals; Amino Acids, Peptides, and Proteins; Protectives Against UV-Radiation for Systemic Use; Laboratory Chemicals; Hormones, Hormone Substitutes, and Hormone Antagonists" CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O 175426907 Melanotan CHEMBL441738 2262250 DB04932 Defibrotide BE0000924 ADORA2A P29274 AA2AR_HUMAN 8405101 "Bianchi G, Barone D, Lanzarotti E, Tettamanti R, Porta R, Moltrasio D, Cedro A, Salvetti L, Mantovani M, Prino G: Defibrotide, a single-stranded polydeoxyribonucleotide acting as an adenosine receptor agonist. Eur J Pharmacol. 1993 Jul 20;238(2-3):327-34." Approved; Investigational "Cardiovascular Agents; Anti-Inflammatory Agents; Blood and Blood Forming Organs; Anticoagulants; Aptamers, Nucleotide; Fibrinolytic Agents; Hematologic Agents; Polynucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Fibrin Modulating Agents; Antiplatelet agents" 22880 46508192 PA164749105 Defibrotide CHEMBL2108396 1311089 DB04932 Defibrotide BE0000241 ADORA2B P29275 AA2BR_HUMAN 8405101 "Bianchi G, Barone D, Lanzarotti E, Tettamanti R, Porta R, Moltrasio D, Cedro A, Salvetti L, Mantovani M, Prino G: Defibrotide, a single-stranded polydeoxyribonucleotide acting as an adenosine receptor agonist. Eur J Pharmacol. 1993 Jul 20;238(2-3):327-34." Approved; Investigational "Cardiovascular Agents; Anti-Inflammatory Agents; Blood and Blood Forming Organs; Anticoagulants; Aptamers, Nucleotide; Fibrinolytic Agents; Hematologic Agents; Polynucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Fibrin Modulating Agents; Antiplatelet agents" 22880 46508192 PA164749105 Defibrotide CHEMBL2108396 1311089 DB04938 Ospemifene BE0000123 ESR1 P03372 ESR1_HUMAN antagonist 15255284; 16153821 "Komi J, Heikkinen J, Rutanen EM, Halonen K, Lammintausta R, Ylikorkala O: Effects of ospemifene, a novel SERM, on biochemical markers of bone turnover in healthy postmenopausal women. Gynecol Endocrinol. 2004 Mar;18(3):152-8.@@Wurz GT, Read KC, Marchisano-Karpman C, Gregg JP, Beckett LA, Yu Q, Degregorio MW: Ospemifene inhibits the growth of dimethylbenzanthracene-induced mammary tumors in Sencar mice. J Steroid Biochem Mol Biol. 2005 Nov;97(3):230-40. Epub 2005 Sep 8." Approved; Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2D6 Inhibitors; Selective Estrogen Receptor Modulators; Stilbenes; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Estrogen Agonist-antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; Estrogen Agonist/Antagonist; Cytochrome P-450 CYP2C19 Substrates OCCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1 23619 175426911 D08958 Ospemifene CHEMBL2105395 1370971 DB04941 Crofelemer BE0004746 ANO1 Q5XXA6 ANO1_HUMAN antagonist 19808995 "Tradtrantip L, Namkung W, Verkman AS: Crofelemer, an antisecretory antidiarrheal proanthocyanidin oligomer extracted from Croton lechleri, targets two distinct intestinal chloride channels. Mol Pharmacol. 2010 Jan;77(1):69-78. doi: 10.1124/mol.109.061051. Epub 2009 Oct 6." Approved "Chromones; Chromans; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Antidiarrheals; Polymers; Tannins; Macromolecular Substances; Biopolymers; Pyrans; Alimentary Tract and Metabolism; Flavonoids; Compounds used in a research, industrial, or household setting" 347909853 D03605 Crofelemer CHEMBL2108184 1364449 DB04941 Crofelemer BE0001195 CFTR P13569 CFTR_HUMAN antagonist 19808995 "Tradtrantip L, Namkung W, Verkman AS: Crofelemer, an antisecretory antidiarrheal proanthocyanidin oligomer extracted from Croton lechleri, targets two distinct intestinal chloride channels. Mol Pharmacol. 2010 Jan;77(1):69-78. doi: 10.1124/mol.109.061051. Epub 2009 Oct 6." Approved "Chromones; Chromans; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Antidiarrheals; Polymers; Tannins; Macromolecular Substances; Biopolymers; Pyrans; Alimentary Tract and Metabolism; Flavonoids; Compounds used in a research, industrial, or household setting" 347909853 D03605 Crofelemer CHEMBL2108184 1364449 DB04942 Tamibarotene BE0000663 RARA P10276 RARA_HUMAN agonist 17925887; 15843826; 11752352; 17611697; 15563242 "Miwako I, Kagechika H: Tamibarotene. Drugs Today (Barc). 2007 Aug;43(8):563-8.@@Sanda T, Kuwano T, Nakao S, Iida S, Ishida T, Komatsu H, Shudo K, Kuwano M, Ono M, Ueda R: Antimyeloma effects of a novel synthetic retinoid Am80 (Tamibarotene) through inhibition of angiogenesis. Leukemia. 2005 Jun;19(6):901-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Jimi S, Mashima K, Matsumoto T, Hara S, Suzumiya J, Tamura K: RARalpha is a regulatory factor for Am-80-induced cell growth inhibition of hematologic malignant cells. Int J Oncol. 2007 Aug;31(2):397-404.@@Authors unspecified: Tamibarotene: AM 80, retinobenzoic acid, Tamibaro. Drugs R D. 2004;5(6):359-62." Investigational Tetralins Organic compounds; Benzenoids; Tetralins "Acids, Carbocyclic; Naphthalenes; Benzene Derivatives" CC1(C)CCC(C)(C)C2=C1C=CC(NC(=O)C1=CC=C(C=C1)C(O)=O)=C2 46509039 D01418 PA164743464 DAP000461 Tamibarotene CHEMBL25202 DB04942 Tamibarotene BE0000206 RARB P10826 RARB_HUMAN agonist 17925887; 15843826; 17611697; 15563242 "Miwako I, Kagechika H: Tamibarotene. Drugs Today (Barc). 2007 Aug;43(8):563-8.@@Sanda T, Kuwano T, Nakao S, Iida S, Ishida T, Komatsu H, Shudo K, Kuwano M, Ono M, Ueda R: Antimyeloma effects of a novel synthetic retinoid Am80 (Tamibarotene) through inhibition of angiogenesis. Leukemia. 2005 Jun;19(6):901-9.@@Jimi S, Mashima K, Matsumoto T, Hara S, Suzumiya J, Tamura K: RARalpha is a regulatory factor for Am-80-induced cell growth inhibition of hematologic malignant cells. Int J Oncol. 2007 Aug;31(2):397-404.@@Authors unspecified: Tamibarotene: AM 80, retinobenzoic acid, Tamibaro. Drugs R D. 2004;5(6):359-62." Investigational Tetralins Organic compounds; Benzenoids; Tetralins "Acids, Carbocyclic; Naphthalenes; Benzene Derivatives" CC1(C)CCC(C)(C)C2=C1C=CC(NC(=O)C1=CC=C(C=C1)C(O)=O)=C2 46509039 D01418 PA164743464 DAP000461 Tamibarotene CHEMBL25202 DB04946 Iloperidone BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 23545936 "George M, Amrutheshwar R, Rajkumar RP, Kattimani S, Dkhar SA: Newer antipsychotics and upcoming molecules for schizophrenia. Eur J Clin Pharmacol. 2013 Aug;69(8):1497-509. doi: 10.1007/s00228-013-1498-4. Epub 2013 Apr 2." Approved Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Schizophrenia; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates COC1=C(OCCCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C=CC(=C1)C(C)=O 175426913 D02666 PA161199368 Iloperidone CHEMBL14376 73178 DB04946 Iloperidone BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 23272794 "Bobo WV: Asenapine, iloperidone and lurasidone: critical appraisal of the most recently approved pharmacotherapies for schizophrenia in adults. Expert Rev Clin Pharmacol. 2013 Jan;6(1):61-91. doi: 10.1586/ecp.12.70." Approved Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Schizophrenia; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates COC1=C(OCCCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C=CC(=C1)C(C)=O 175426913 D02666 PA161199368 Iloperidone CHEMBL14376 73178 DB04946 Iloperidone BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 23272794 "Bobo WV: Asenapine, iloperidone and lurasidone: critical appraisal of the most recently approved pharmacotherapies for schizophrenia in adults. Expert Rev Clin Pharmacol. 2013 Jan;6(1):61-91. doi: 10.1586/ecp.12.70." Approved Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Schizophrenia; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates COC1=C(OCCCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C=CC(=C1)C(C)=O 175426913 D02666 PA161199368 Iloperidone CHEMBL14376 73178 DB04948 Lofexidine BE0000650 HTR7 P34969 5HT7R_HUMAN agonist Approved; Investigational Dichlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes Sensory System Agents; Central alpha-2 Adrenergic Agonist; QTc Prolonging Agents; Adrenergic alpha-Agonists; Antihypertensive Agents; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; MATE 1 Inhibitors; Drugs Used in Addictive Disorders; Hypotensive Agents; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs Used in Opioid Dependence; Imidazoles; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 Substrates; Serotonin 5-HT2 Receptor Agonists; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; MATE inhibitors; Agents that produce hypertension; Imidazolines; Peripheral Nervous System Agents; Serotonin Agents; Central Nervous System Agents; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates CC(OC1=C(Cl)C=CC=C1Cl)C1=NCCN1 46508453 PA164744510 DAP000064 Lofexidine CHEMBL17860 28863 DB04948 Lofexidine BE0000533 HTR2C P28335 5HT2C_HUMAN agonist Approved; Investigational Dichlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes Sensory System Agents; Central alpha-2 Adrenergic Agonist; QTc Prolonging Agents; Adrenergic alpha-Agonists; Antihypertensive Agents; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; MATE 1 Inhibitors; Drugs Used in Addictive Disorders; Hypotensive Agents; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs Used in Opioid Dependence; Imidazoles; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 Substrates; Serotonin 5-HT2 Receptor Agonists; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; MATE inhibitors; Agents that produce hypertension; Imidazolines; Peripheral Nervous System Agents; Serotonin Agents; Central Nervous System Agents; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates CC(OC1=C(Cl)C=CC=C1Cl)C1=NCCN1 46508453 PA164744510 DAP000064 Lofexidine CHEMBL17860 28863 DB04953 Ezogabine BE0000897 KCNQ2 O43526 KCNQ2_HUMAN 15662042; 17184917; 17456683; 10908292; 10953053 "Wuttke TV, Seebohm G, Bail S, Maljevic S, Lerche H: The new anticonvulsant retigabine favors voltage-dependent opening of the Kv7.2 (KCNQ2) channel by binding to its activation gate. Mol Pharmacol. 2005 Apr;67(4):1009-17. Epub 2005 Jan 20.@@Hirano K, Kuratani K, Fujiyoshi M, Tashiro N, Hayashi E, Kinoshita M: Kv7.2-7.5 voltage-gated potassium channel (KCNQ2-5) opener, retigabine, reduces capsaicin-induced visceral pain in mice. Neurosci Lett. 2007 Feb 14;413(2):159-62. Epub 2006 Dec 20.@@Punke MA, Friederich P: Amitriptyline is a potent blocker of human Kv1.1 and Kv7.2/7.3 channels. Anesth Analg. 2007 May;104(5):1256-64, tables of contents.@@Main MJ, Cryan JE, Dupere JR, Cox B, Clare JJ, Burbidge SA: Modulation of KCNQ2/3 potassium channels by the novel anticonvulsant retigabine. Mol Pharmacol. 2000 Aug;58(2):253-62.@@Wickenden AD, Yu W, Zou A, Jegla T, Wagoner PK: Retigabine, a novel anti-convulsant, enhances activation of KCNQ2/Q3 potassium channels. Mol Pharmacol. 2000 Sep;58(3):591-600." Approved; Investigational Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines "QTc Prolonging Agents; Amines; Central Nervous System Depressants; Potassium Channel Opener; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Potential QTc-Prolonging Agents; UGT1A3 substrates; Acids, Acyclic; Polyamines; Diamines; Aniline Compounds; Central Nervous System Agents; UGT1A9 Substrates; UGT1A4 substrates; UGT1A1 Substrates; Nervous System; Anticonvulsants" CCOC(=O)NC1=C(N)C=C(NCC2=CC=C(F)C=C2)C=C1 175426917 D09569 PA144997862 Retigabine CHEMBL41355 1112990 DB04953 Ezogabine BE0002398 KCNQ3 O43525 KCNQ3_HUMAN 17184917; 17456683; 10908292; 10953053 "Hirano K, Kuratani K, Fujiyoshi M, Tashiro N, Hayashi E, Kinoshita M: Kv7.2-7.5 voltage-gated potassium channel (KCNQ2-5) opener, retigabine, reduces capsaicin-induced visceral pain in mice. Neurosci Lett. 2007 Feb 14;413(2):159-62. Epub 2006 Dec 20.@@Punke MA, Friederich P: Amitriptyline is a potent blocker of human Kv1.1 and Kv7.2/7.3 channels. Anesth Analg. 2007 May;104(5):1256-64, tables of contents.@@Main MJ, Cryan JE, Dupere JR, Cox B, Clare JJ, Burbidge SA: Modulation of KCNQ2/3 potassium channels by the novel anticonvulsant retigabine. Mol Pharmacol. 2000 Aug;58(2):253-62.@@Wickenden AD, Yu W, Zou A, Jegla T, Wagoner PK: Retigabine, a novel anti-convulsant, enhances activation of KCNQ2/Q3 potassium channels. Mol Pharmacol. 2000 Sep;58(3):591-600." Approved; Investigational Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines "QTc Prolonging Agents; Amines; Central Nervous System Depressants; Potassium Channel Opener; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Potential QTc-Prolonging Agents; UGT1A3 substrates; Acids, Acyclic; Polyamines; Diamines; Aniline Compounds; Central Nervous System Agents; UGT1A9 Substrates; UGT1A4 substrates; UGT1A1 Substrates; Nervous System; Anticonvulsants" CCOC(=O)NC1=C(N)C=C(NCC2=CC=C(F)C=C2)C=C1 175426917 D09569 PA144997862 Retigabine CHEMBL41355 1112990 DB04953 Ezogabine BE0002400 KCNQ5 Q9NR82 KCNQ5_HUMAN 17184917; 12545144; 16713428 "Hirano K, Kuratani K, Fujiyoshi M, Tashiro N, Hayashi E, Kinoshita M: Kv7.2-7.5 voltage-gated potassium channel (KCNQ2-5) opener, retigabine, reduces capsaicin-induced visceral pain in mice. Neurosci Lett. 2007 Feb 14;413(2):159-62. Epub 2006 Dec 20.@@Hermann R, Ferron GM, Erb K, Knebel N, Ruus P, Paul J, Richards L, Cnota HP, Troy S: Effects of age and sex on the disposition of retigabine. Clin Pharmacol Ther. 2003 Jan;73(1):61-70.@@Borlak J, Gasparic A, Locher M, Schupke H, Hermann R: N-Glucuronidation of the antiepileptic drug retigabine: results from studies with human volunteers, heterologously expressed human UGTs, human liver, kidney, and liver microsomal membranes of Crigler-Najjar type II. Metabolism. 2006 Jun;55(6):711-21." Approved; Investigational Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines "QTc Prolonging Agents; Amines; Central Nervous System Depressants; Potassium Channel Opener; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Potential QTc-Prolonging Agents; UGT1A3 substrates; Acids, Acyclic; Polyamines; Diamines; Aniline Compounds; Central Nervous System Agents; UGT1A9 Substrates; UGT1A4 substrates; UGT1A1 Substrates; Nervous System; Anticonvulsants" CCOC(=O)NC1=C(N)C=C(NCC2=CC=C(F)C=C2)C=C1 175426917 D09569 PA144997862 Retigabine CHEMBL41355 1112990 DB04957 Azimilide BE0000672 KCNQ1 P51787 KCNQ1_HUMAN 11573692; 11060832 "Schmitt H, Cabo C, Coromilas JC, Wit AL: Effects of azimilide, a new class III antiarrhythmic drug, on reentrant circuits causing ventricular tachycardia and fibrillation in a canine model of myocardial infarction. J Cardiovasc Electrophysiol. 2001 Sep;12(9):1025-33.@@Abrol R, Page RL: Azimilide dihydrochloride: a new class III anti-arrhythmic agent. Expert Opin Investig Drugs. 2000 Nov;9(11):2705-15." Investigational Hydantoins Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines "Antiarrhythmic agents; Cytochrome P-450 CYP3A5 Substrates; Cardiovascular Agents; Cytochrome P-450 CYP2D6 Substrates; QTc Prolonging Agents; Cytochrome P-450 Substrates; Imidazolidines; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Imidazoles; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Substrates; Membrane Transport Modulators; Antiarrhythmics, Class III" CN1CCN(CCCCN2C(=O)CN(N=CC3=CC=C(O3)C3=CC=C(Cl)C=C3)C2=O)CC1 175426919 Azimilide DB04958 Epratuzumab BE0000183 CD22 P20273 CD22_HUMAN antibody 16918261; 17530024; 16814387; 33807678 "Steinfeld SD, Youinou P: Epratuzumab (humanised anti-CD22 antibody) in autoimmune diseases. Expert Opin Biol Ther. 2006 Sep;6(9):943-9.@@Leonard JP, Goldenberg DM: Preclinical and clinical evaluation of epratuzumab (anti-CD22 IgG) in B-cell malignancies. Oncogene. 2007 May 28;26(25):3704-13.@@Carnahan J, Stein R, Qu Z, Hess K, Cesano A, Hansen HJ, Goldenberg DM: Epratuzumab, a CD22-targeting recombinant humanized antibody with a different mode of action from rituximab. Mol Immunol. 2007 Feb;44(6):1331-41. Epub 2006 Jun 30.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Antineoplastic Agents, Immunological; Amino Acids, Peptides, and Proteins; Antineoplastic Agents" 347909859 Epratuzumab DB04959 Verpasep caltespen BE0002459 KRT7 P08729 K2C7_HUMAN 12072504 "Kanduc D: Translational regulation of human papillomavirus type 16 E7 mRNA by the peptide SEQIKA, shared by rabbit alpha(1)-globin and human cytokeratin 7. J Virol. 2002 Jul;76(14):7040-8." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" 347909860 HspE7 DB04959 Verpasep caltespen BE0002460 UBR4 Q5T4S7 UBR4_HUMAN 16061792 "Huh KW, DeMasi J, Ogawa H, Nakatani Y, Howley PM, Munger K: Association of the human papillomavirus type 16 E7 oncoprotein with the 600-kDa retinoblastoma protein-associated factor, p600. Proc Natl Acad Sci U S A. 2005 Aug 9;102(32):11492-7. Epub 2005 Aug 1." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" 347909860 HspE7 DB04960 Tipifarnib BE0002372 FNTB P49356 FNTB_HUMAN 15805288 "Venkatasubbarao K, Choudary A, Freeman JW: Farnesyl transferase inhibitor (R115777)-induced inhibition of STAT3(Tyr705) phosphorylation in human pancreatic cancer cell lines require extracellular signal-regulated kinases. Cancer Res. 2005 Apr 1;65(7):2861-71." Investigational Linear diarylheptanoids Organic compounds; Phenylpropanoids and polyketides; Diarylheptanoids; Linear diarylheptanoids "P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Quinolines; Antineoplastic Agents" CN1C=NC=C1[C@@](N)(C1=CC=C(Cl)C=C1)C1=CC2=C(C=C1)N(C)C(=O)C=C2C1=CC(Cl)=CC=C1 175426920 Tipifarnib CHEMBL289228 DB04964 Oregovomab BE0002439 MUC16 Q8WXI7 MUC16_HUMAN 15268682; 17073521 "Berek JS: Immunotherapy of ovarian cancer with antibodies: a focus on oregovomab. Expert Opin Biol Ther. 2004 Jul;4(7):1159-65.@@Authors unspecified: Oregovomab: anti-CA-125 monoclonal antibody B43.13--AltaRex, B43.13, MAb B43.13, monoclonal antibody B43.13. Drugs R D. 2006;7(6):379-83." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; CA-125 Antigen; Antineoplastic Agents, Immunological; Amino Acids, Peptides, and Proteins; Antineoplastic Agents" 347909863 Oregovomab DB04967 Lucanthone BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 9169823; 10487533; 11752352 "Bases RE, Mendez F: Topoisomerase inhibition by lucanthone, an adjuvant in radiation therapy. Int J Radiat Oncol Biol Phys. 1997 Mar 15;37(5):1133-7.@@Dassonneville L, Bailly C: Stimulation of topoisomerase II-mediated DNA cleavage by an indazole analogue of lucanthone. Biochem Pharmacol. 1999 Oct 15;58(8):1307-12.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Investigational Thiochromenes Organic compounds; Organoheterocyclic compounds; Thiochromenes "Antiplatyhelmintic Agents; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Sulfur Compounds; Anthelmintics; Thioxanthenes; Schistosomicides; Antiparasitic Agents; Xanthones; Xanthenes" CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1 46507260 PA164748783 DAP001003 Lucanthone CHEMBL279014 DB04967 Lucanthone BE0000971 TOP1 P11387 TOP1_HUMAN inhibitor 9169823; 10487533 "Bases RE, Mendez F: Topoisomerase inhibition by lucanthone, an adjuvant in radiation therapy. Int J Radiat Oncol Biol Phys. 1997 Mar 15;37(5):1133-7.@@Dassonneville L, Bailly C: Stimulation of topoisomerase II-mediated DNA cleavage by an indazole analogue of lucanthone. Biochem Pharmacol. 1999 Oct 15;58(8):1307-12." Investigational Thiochromenes Organic compounds; Organoheterocyclic compounds; Thiochromenes "Antiplatyhelmintic Agents; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Sulfur Compounds; Anthelmintics; Thioxanthenes; Schistosomicides; Antiparasitic Agents; Xanthones; Xanthenes" CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1 46507260 PA164748783 DAP001003 Lucanthone CHEMBL279014 DB04971 Reglitazar BE0000071 PPARA Q07869 PPARA_HUMAN Investigational "Phenyl-1,3-oxazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles CC1=C(CCOC2=CC=C(CC3C(=O)NOC3=O)C=C2)N=C(O1)C1=CC=CC=C1 347909866 CHEMBL293526 DB04971 Reglitazar BE0000215 PPARG P37231 PPARG_HUMAN Investigational "Phenyl-1,3-oxazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles CC1=C(CCOC2=CC=C(CC3C(=O)NOC3=O)C=C2)N=C(O1)C1=CC=CC=C1 347909866 CHEMBL293526 DB04973 LErafAON BE0000036 RAF1 P04049 RAF1_HUMAN 12429653 "Gokhale PC, Zhang C, Newsome JT, Pei J, Ahmad I, Rahman A, Dritschilo A, Kasid UN: Pharmacokinetics, toxicity, and efficacy of ends-modified raf antisense oligodeoxyribonucleotide encapsulated in a novel cationic liposome. Clin Cancer Res. 2002 Nov;8(11):3611-21." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Polynucleotides; Oligonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" 347909867 DB04974 Rimiducid BE0002386 MTOR P42345 MTOR_HUMAN ligand Investigational Cross-Linking Reagents CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC(OCC(=O)NCCNC(=O)COC2=CC=CC(=C2)[C@@H](CCC2=CC=C(OC)C(OC)=C2)OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC)C2=CC(OC)=C(OC)C(OC)=C2)=CC=C1)C1=CC(OC)=C(OC)C(OC)=C1 347909868 CHEMBL269259 DB04975 Banoxantrone BE0000742 TOP2A P11388 TOP2A_HUMAN 17340571 "Atkinson SJ, Loadman PM, Sutton C, Patterson LH, Clench MR: Examination of the distribution of the bioreductive drug AQ4N and its active metabolite AQ4 in solid tumours by imaging matrix-assisted laser desorption/ionisation mass spectrometry. Rapid Commun Mass Spectrom. 2007;21(7):1271-6." Investigational Anthraquinones Organic compounds; Benzenoids; Anthracenes; Anthraquinones Cytochrome P-450 CYP2B6 Substrates; Quinones; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anthracenes; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents C[N+](C)([O-])CCNC1=CC=C(NCC[N+](C)(C)[O-])C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O 347827701 CHEMBL117391 DB04978 SP1049C BE0000742 TOP2A P11388 TOP2A_HUMAN Investigational "Glycosides; Anthracyclines; Glycols; Carbohydrates; Polymers; Naphthacenes; Alcohols; Macromolecular Substances; Ethylene Glycols; Polyethylene Glycols; Compounds used in a research, industrial, or household setting" 347909870 DB04982 Talampanel BE0000640 GRIA1 P42261 GRIA1_HUMAN 12581229; 17199027; 16861112 "Langan YM, Lucas R, Jewell H, Toublanc N, Schaefer H, Sander JW, Patsalos PN: Talampanel, a new antiepileptic drug: single- and multiple-dose pharmacokinetics and initial 1-week experience in patients with chronic intractable epilepsy. Epilepsia. 2003 Jan;44(1):46-53.@@Howes JF, Bell C: Talampanel. Neurotherapeutics. 2007 Jan;4(1):126-9.@@Denes L, Szilagyi G, Gal A, Nagy Z: Talampanel a non-competitive AMPA-antagonist attenuates caspase-3 dependent apoptosis in mouse brain after transient focal cerebral ischemia. Brain Res Bull. 2006 Jul 31;70(3):260-2. Epub 2006 Mar 31." Investigational Benzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines "Receptors, AMPA, antagonists & inhibitors; Benzazepines; Heterocyclic Compounds, Fused-Ring" C[C@@H]1CC2=CC3=C(OCO3)C=C2C(=NN1C(C)=O)C1=CC=C(N)C=C1 175426925 D02696 Talampanel CHEMBL61872 DB04982 Talampanel BE0000829 GRIA2 P42262 GRIA2_HUMAN 12581229; 17199027; 16861112 "Langan YM, Lucas R, Jewell H, Toublanc N, Schaefer H, Sander JW, Patsalos PN: Talampanel, a new antiepileptic drug: single- and multiple-dose pharmacokinetics and initial 1-week experience in patients with chronic intractable epilepsy. Epilepsia. 2003 Jan;44(1):46-53.@@Howes JF, Bell C: Talampanel. Neurotherapeutics. 2007 Jan;4(1):126-9.@@Denes L, Szilagyi G, Gal A, Nagy Z: Talampanel a non-competitive AMPA-antagonist attenuates caspase-3 dependent apoptosis in mouse brain after transient focal cerebral ischemia. Brain Res Bull. 2006 Jul 31;70(3):260-2. Epub 2006 Mar 31." Investigational Benzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines "Receptors, AMPA, antagonists & inhibitors; Benzazepines; Heterocyclic Compounds, Fused-Ring" C[C@@H]1CC2=CC3=C(OCO3)C=C2C(=NN1C(C)=O)C1=CC=C(N)C=C1 175426925 D02696 Talampanel CHEMBL61872 DB04982 Talampanel BE0000831 GRIA3 P42263 GRIA3_HUMAN 12581229; 17199027; 16861112 "Langan YM, Lucas R, Jewell H, Toublanc N, Schaefer H, Sander JW, Patsalos PN: Talampanel, a new antiepileptic drug: single- and multiple-dose pharmacokinetics and initial 1-week experience in patients with chronic intractable epilepsy. Epilepsia. 2003 Jan;44(1):46-53.@@Howes JF, Bell C: Talampanel. Neurotherapeutics. 2007 Jan;4(1):126-9.@@Denes L, Szilagyi G, Gal A, Nagy Z: Talampanel a non-competitive AMPA-antagonist attenuates caspase-3 dependent apoptosis in mouse brain after transient focal cerebral ischemia. Brain Res Bull. 2006 Jul 31;70(3):260-2. Epub 2006 Mar 31." Investigational Benzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines "Receptors, AMPA, antagonists & inhibitors; Benzazepines; Heterocyclic Compounds, Fused-Ring" C[C@@H]1CC2=CC3=C(OCO3)C=C2C(=NN1C(C)=O)C1=CC=C(N)C=C1 175426925 D02696 Talampanel CHEMBL61872 DB04988 IGN311 BE0000767 EGFR P00533 EGFR_HUMAN 16963623 "Farhan H, Schuster C, Klinger M, Weisz E, Waxenecker G, Schuster M, Sexl V, Mudde GC, Freissmuth M, Kircheis R: Inhibition of xenograft tumor growth and down-regulation of ErbB receptors by an antibody directed against Lewis Y antigen. J Pharmacol Exp Ther. 2006 Dec;319(3):1459-66. Epub 2006 Sep 8." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 347909877 DB04988 IGN311 BE0000511 ERBB2 P04626 ERBB2_HUMAN 16963623 "Farhan H, Schuster C, Klinger M, Weisz E, Waxenecker G, Schuster M, Sexl V, Mudde GC, Freissmuth M, Kircheis R: Inhibition of xenograft tumor growth and down-regulation of ErbB receptors by an antibody directed against Lewis Y antigen. J Pharmacol Exp Ther. 2006 Dec;319(3):1459-66. Epub 2006 Sep 8." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 347909877 DB04991 XL784 BE0002404 ADAM10 O14672 ADA10_HUMAN Investigational 347909879 DB04997 ATL1102 BE0000590 ITGA4 P13612 ITA4_HUMAN Investigational 347909882 DB04998 AGRO100 BE0002394 IKBKG Q9Y6K9 NEMO_HUMAN Investigational "Polynucleotides; Aptamers, Nucleotide; Oligonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" 347909883 DB05003 Imexon BE0000325 RRM1 P23921 RIR1_HUMAN Investigational Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Ketones NC1=NC(=O)N2CC12 175426928 Imexon CHEMBL146428 DB05004 Peptide YY (3-36) BE0002419 NPY2R P49146 NPY2R_HUMAN Investigational "Gastrointestinal Hormones; Peptide Hormones; Peptides; Amino Acids, Peptides, and Proteins; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 347909887 DB05004 Peptide YY (3-36) BE0002451 NPY1R P25929 NPY1R_HUMAN Investigational "Gastrointestinal Hormones; Peptide Hormones; Peptides; Amino Acids, Peptides, and Proteins; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 347909887 DB05009 Apadenoson BE0000924 ADORA2A P29274 AA2AR_HUMAN 16524538 Cerqueira MD: Advances in pharmacologic agents in imaging: new A2A receptor agonists. Curr Cardiol Rep. 2006 Mar;8(2):119-22. Investigational Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" "Hydrocarbons, Acyclic; Heterocyclic Compounds, Fused-Ring; Cycloparaffins; Purines; Nucleosides; Acids, Carbocyclic; Nucleic Acids, Nucleotides, and Nucleosides; Cyclohexanes; Adenosine A2 Receptor Agonists; Adenosine A receptor agonists" CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=C(N=C2N)C#CC[C@H]1CC[C@@H](CC1)C(=O)OC 175426929 CHEMBL1950649 DB05010 SGS-742 BE0002340 GABBR2 O75899 GABR2_HUMAN Investigational Organophosphorus compounds Organic compounds; Organophosphorus compounds "GABA Agents; Central Nervous System Agents; Neurotransmitter Agents; GABA Antagonists; Protective Agents; Neuroprotective Agents; Compounds used in a research, industrial, or household setting" CCCCP(O)(=O)CCCN 347827702 CHEMBL112797 DB05013 Ingenol mebutate BE0001132 PRKCA P17252 KPCA_HUMAN ligand 15126366 "Kedei N, Lundberg DJ, Toth A, Welburn P, Garfield SH, Blumberg PM: Characterization of the interaction of ingenol 3-angelate with protein kinase C. Cancer Res. 2004 May 1;64(9):3243-55." Approved Tigliane and ingenane diterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids Cell Death Inducer; Increased Cellular Death; Misc. Skin and Mucous Membrane Agents; Dermatologicals; Terpenes [H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(\C)=C/C)[C@@]3(O)[C@H](O)C(CO)=C[C@@]([H])(C4=O)[C@]1([H])C2(C)C 21660 175426930 D09393 Ingenol_mebutate CHEMBL1863513 1242806 DB05014 XL999 BE0002131 FGFR1 P11362 FGFR1_HUMAN Investigational 347909892 DB05014 XL999 BE0002411 RET P07949 RET_HUMAN Investigational 347909892 DB05015 Belinostat BE0008667 HDAC1 Q9UKV0 HDAC9_HUMAN inhibitor 28090369; 32503121 "Hood K, Shah A: Belinostat for Relapsed or Refractory Peripheral T-Cell Lymphoma. J Adv Pract Oncol. 2016 Mar;7(2):209-218. Epub 2016 Mar 1.@@Curreli F, Ahmed S, Victor SMB, Debnath AK: Identification of Combinations of Protein Kinase C Activators and Histone Deacetylase Inhibitors That Potently Reactivate Latent HIV. Viruses. 2020 Jun 3;12(6). pii: v12060609. doi: 10.3390/v12060609." Approved; Investigational Cinnamic acids and derivatives Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives Myelosuppressive Agents; Cancer immunotherapy; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Hydroxylamines; Amides; Histone deacetylase (HDAC) inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Immunotherapy; Sulfones; Cytochrome P-450 Substrates; Histone Deacetylase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Hydroxy Acids; Cytochrome P-450 CYP2C8 Inhibitors (weak); UGT1A1 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers (weak); UGT1A1 Substrates; Sulfur Compounds; Narrow Therapeutic Index Drugs ONC(=O)\C=C\C1=CC=CC(=C1)S(=O)(=O)NC1=CC=CC=C1 347827703 Belinostat CHEMBL408513 1543543 DB05022 Amonafide BE0000742 TOP2A P11388 TOP2A_HUMAN Investigational Isoquinolones and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives "Indicators and Reagents; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Organophosphorus Compounds; Intercalating Agents; Laboratory Chemicals; Antineoplastic Agents; Compounds used in a research, industrial, or household setting" CN(C)CCN1C(=O)C2=CC=CC3=CC(N)=CC(C1=O)=C23 175426932 Amonafide CHEMBL428676 1440270 DB05022 Amonafide BE0002425 TOP2B Q02880 TOP2B_HUMAN Investigational Isoquinolones and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives "Indicators and Reagents; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Organophosphorus Compounds; Intercalating Agents; Laboratory Chemicals; Antineoplastic Agents; Compounds used in a research, industrial, or household setting" CN(C)CCN1C(=O)C2=CC=CC3=CC(N)=CC(C1=O)=C23 175426932 Amonafide CHEMBL428676 1440270 DB05023 ATL1101 BE0000858 IGF1R P08069 IGF1R_HUMAN Investigational 347909897 DB05024 CTA018 BE0000779 VDR P11473 VDR_HUMAN Investigational 347909898 DB05025 Arimoclomol BE0002390 SOD1 P00441 SODC_HUMAN Investigational Pyridinium derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinium derivatives Amines; Nervous System O[C@@H](CON=C(Cl)C1=C[N+]([O-])=CC=C1)CN1CCCCC1 175426933 Arimoclomol DB05033 INCB7839 BE0003412 ADAM9 Q13443 ADAM9_HUMAN Investigational 347909903 DB05035 Eprotirome BE0000687 THRA P10827 THA_HUMAN Investigational Bromodiphenyl ethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers Amines; Aniline Compounds; Amides CC(C)C1=C(O)C=CC(OC2=C(Br)C=C(NC(=O)CC(O)=O)C=C2Br)=C1 347827705 CHEMBL2035874 DB05035 Eprotirome BE0000315 THRB P10828 THB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Bromodiphenyl ethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers Amines; Aniline Compounds; Amides CC(C)C1=C(O)C=CC(OC2=C(Br)C=C(NC(=O)CC(O)=O)C=C2Br)=C1 347827705 CHEMBL2035874 DB05036 Grn163l BE0002478 SMG6 Q86US8 EST1A_HUMAN Investigational 347909904 DB05036 Grn163l BE0002479 SCYL1 Q96KG9 NTKL_HUMAN Investigational 347909904 DB05036 Grn163l BE0002480 PTGES3 Q15185 TEBP_HUMAN Investigational 347909904 DB05036 Grn163l BE0002449 TERT O14746 TERT_HUMAN Investigational 347909904 DB05038 Anatibant BE0003513 BDKRB2 P30411 BKRB2_HUMAN antagonist 10596852 "Pruneau D, Paquet JL, Luccarini JM, Defrene E, Fouchet C, Franck RM, Loillier B, Robert C, Belichard P, Duclos H, Cremers B, Dodey P: Pharmacological profile of LF 16-0687, a new potent non-peptide bradykinin B2 receptor antagonist. Immunopharmacology. 1999 Sep;43(2-3):187-94." Investigational Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Bradykinin Receptor Antagonists; Heterocyclic Compounds, Fused-Ring" CC1=CC(C)=C2C=CC=C(OCC3=C(Cl)C=CC(=C3Cl)S(=O)(=O)N3CCC[C@H]3C(=O)NCCCNC(=O)C3=CC=C(C=C3)C(N)=N)C2=N1 175426935 CHEMBL2107725 DB05045 Obinepitide BE0002419 NPY2R P49146 NPY2R_HUMAN Investigational Polypeptides Organic compounds; Organic Polymers; Polypeptides CC[C@H](C)[C@H](N=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@H](CCCNC(N)=N)N=C(O)[C@H](CCCNC(N)=N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(O)=O)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@H](CCC(O)=N)N=C(O)[C@H](C)N=C(O)[C@H](CCSC)N=C(O)[C@H](CCC(O)=N)N=C(O)[C@H](CCC(O)=O)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(O)=N)N=C(O)[C@H](CC(O)=O)N=C(O)CN=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(O)=N[C@@H](CC(O)=N)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H]([C@@H](C)O)C(O)=N[C@@H](CCCNC(N)=N)C(O)=N[C@@H](CCC(O)=N)C(O)=N[C@@H](CCCNC(N)=N)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(O)=N 347827706 DB05046 V1003 BE0000770 OPRM1 P35372 OPRM_HUMAN Investigational 347909911 DB05047 CX-717 BE0000640 GRIA1 P42261 GRIA1_HUMAN Illicit; Investigational Benzoxadiazoles Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles O=C(N1CCOCC1)C1=CC2=NON=C2C=C1 347909912 CX717 DB05047 CX-717 BE0000829 GRIA2 P42262 GRIA2_HUMAN Illicit; Investigational Benzoxadiazoles Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles O=C(N1CCOCC1)C1=CC2=NON=C2C=C1 347909912 CX717 DB05047 CX-717 BE0000831 GRIA3 P42263 GRIA3_HUMAN Illicit; Investigational Benzoxadiazoles Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles O=C(N1CCOCC1)C1=CC2=NON=C2C=C1 347909912 CX717 DB05050 ADL5859 BE0000420 OPRD1 P41143 OPRD_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring; Benzoates; Acids, Carbocyclic; Receptors, Opioid, delta; Amides; Benzene Derivatives; Pyrans" 347909914 DB05052 MF101 BE0000792 ESR2 Q92731 ESR2_HUMAN Investigational 347909916 DB05064 INCB13739 BE0000329 HSD11B1 P28845 DHI1_HUMAN Investigational "11-beta-Hydroxysteroid Dehydrogenase Type 1, antagonists & inhibitors; Sulfones; Sulfur Compounds; Amides" 347909924 DB05069 ATG003 BE0002343 CHRNA9 Q9UGM1 ACHA9_HUMAN Investigational 347909926 DB05070 ADX10059 BE0001192 GRM5 P41594 GRM5_HUMAN Investigational 347909927 DB05072 AV608 BE0000384 TACR1 P25103 NK1R_HUMAN Investigational 347909929 DB05075 TG-100801 BE0000029 FLT1 P17948 VGFR1_HUMAN Investigational Depsides and depsidones Organic compounds; Phenylpropanoids and polyketides; Depsides and depsidones Benzene Derivatives CC1=C2N=C(NC3=CC=C(OCCN4CCCC4)C=C3)N=NC2=CC(=C1)C1=CC(OC(=O)C2=CC=CC=C2)=CC=C1Cl 347827709 CHEMBL403989 DB05075 TG-100801 BE0001356 CSK P41240 CSK_HUMAN Investigational Depsides and depsidones Organic compounds; Phenylpropanoids and polyketides; Depsides and depsidones Benzene Derivatives CC1=C2N=C(NC3=CC=C(OCCN4CCCC4)C=C3)N=NC2=CC(=C1)C1=CC(OC(=O)C2=CC=CC=C2)=CC=C1Cl 347827709 CHEMBL403989 DB05077 SLV319 BE0000061 CNR1 P21554 CNR1_HUMAN Investigational "Receptor, Cannabinoid, CB1, antagonists & inhibitors; Sulfones; Cannabinoids and similars; Sulfur Compounds; Amides; Agents producing tachycardia; Cannabinoid Receptor Antagonists" 347909931 SLV319 DB05079 HY10275 BE0000442 HRH1 P35367 HRH1_HUMAN Investigational 347909933 DB05080 OBE101 BE0000442 HRH1 P35367 HRH1_HUMAN Investigational 347909934 DB05088 Tetrathiomolybdate BE0003392 APP P05067 A4_HUMAN 15681799 "Venti A, Giordano T, Eder P, Bush AI, Lahiri DK, Greig NH, Rogers JT: The integrated role of desferrioxamine and phenserine targeted to an iron-responsive element in the APP-mRNA 5'-untranslated region. Ann N Y Acad Sci. 2004 Dec;1035:34-48." Investigational "Growth Inhibitors; Adenosine Triphosphatases, antagonists & inhibitors; Metals; Chelating Agents; Enzyme Inhibitors; Angiogenesis Modulating Agents; Elements; Growth Substances; Transition Elements; Sequestering Agents; Metals, Heavy; Antineoplastic Agents; Compounds used in a research, industrial, or household setting" [S-][Mo]([S-])(=S)=S 175426941 Tetrathiomolybdate DB05092 CDP323 BE0000590 ITGA4 P13612 ITA4_HUMAN Investigational "Amino Acids; Integrin alpha4; Heterocyclic Compounds, Fused-Ring; Amino Acids, Cyclic; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic" 347909941 CDP323 DB05096 LY2140023 BE0002342 GRM3 Q14832 GRM3_HUMAN Investigational "Amino Acids, Peptides, and Proteins" 347909943 LY2140023 DB05098 Leptin BE0003376 LEPR P48357 LEPR_HUMAN Investigational "Biological Factors; Intercellular Signaling Peptides and Proteins; Peptide Hormones; Adipokines; Peptides; Proteins; Amino Acids, Peptides, and Proteins; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 347909945 Leptin 1441651 DB05101 Matuzumab BE0000767 EGFR P00533 EGFR_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 347909947 Matuzumab DB05103 AN-9 BE0000246 BCL2 P10415 BCL2_HUMAN downregulator 11380606 "Rabizadeh E, Bairey O, Aviram A, Ben-Dror I, Shaklai M, Zimra Y: Doxorubicin and a butyric acid derivative effectively reduce levels of BCL-2 protein in the cells of chronic lymphocytic leukemia patient. Eur J Haematol. 2001 Apr;66(4):263-71. doi: 10.1034/j.1600-0609.2001.066004263.x." Investigational Fatty acid esters Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters "Fatty Acids, Volatile; Lipids; Acids, Acyclic; Fatty Acids" CCCC(=O)OCOC(=O)C(C)(C)C 347827710 CHEMBL100014 DB05103 AN-9 BE0003460 CASP8 Q14790 CASP8_HUMAN regulator 16373710 "Entin-Meer M, Rephaeli A, Yang X, Nudelman A, VandenBerg SR, Haas-Kogan DA: Butyric acid prodrugs are histone deacetylase inhibitors that show antineoplastic activity and radiosensitizing capacity in the treatment of malignant gliomas. Mol Cancer Ther. 2005 Dec;4(12):1952-61. doi: 10.1158/1535-7163.MCT-05-0087." Investigational Fatty acid esters Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters "Fatty Acids, Volatile; Lipids; Acids, Acyclic; Fatty Acids" CCCC(=O)OCOC(=O)C(C)(C)C 347827710 CHEMBL100014 DB05107 16-Bromoepiandrosterone BE0001089 G6PD P11413 G6PD_HUMAN Investigational Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Fused-Ring Compounds; Gonadal Steroid Hormones; Adrenal Cortex Hormones; Gonadal Hormones; Ketosteroids; Androstanols; Androstanes; 17-Ketosteroids; Steroids; Testosterone Congeners; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H](Br)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C 175426947 CHEMBL445472 DB05115 NN344 BE0000033 INSR P06213 INSR_HUMAN Investigational "Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Insulin, Long-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 347909955 DB05119 Rilapladib BE0002409 PLA2G7 Q13093 PAFA_HUMAN Investigational Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives "Heterocyclic Compounds, Fused-Ring; Acids, Acyclic; Amides; Quinolines; Acetates" COCCN1CCC(CC1)N(CC1=CC=C(C=C1)C1=CC=C(C=C1)C(F)(F)F)C(=O)CN1C(SCC2=C(F)C(F)=CC=C2)=CC(=O)C2=C1C=CC=C2 347827712 CHEMBL2104981 DB05120 AT1391 BE0000033 INSR P06213 INSR_HUMAN Investigational 347909958 DB05121 1D09C3 BE0004790 HLA-DRA P01911 2B1F_HUMAN 16452241 "Carlo-Stella C, Di Nicola M, Turco MC, Cleris L, Lavazza C, Longoni P, Milanesi M, Magni M, Ammirante M, Leone A, Nagy Z, Gioffre WR, Formelli F, Gianni AM: The anti-human leukocyte antigen-DR monoclonal antibody 1D09C3 activates the mitochondrial cell death pathway and exerts a potent antitumor activity in lymphoma-bearing nonobese diabetic/severe combined immunodeficient mice. Cancer Res. 2006 Feb 1;66(3):1799-808." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" 347909959 DB05122 R1295 BE0000590 ITGA4 P13612 ITA4_HUMAN Investigational 347909960 DB05122 R1295 BE0003414 ITGB7 P26010 ITB7_HUMAN Investigational 347909960 DB05129 Elsamitrucin BE0000971 TOP1 P11387 TOP1_HUMAN Investigational Naphthopyranone glycosides Organic compounds; Organoheterocyclic compounds; Naphthopyrans; Naphthopyranones "Glycosides; Carbohydrates; Antibiotics, Antineoplastic; Antineoplastic Agents" CO[C@@H]1[C@@H](N)[C@@H](O[C@H]2[C@H](OC3=CC=CC4=C3C3=C5C(C(=O)OC6=C5C(=C(C)C=C6)C(=O)O3)=C4O)O[C@H](C)[C@H](O)[C@]2(C)O)O[C@H](C)[C@@H]1O 175426950 Elsamitrucin CHEMBL2106409 DB05129 Elsamitrucin BE0000742 TOP2A P11388 TOP2A_HUMAN Investigational Naphthopyranone glycosides Organic compounds; Organoheterocyclic compounds; Naphthopyrans; Naphthopyranones "Glycosides; Carbohydrates; Antibiotics, Antineoplastic; Antineoplastic Agents" CO[C@@H]1[C@@H](N)[C@@H](O[C@H]2[C@H](OC3=CC=CC4=C3C3=C5C(C(=O)OC6=C5C(=C(C)C=C6)C(=O)O3)=C4O)O[C@H](C)[C@H](O)[C@]2(C)O)O[C@H](C)[C@@H]1O 175426950 Elsamitrucin CHEMBL2106409 DB05130 INCB3284 BE0003387 CCR2 P41597 CCR2_HUMAN Investigational "Amino Acids; Benzoates; Acids, Carbocyclic; Amides; Benzene Derivatives; Amino Acids, Peptides, and Proteins" 347909965 DB05134 Tanespimycin BE0001120 HSP90AA1 P07900 HS90A_HUMAN Investigational Macrolactams Organic compounds; Phenylpropanoids and polyketides; Macrolactams "Quinones; Protein-Serine-Threonine Kinases, antagonists & inhibitors; Lactams; HSP90 Heat-Shock Proteins, antagonists & inhibitors; Amides" [H]/C1=C([H])/[C@]([H])(OC)[C@@]([H])(OC(O)=N)C(C)=C([H])[C@]([H])(C)[C@@]([H])(O)[C@]([H])(C[C@]([H])(C)CC2=C(NCC=C)C(=O)C=C(N=C(O)\C(C)=C\1/[H])C2=O)OC 347827713 Tanespimycin CHEMBL109480 DB05134 Tanespimycin BE0001898 HSP90AB1 P08238 HS90B_HUMAN Investigational Macrolactams Organic compounds; Phenylpropanoids and polyketides; Macrolactams "Quinones; Protein-Serine-Threonine Kinases, antagonists & inhibitors; Lactams; HSP90 Heat-Shock Proteins, antagonists & inhibitors; Amides" [H]/C1=C([H])/[C@]([H])(OC)[C@@]([H])(OC(O)=N)C(C)=C([H])[C@]([H])(C)[C@@]([H])(O)[C@]([H])(C[C@]([H])(C)CC2=C(NCC=C)C(=O)C=C(N=C(O)\C(C)=C\1/[H])C2=O)OC 347827713 Tanespimycin CHEMBL109480 DB05137 Lobeline BE0002343 CHRNA9 Q9UGM1 ACHA9_HUMAN Investigational Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Cholinergic Agonists; Piperidines; Ganglionic Stimulants; Nicotinic Agonists; Neurotransmitter Agents; Alkaloids; Cholinergic Agents; Respiratory System Agents; Peripheral Nervous System Agents; Autonomic Agents CN1[C@H](C[C@H](O)C2=CC=CC=C2)CCC[C@@H]1CC(=O)C1=CC=CC=C1 175426951 D02364 Lobeline CHEMBL122270 6464 DB05139 CR002 BE0003411 PDGFD Q9GZP0 PDGFD_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 347909972 DB05141 LY2181308 BE0003408 BIRC5 O15392 BIRC5_HUMAN Investigational "Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Polynucleotides" 347909974 LY2181308 DB05142 ND7001 BE0002085 PDE2A O00408 PDE2A_HUMAN Investigational 347909975 DB05146 XL820 BE0000453 KIT P10721 KIT_HUMAN Investigational 347909978 DB05147 CYT997 BE0001388 TUBA1C Q9BQE3 TBA1C_HUMAN Investigational 347909979 DB05147 CYT997 BE0000026 TUBB1 Q9H4B7 TBB1_HUMAN Investigational 347909979 DB05147 CYT997 BE0001367 TUBB4B P68371 TBB4B_HUMAN Investigational 347909979 DB05149 XL844 BE0003381 CHEK2 O96017 CHK2_HUMAN Investigational 347909981 DB05149 XL844 BE0003382 CHEK1 O14757 CHK1_HUMAN Investigational 347909981 DB05150 CAD106 BE0003392 APP P05067 A4_HUMAN Investigational 347909982 DB05157 KC706 BE0001019 MAPK14 Q16539 MK14_HUMAN Investigational 347909986 DB05157 KC706 BE0002790 MAPK12 P53778 MK12_HUMAN Investigational 347909986 DB05159 CCX915 BE0003387 CCR2 P41597 CCR2_HUMAN Investigational 347909988 DB05165 LY2275796 BE0000957 EIF4E P06730 IF4E_HUMAN Investigational "Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Polynucleotides" 347909993 DB05168 Vintafolide BE0000652 FOLR3 P41439 FOLR3_HUMAN Investigational Vinca alkaloids Organic compounds; Alkaloids and derivatives; Vinca alkaloids "Secologanin Tryptamine Alkaloids; Pteridines; Antineoplastic and Immunomodulating Agents; Vinca Alkaloids; Heterocyclic Compounds, Fused-Ring; Indolizidines; Indole Alkaloids; Pterins; Alkaloids; Indolizines; Indoles; Antineoplastic Agents" [H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(=O)NNC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CNC3=NC(N)=NC(=O)C3=N2)C=C1)C(O)=O)C(O)=O)[C@]1(C[C@@]2([H])C[N@](C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC 347827715 EC145 CHEMBL3039521 DB05169 AT9283 BE0000991 AURKA O14965 AURKA_HUMAN Investigational "Amides; Protein Kinase Inhibitors; Heterocyclic Compounds, Fused-Ring" OC(NC1=CNN=C1C1=NC2=C(N1)C=CC(CN1CCOCC1)=C2)=NC1CC1 347909996 Aurora_inhibitors CHEMBL495727 DB05169 AT9283 BE0003404 AURKB Q96GD4 AURKB_HUMAN Investigational "Amides; Protein Kinase Inhibitors; Heterocyclic Compounds, Fused-Ring" OC(NC1=CNN=C1C1=NC2=C(N1)C=CC(CN1CCOCC1)=C2)=NC1CC1 347909996 Aurora_inhibitors CHEMBL495727 DB05171 E-2012 BE0003409 APH1A Q96BI3 APH1A_HUMAN Investigational Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles Enzyme Inhibitors; Gamma Secretase Inhibitors and Modulators; Amyloid Precursor Protein Secretases [H]\C(C1=CC(OC)=C(C=C1)N1C=NC(C)=C1)=C1\CCCN(C1=O)[C@@]([H])(C)C1=CC=C(F)C=C1 175426954 CHEMBL1224151 DB05177 DG051 BE0001680 LTA4H P09960 LKHA4_HUMAN Investigational 347910001 DB05183 MLN0415 BE0001154 IKBKB O14920 IKKB_HUMAN Investigational 347910007 DB05184 XL228 BE0000858 IGF1R P08069 IGF1R_HUMAN Investigational 347910008 DB05184 XL228 BE0000838 SRC P12931 SRC_HUMAN Investigational 347910008 DB05184 XL228 BE0000014 ABL1 P00519 ABL1_HUMAN Investigational 347910008 DB05184 XL228 BE0000435 ABL2 P42684 ABL2_HUMAN Investigational 347910008 DB05187 Elafibranor BE0000071 PPARA Q07869 PPARA_HUMAN Investigational Retrochalcones "Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones" "Fatty Acids, Volatile; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Ketones; Lipids; Propiophenones; Acids, Acyclic; Fatty Acids; PPAR delta, agonists; Pyrans; PPAR alpha, agonists; Flavonoids" CSC1=CC=C(C=C1)C(=O)\C=C\C1=CC(C)=C(OC(C)(C)C(O)=O)C(C)=C1 347827716 Elafibranor CHEMBL3707395 DB05187 Elafibranor BE0001007 PPARD Q03181 PPARD_HUMAN Investigational Retrochalcones "Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones" "Fatty Acids, Volatile; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Ketones; Lipids; Propiophenones; Acids, Acyclic; Fatty Acids; PPAR delta, agonists; Pyrans; PPAR alpha, agonists; Flavonoids" CSC1=CC=C(C=C1)C(=O)\C=C\C1=CC(C)=C(OC(C)(C)C(O)=O)C(C)=C1 347827716 Elafibranor CHEMBL3707395 DB05187 Elafibranor BE0000215 PPARG P37231 PPARG_HUMAN Investigational Retrochalcones "Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones" "Fatty Acids, Volatile; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Ketones; Lipids; Propiophenones; Acids, Acyclic; Fatty Acids; PPAR delta, agonists; Pyrans; PPAR alpha, agonists; Flavonoids" CSC1=CC=C(C=C1)C(=O)\C=C\C1=CC(C)=C(OC(C)(C)C(O)=O)C(C)=C1 347827716 Elafibranor CHEMBL3707395 DB05188 KD3010 BE0001007 PPARD Q03181 PPARD_HUMAN Investigational "Sulfones; Sulfur Compounds; Amides; PPAR delta, antagonists & inhibitors" CC1=CC=C(C=C1)S(O)(=O)=O.[H]C1(CC2=C(C1)C(=CC=C2)S(=O)(=O)N1[C@@]([H])(C)CN(C[C@@]1([H])C)C1=CC=C(OC(F)(F)F)C=C1)C(O)=O 347910010 DB05190 XL281 BE0000634 BRAF P15056 BRAF_HUMAN Investigational 347910012 DB05190 XL281 BE0000036 RAF1 P04049 RAF1_HUMAN Investigational 347910012 DB05191 Atl146e BE0000924 ADORA2A P29274 AA2AR_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring; Cycloparaffins; Acids, Carbocyclic; Cyclohexanes; Adenosine A2 Receptor Agonists; Adenosine A receptor agonists" 347910013 DB05192 MB07811 BE0000315 THRB P10828 THB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Organophosphorus Compounds 347910014 DB05194 KB002 BE0000628 CSF2RA P15509 CSF2R_HUMAN Investigational 347910015 DB05198 CYC116 BE0000991 AURKA O14965 AURKA_HUMAN Investigational Sulfur Compounds; Protein Kinase Inhibitors 347910018 DB05199 LX1031 BE0000121 TPH1 P17752 TPH1_HUMAN Investigational "Amino Acids; Amino Acids, Cyclic; Tryptophan Hydroxylase, antagonists & inhibitors; Benzene Derivatives; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic" 347910019 DB05200 AT2220 BE0000876 GAA P10253 LYAG_HUMAN Investigational 347910020 DB05201 V24343 BE0000061 CNR1 P21554 CNR1_HUMAN Investigational 347910021 DB05202 Egaptivon pegol BE0001043 VWF P04275 VWF_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Polynucleotides; Oligonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pegylated agents" 347910022 DB05203 SPP1148 BE0000270 REN P00797 RENI_HUMAN Investigational 347910023 DB05203 SPP1148 BE0000982 ACE2 Q9BYF1 ACE2_HUMAN Investigational 347910023 DB05204 XL418 BE0001284 BTK Q06187 BTK_HUMAN inhibitor 34209188 "Kaliamurthi S, Selvaraj G, Selvaraj C, Singh SK, Wei DQ, Peslherbe GH: Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19. Int J Mol Sci. 2021 Jun 30;22(13). pii: ijms22137071. doi: 10.3390/ijms22137071." Investigational 347910024 DB05210 SF1126 BE0000955 PIK3R1 P27986 P85A_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring; Benzopyrans; Peptides; Pyrans; Amino Acids, Peptides, and Proteins" 347910028 DB05210 SF1126 BE0002383 PIK3R2 O00459 P85B_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring; Benzopyrans; Peptides; Pyrans; Amino Acids, Peptides, and Proteins" 347910028 DB05210 SF1126 BE0002384 PIK3R3 Q92569 P55G_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring; Benzopyrans; Peptides; Pyrans; Amino Acids, Peptides, and Proteins" 347910028 DB05210 SF1126 BE0002385 PRKDC P78527 PRKDC_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring; Benzopyrans; Peptides; Pyrans; Amino Acids, Peptides, and Proteins" 347910028 DB05210 SF1126 BE0002386 MTOR P42345 MTOR_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring; Benzopyrans; Peptides; Pyrans; Amino Acids, Peptides, and Proteins" 347910028 DB05212 HE3286 BE0001086 NFKB1 P19838 NFKB1_HUMAN Investigational Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Fused-Ring Compounds; Androstenols; Gonadal Steroid Hormones; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Gonadal Hormones; Ketosteroids; Cytochrome P-450 CYP3A Substrates; Androstanes; 17-Ketosteroids; Cytochrome P-450 CYP3A4 Substrates; Steroids; Androstenes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C=C2C[C@@H](O)CC[C@]12C 347827717 DB05214 KD7040 BE0000005 NOS2 P35228 NOS2_HUMAN Investigational 347910030 DB05217 GMX1777 BE0002413 NAMPT P43490 NAMPT_HUMAN inhibitor 21144000 "Olesen UH, Petersen JG, Garten A, Kiess W, Yoshino J, Imai S, Christensen MK, Fristrup P, Thougaard AV, Bjorkling F, Jensen PB, Nielsen SJ, Sehested M: Target enzyme mutations are the molecular basis for resistance towards pharmacological inhibition of nicotinamide phosphoribosyltransferase. BMC Cancer. 2010 Dec 12;10:677. doi: 10.1186/1471-2407-10-677." Investigational Amidines 347910031 DB05219 Crisaborole BE0001133 PDE4A P27815 PDE4A_HUMAN inhibitor 22841723 "Freund YR, Akama T, Alley MR, Antunes J, Dong C, Jarnagin K, Kimura R, Nieman JA, Maples KR, Plattner JJ, Rock F, Sharma R, Singh R, Sanders V, Zhou Y: Boron-based phosphodiesterase inhibitors show novel binding of boron to PDE4 bimetal center. FEBS Lett. 2012 Sep 21;586(19):3410-4. doi: 10.1016/j.febslet.2012.07.058. Epub 2012 Jul 25." Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (moderate); Phosphodiesterase 4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (weak); Anti-Inflammatory Agents; Cytochrome P-450 Enzyme Inhibitors; Agents for Dermatitis, Excluding Corticosteroids; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Dermatologicals; Cytochrome P-450 CYP2C9 Inhibitors; Phosphodiesterase Inhibitors" OB1OCC2=C1C=CC(OC1=CC=C(C=C1)C#N)=C2 22959 175426957 D10873 Crisaborole CHEMBL484785 1865953 DB05219 Crisaborole BE0000487 PDE4B Q07343 PDE4B_HUMAN inhibitor 22841723 "Freund YR, Akama T, Alley MR, Antunes J, Dong C, Jarnagin K, Kimura R, Nieman JA, Maples KR, Plattner JJ, Rock F, Sharma R, Singh R, Sanders V, Zhou Y: Boron-based phosphodiesterase inhibitors show novel binding of boron to PDE4 bimetal center. FEBS Lett. 2012 Sep 21;586(19):3410-4. doi: 10.1016/j.febslet.2012.07.058. Epub 2012 Jul 25." Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (moderate); Phosphodiesterase 4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (weak); Anti-Inflammatory Agents; Cytochrome P-450 Enzyme Inhibitors; Agents for Dermatitis, Excluding Corticosteroids; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Dermatologicals; Cytochrome P-450 CYP2C9 Inhibitors; Phosphodiesterase Inhibitors" OB1OCC2=C1C=CC(OC1=CC=C(C=C1)C#N)=C2 22959 175426957 D10873 Crisaborole CHEMBL484785 1865953 DB05219 Crisaborole BE0001287 PDE4D Q08499 PDE4D_HUMAN inhibitor 22841723 "Freund YR, Akama T, Alley MR, Antunes J, Dong C, Jarnagin K, Kimura R, Nieman JA, Maples KR, Plattner JJ, Rock F, Sharma R, Singh R, Sanders V, Zhou Y: Boron-based phosphodiesterase inhibitors show novel binding of boron to PDE4 bimetal center. FEBS Lett. 2012 Sep 21;586(19):3410-4. doi: 10.1016/j.febslet.2012.07.058. Epub 2012 Jul 25." Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (moderate); Phosphodiesterase 4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (weak); Anti-Inflammatory Agents; Cytochrome P-450 Enzyme Inhibitors; Agents for Dermatitis, Excluding Corticosteroids; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Dermatologicals; Cytochrome P-450 CYP2C9 Inhibitors; Phosphodiesterase Inhibitors" OB1OCC2=C1C=CC(OC1=CC=C(C=C1)C#N)=C2 22959 175426957 D10873 Crisaborole CHEMBL484785 1865953 DB05220 Alisertib BE0000991 AURKA O14965 AURKA_HUMAN inhibitor 26732741 "de Groot CO, Hsia JE, Anzola JV, Motamedi A, Yoon M, Wong YL, Jenkins D, Lee HJ, Martinez MB, Davis RL, Gahman TC, Desai A, Shiau AK: A Cell Biologist's Field Guide to Aurora Kinase Inhibitors. Front Oncol. 2015 Dec 21;5:285. doi: 10.3389/fonc.2015.00285. eCollection 2015." Investigational Benzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines Protein Kinase Inhibitors COC1=CC(NC2=NC=C3CN=C(C4=CC(Cl)=CC=C4C3=N2)C2=C(OC)C=CC=C2F)=CC=C1C(O)=O 347827718 PA166165015 Alisertib CHEMBL483158 DB05223 Pracinostat BE0002365 HDAC1 Q13547 HDAC1_HUMAN Investigational Cinnamic acids and derivatives Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives "Heterocyclic Compounds, Fused-Ring; QTc Prolonging Agents; Histone Deacetylase Inhibitors; Moderate Risk QTc-Prolonging Agents; Antineoplastic Agents" CCCCC1=NC2=C(C=CC(\C=C\C(=O)NO)=C2)N1CCN(CC)CC 347827719 Pracinostat CHEMBL1851943 DB05223 Pracinostat BE0002366 HDAC2 Q92769 HDAC2_HUMAN Investigational Cinnamic acids and derivatives Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives "Heterocyclic Compounds, Fused-Ring; QTc Prolonging Agents; Histone Deacetylase Inhibitors; Moderate Risk QTc-Prolonging Agents; Antineoplastic Agents" CCCCC1=NC2=C(C=CC(\C=C\C(=O)NO)=C2)N1CCN(CC)CC 347827719 Pracinostat CHEMBL1851943 DB05232 Tetrodotoxin BE0002081 SCN2A Q99250 SCN2A_HUMAN 17663442 "Sage D, Salin P, Alcaraz G, Castets F, Giraud P, Crest M, Mazet B, Clerc N: Na(v)1.7 and Na(v)1.3 are the only tetrodotoxin-sensitive sodium channels expressed by the adult guinea pig enteric nervous system. J Comp Neurol. 2007 Oct 1;504(4):363-78." Investigational Tetrodotoxins Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Sodium Channel Blockers; Sensory System Agents; Noxae; Poisons; Cardiovascular Agents; Marine Toxins; Central Nervous System Depressants; Toxins, Biological; Anesthetics; Membrane Transport Modulators; Biological Factors; Anesthetics, Local; Heterocyclic Compounds, Fused-Ring; Peripheral Nervous System Agents; Compounds used in a research, industrial, or household setting; Central Nervous System Agents; Toxic Actions; Quinazolines" [H][C@]12OC3([O-])OC(C4C(O)[NH+]=C(N)NC4(C1O)[C@@H]3O)C2(O)CO 175426959 Tetrodotoxin DB05232 Tetrodotoxin BE0002082 SCN3A Q9NY46 SCN3A_HUMAN 17663442 "Sage D, Salin P, Alcaraz G, Castets F, Giraud P, Crest M, Mazet B, Clerc N: Na(v)1.7 and Na(v)1.3 are the only tetrodotoxin-sensitive sodium channels expressed by the adult guinea pig enteric nervous system. J Comp Neurol. 2007 Oct 1;504(4):363-78." Investigational Tetrodotoxins Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Sodium Channel Blockers; Sensory System Agents; Noxae; Poisons; Cardiovascular Agents; Marine Toxins; Central Nervous System Depressants; Toxins, Biological; Anesthetics; Membrane Transport Modulators; Biological Factors; Anesthetics, Local; Heterocyclic Compounds, Fused-Ring; Peripheral Nervous System Agents; Compounds used in a research, industrial, or household setting; Central Nervous System Agents; Toxic Actions; Quinazolines" [H][C@]12OC3([O-])OC(C4C(O)[NH+]=C(N)NC4(C1O)[C@@H]3O)C2(O)CO 175426959 Tetrodotoxin DB05232 Tetrodotoxin BE0002084 SCN8A Q9UQD0 SCN8A_HUMAN 17663442 "Sage D, Salin P, Alcaraz G, Castets F, Giraud P, Crest M, Mazet B, Clerc N: Na(v)1.7 and Na(v)1.3 are the only tetrodotoxin-sensitive sodium channels expressed by the adult guinea pig enteric nervous system. J Comp Neurol. 2007 Oct 1;504(4):363-78." Investigational Tetrodotoxins Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Sodium Channel Blockers; Sensory System Agents; Noxae; Poisons; Cardiovascular Agents; Marine Toxins; Central Nervous System Depressants; Toxins, Biological; Anesthetics; Membrane Transport Modulators; Biological Factors; Anesthetics, Local; Heterocyclic Compounds, Fused-Ring; Peripheral Nervous System Agents; Compounds used in a research, industrial, or household setting; Central Nervous System Agents; Toxic Actions; Quinazolines" [H][C@]12OC3([O-])OC(C4C(O)[NH+]=C(N)NC4(C1O)[C@@H]3O)C2(O)CO 175426959 Tetrodotoxin DB05233 AP1081 BE0000123 ESR1 P03372 ESR1_HUMAN Investigational 347910040 DB05234 LGD2941 BE0000132 AR P10275 ANDR_HUMAN Investigational Aminoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Quinolines; Heterocyclic Compounds, Fused-Ring" C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1C1=CC2=C(NC(=O)C=C2C(F)(F)F)C=C1 175426960 CHEMBL467888 DB05235 NRP409 BE0000104 CRYM Q14894 CRYM_HUMAN Investigational 347910041 DB05235 NRP409 BE0000687 THRA P10827 THA_HUMAN Investigational 347910041 DB05239 Cobimetinib BE0000870 MAP2K1 Q02750 MP2K1_HUMAN inhibitor 26384788 "Singh A, Ruan Y, Tippett T, Narendran A: Targeted inhibition of MEK1 by cobimetinib leads to differentiation and apoptosis in neuroblastoma cells. J Exp Clin Cancer Res. 2015 Sep 18;34:104. doi: 10.1186/s13046-015-0222-x." Approved; Investigational Anthranilamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; Mitogen-activated protein kinase (MEK) inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); MAP Kinase Kinase 1, antagonists & inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT2B7 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" OC1(CN(C1)C(=O)C1=C(NC2=C(F)C=C(I)C=C2)C(F)=C(F)C=C1)[C@@H]1CCCCN1 22695 310264856 D10405 PA166160044 Cobimetinib CHEMBL2146883 1722365 DB05241 XL765 BE0002379 PIK3CA P42336 PK3CA_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring; Sulfones; Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Sulfur Compounds; Amides" 347910044 DB05241 XL765 BE0001315 PIK3CG P48736 PK3CG_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring; Sulfones; Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Sulfur Compounds; Amides" 347910044 DB05241 XL765 BE0002406 PIK3CD O00329 PK3CD_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring; Sulfones; Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Sulfur Compounds; Amides" 347910044 DB05241 XL765 BE0002407 PIK3CB P42338 PK3CB_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring; Sulfones; Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Sulfur Compounds; Amides" 347910044 DB05241 XL765 BE0002386 MTOR P42345 MTOR_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring; Sulfones; Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Sulfur Compounds; Amides" 347910044 DB05243 XL019 BE0002408 JAK2 O60674 JAK2_HUMAN Investigational 347910046 DB05249 FavId BE0000793 CSF3R Q99062 CSF3R_HUMAN Investigational 347910048 DB05252 Fenoxaprop-ethyl BE0000005 NOS2 P35228 NOS2_HUMAN Investigational 2-phenoxypropionic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acid esters "Fatty Acids, Volatile; Herbicides; Lipids; Pesticides; Agrochemicals; Acids, Acyclic; Fatty Acids; Toxic Actions; Compounds used in a research, industrial, or household setting" CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1 175426962 CHEMBL37932 DB05253 Telapristone acetate BE0000557 PGR P06401 PRGR_HUMAN Investigational Fused-Ring Compounds; Norpregnanes; Norsteroids; Steroids [H][C@@]12CC[C@](OC(C)=O)(C(=O)COC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] 347910049 Proellex CHEMBL2105694 DB05258 Interferon alfa BE0000661 IFNAR1 P17181 INAR1_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Immunosuppressive Agents; Anti-Infective Agents; Myelosuppressive Agents; Antiviral Agents; Biological Factors; Intercellular Signaling Peptides and Proteins; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Peptides; Interferon Type I; Cytochrome P-450 CYP1A2 Inhibitors; Cytokines; Proteins; Interferons; Interferon-alpha; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" 347910052 Interferon DB05259 Glatiramer BE0002416 HLA-DRB1 P01911 2B1F_HUMAN binder 15371592; 9574543 "Arnon R, Aharoni R: Mechanism of action of glatiramer acetate in multiple sclerosis and its potential for the development of new applications. Proc Natl Acad Sci U S A. 2004 Oct 5;101 Suppl 2:14593-8. Epub 2004 Sep 15.@@Fridkis-Hareli M, Strominger JL: Promiscuous binding of synthetic copolymer 1 to purified HLA-DR molecules. J Immunol. 1998 May 1;160(9):4386-97." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Immunomodulatory Agents; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunologic Factors; Peptides; Adjuvants, Immunologic; Proteins; Amino Acids, Peptides, and Proteins" 11533 46505299 PA449760 DAP001315 Glatiramer_acetate CHEMBL1201507 214582 DB05259 Glatiramer BE0009777 HLA-DRB1 P01911 2B1F_HUMAN binder 9574543 "Fridkis-Hareli M, Strominger JL: Promiscuous binding of synthetic copolymer 1 to purified HLA-DR molecules. J Immunol. 1998 May 1;160(9):4386-97." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Immunomodulatory Agents; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunologic Factors; Peptides; Adjuvants, Immunologic; Proteins; Amino Acids, Peptides, and Proteins" 11533 46505299 PA449760 DAP001315 Glatiramer_acetate CHEMBL1201507 214582 DB05259 Glatiramer BE0009774 HLA-DRB1 P01911 2B1F_HUMAN binder 9574543 "Fridkis-Hareli M, Strominger JL: Promiscuous binding of synthetic copolymer 1 to purified HLA-DR molecules. J Immunol. 1998 May 1;160(9):4386-97." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Immunomodulatory Agents; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunologic Factors; Peptides; Adjuvants, Immunologic; Proteins; Amino Acids, Peptides, and Proteins" 11533 46505299 PA449760 DAP001315 Glatiramer_acetate CHEMBL1201507 214582 DB05260 Gallium nitrate BE0003813 ATP6V1B2 P21281 VATB2_HUMAN inhibitor 12776254; 15206110 "Bockman R: The effects of gallium nitrate on bone resorption. Semin Oncol. 2003 Apr;30(2 Suppl 5):5-12.@@Jakupec MA, Keppler BK: Gallium and other main group metal compounds as antitumor agents. Met Ions Biol Syst. 2004;42:425-62." Approved; Investigational Post-transition metal nitrates Inorganic compounds; Mixed metal/non-metal compounds; Post-transition metal oxoanionic compounds; Post-transition metal nitrates "Immunosuppressive Agents; Metals; Elements; Calcium-Regulating Hormones and Agents; Bone Resorption Inhibition; Calcium Resorption Inhibitor; Narrow Therapeutic Index Drugs; Metals, Heavy; Antineoplastic Agents" [Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O 46508923 PA164781198 DAP001096 Gallium_nitrate CHEMBL1200983 25544 DB05262 Oxypurinol BE0002204 XDH P47989 XDH_HUMAN 16135657; 16214034 "Iwanaga T, Kobayashi D, Hirayama M, Maeda T, Tamai I: Involvement of uric acid transporter in increased renal clearance of the xanthine oxidase inhibitor oxypurinol induced by a uricosuric agent, benzbromarone. Drug Metab Dispos. 2005 Dec;33(12):1791-5. Epub 2005 Aug 31.@@Baldus S, Koster R, Chumley P, Heitzer T, Rudolph V, Ostad MA, Warnholtz A, Staude HJ, Thuneke F, Koss K, Berger J, Meinertz T, Freeman BA, Munzel T: Oxypurinol improves coronary and peripheral endothelial function in patients with coronary artery disease. Free Radic Biol Med. 2005 Nov 1;39(9):1184-90. Epub 2005 Aug 10." Investigational Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives Enzyme Inhibitors; Pyrazoles; Xanthine Oxidase Inhibitors; Pyrimidines O=C1NC2=C(C=NN2)C(=O)N1 175426963 D02365 Oxipurinol CHEMBL859 DB05264 NPI 32101 BE0002115 CSF2RB P32927 IL3RB_HUMAN 17436088 "Bhol KC, Schechter PJ: Effects of nanocrystalline silver (NPI 32101) in a rat model of ulcerative colitis. Dig Dis Sci. 2007 Oct;52(10):2732-42. Epub 2007 Apr 12." Investigational 347910053 DB05265 Ecabet BE0002423 NOXO1 Q8NFA2 NOXO1_HUMAN antagonist 15458921 "Kusumoto K, Kawahara T, Kuwano Y, Teshima-Kondo S, Morita K, Kishi K, Rokutan K: Ecabet sodium inhibits Helicobacter pylori lipopolysaccharide-induced activation of NADPH oxidase 1 or apoptosis of guinea pig gastric mucosal cells. Am J Physiol Gastrointest Liver Physiol. 2005 Feb;288(2):G300-7. Epub 2004 Sep 30." Investigational Diterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids "Protease Inhibitors; Anti-Ulcer Agents; Anti-Infective Agents; Anticarcinogenic Agents; Phenanthrenes; Diterpenes; Enzyme Inhibitors; Pepsin A, antagonists & inhibitors; Protective Agents; Terpenes; Gastrointestinal Agents; Antineoplastic Agents; Compounds used in a research, industrial, or household setting" [H][C@@]12CCC3=CC(C(C)C)=C(C=C3[C@@]1(C)CCC[C@@]2(C)C(O)=O)S(O)(=O)=O 99443230 D07885 PA165958350 CHEMBL2104585 DB05266 Ibudilast BE0001133 PDE4A P27815 PDE4A_HUMAN inhibitor 20124930; 21036126; 16313925 "Yagi K, Tada Y, Kitazato KT, Tamura T, Satomi J, Nagahiro S: Ibudilast inhibits cerebral aneurysms by down-regulating inflammation-related molecules in the vascular wall of rats. Neurosurgery. 2010 Mar;66(3):551-9; discussion 559. doi: 10.1227/01.NEU.0000365771.89576.77.@@Yamazaki T, Anraku T, Matsuzawa S: Ibudilast, a mixed PDE3/4 inhibitor, causes a selective and nitric oxide/cGMP-independent relaxation of the intracranial vertebrobasilar artery. Eur J Pharmacol. 2011 Jan 15;650(2-3):605-11. doi: 10.1016/j.ejphar.2010.10.033. Epub 2010 Oct 29.@@Huang Z, Liu S, Zhang L, Salem M, Greig GM, Chan CC, Natsumeda Y, Noguchi K: Preferential inhibition of human phosphodiesterase 4 by ibudilast. Life Sci. 2006 May 1;78(23):2663-8. Epub 2005 Nov 28." Investigational Pyrazolopyridines Organic compounds; Organoheterocyclic compounds; Pyrazolopyridines "Cardiovascular Agents; Leukotriene Antagonists; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Vasodilating Agents; Anti-Asthmatic Agents; Hematologic Agents; Phosphodiesterase 5 Inhibitors; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Respiratory System Agents; Peripheral Nervous System Agents; Autonomic Agents; Antiplatelet agents; Phosphodiesterase Inhibitors" CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C 99443231 PA165958351 Ibudilast CHEMBL19449 DB05266 Ibudilast BE0000487 PDE4B Q07343 PDE4B_HUMAN inhibitor 16313925 "Huang Z, Liu S, Zhang L, Salem M, Greig GM, Chan CC, Natsumeda Y, Noguchi K: Preferential inhibition of human phosphodiesterase 4 by ibudilast. Life Sci. 2006 May 1;78(23):2663-8. Epub 2005 Nov 28." Investigational Pyrazolopyridines Organic compounds; Organoheterocyclic compounds; Pyrazolopyridines "Cardiovascular Agents; Leukotriene Antagonists; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Vasodilating Agents; Anti-Asthmatic Agents; Hematologic Agents; Phosphodiesterase 5 Inhibitors; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Respiratory System Agents; Peripheral Nervous System Agents; Autonomic Agents; Antiplatelet agents; Phosphodiesterase Inhibitors" CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C 99443231 PA165958351 Ibudilast CHEMBL19449 DB05266 Ibudilast BE0001287 PDE4D Q08499 PDE4D_HUMAN inhibitor 16313925 "Huang Z, Liu S, Zhang L, Salem M, Greig GM, Chan CC, Natsumeda Y, Noguchi K: Preferential inhibition of human phosphodiesterase 4 by ibudilast. Life Sci. 2006 May 1;78(23):2663-8. Epub 2005 Nov 28." Investigational Pyrazolopyridines Organic compounds; Organoheterocyclic compounds; Pyrazolopyridines "Cardiovascular Agents; Leukotriene Antagonists; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Vasodilating Agents; Anti-Asthmatic Agents; Hematologic Agents; Phosphodiesterase 5 Inhibitors; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Respiratory System Agents; Peripheral Nervous System Agents; Autonomic Agents; Antiplatelet agents; Phosphodiesterase Inhibitors" CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C 99443231 PA165958351 Ibudilast CHEMBL19449 DB05266 Ibudilast BE0000436 PDE3A Q14432 PDE3A_HUMAN inhibitor 21036126 "Yamazaki T, Anraku T, Matsuzawa S: Ibudilast, a mixed PDE3/4 inhibitor, causes a selective and nitric oxide/cGMP-independent relaxation of the intracranial vertebrobasilar artery. Eur J Pharmacol. 2011 Jan 15;650(2-3):605-11. doi: 10.1016/j.ejphar.2010.10.033. Epub 2010 Oct 29." Investigational Pyrazolopyridines Organic compounds; Organoheterocyclic compounds; Pyrazolopyridines "Cardiovascular Agents; Leukotriene Antagonists; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Vasodilating Agents; Anti-Asthmatic Agents; Hematologic Agents; Phosphodiesterase 5 Inhibitors; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Respiratory System Agents; Peripheral Nervous System Agents; Autonomic Agents; Antiplatelet agents; Phosphodiesterase Inhibitors" CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C 99443231 PA165958351 Ibudilast CHEMBL19449 DB05268 iCo-007 BE0000036 RAF1 P04049 RAF1_HUMAN Investigational 347910054 DB05271 Rotigotine BE0000581 DRD3 P35462 DRD3_HUMAN agonist 18691132 "Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67." Approved Tetralins Organic compounds; Benzenoids; Tetralins Cytochrome P-450 CYP2D6 Inhibitors; Nonergot-derivative Dopamine Receptor Agonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP2D6 Substrates; Anti-Parkinson Drugs; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Dopamine Agonists; Serotonin Agents; Anti-Parkinson Agents (Dopamine Agonist); Naphthalenes; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Sulfur Compounds; Dopamine Agents CCCN(CCC1=CC=CS1)[C@H]1CCC2=C(O)C=CC=C2C1 12548 99443232 D05768 PA166165149 Rotigotine CHEMBL1303 616739 DB05282 MCC BE0000965 AIFM1 O95831 AIFM1_HUMAN Investigational 347910057 MCC DB05289 Tarenflurbil BE0002394 IKBKG Q9Y6K9 NEMO_HUMAN Investigational Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives "Sensory System Agents; Cyclooxygenase Inhibitors; Central Nervous System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Gamma Secretase Inhibitors and Modulators; Analgesics, Non-Narcotic; Acids, Acyclic; Antirheumatic Agents; Benzene Derivatives; Peripheral Nervous System Agents; Analgesics; Propionates; Biphenyl Compounds" C[C@@H](C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1 175426967 Tarenflurbil CHEMBL190083 DB05294 Vandetanib BE0000767 EGFR P00533 EGFR_HUMAN inhibitor Approved Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Photosensitizing Agents; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs" COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=C(F)C=C(Br)C=C3)C2=C1 21141 175426969 D06407 PA166118341 Vandetanib CHEMBL24828 1098413 DB05294 Vandetanib BE0002411 RET P07949 RET_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Photosensitizing Agents; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs" COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=C(F)C=C(Br)C=C3)C2=C1 21141 175426969 D06407 PA166118341 Vandetanib CHEMBL24828 1098413 DB05295 Eldecalcitol BE0000779 VDR P11473 VDR_HUMAN Investigational Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives Fused-Ring Compounds; Vitamins; Vitamins (Fat Soluble); Vitamin D and Analogues; Bone Density Conservation Agents; Steroids; Secosteroids [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@@H](OCCCO)[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O 175426970 Eldecalcitol DB05297 Paclitaxel docosahexaenoic acid BE0000246 BCL2 P10415 BCL2_HUMAN Investigational Taxanes and derivatives Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids Cycloparaffins; Diterpenes; Cyclodecanes; Taxoids; Terpenes CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@]3([H])[C@@](C)([C@@H](O)C[C@@]4([H])OC[C@@]34OC(=O)C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1 175426972 DHA-paclitaxel CHEMBL4297441 DB05298 Tetomilast BE0001287 PDE4D Q08499 PDE4D_HUMAN Investigational Pyridinecarboxylic acids Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives Sulfur Compounds CCOC1=C(OCC)C=C(C=C1)C1=NC(=CS1)C1=NC(=CC=C1)C(O)=O 175426973 CHEMBL332750 DB05301 LAX-101 BE0002181 PLD1 Q13393 PLD1_HUMAN Investigational 347910064 DB05311 Ecallantide BE0002440 KLKB1 P03952 KLKB1_HUMAN inhibitor 18613770 "Lehmann A: Ecallantide (DX-88), a plasma kallikrein inhibitor for the treatment of hereditary angioedema and the prevention of blood loss in on-pump cardiothoracic surgery. Expert Opin Biol Ther. 2008 Aug;8(8):1187-99. doi: 10.1517/14712598.8.8.1187 ." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Sensory System Agents; Drugs Used in Hereditary Angioedema; Kallikrein Inhibitors; Central Nervous System Agents; Amino Acids, Peptides, and Proteins; Anti-Inflammatory Agents; Blood and Blood Forming Organs; Kallikreins, antagonists & inhibitors; Analgesics, Non-Narcotic; Plasma Kallikrein Inhibitor; Antirheumatic Agents; Peripheral Nervous System Agents; Analgesics" 347910073 Ecallantide CHEMBL1201837 658708 DB05316 Pimavanserin BE0000533 HTR2C P28335 5HT2C_HUMAN inverse agonist 27503570 Stahl SM: Mechanism of action of pimavanserin in Parkinson's disease psychosis: targeting serotonin 5HT2A and 5HT2C receptors. CNS Spectr. 2016 Aug;21(4):271-5. doi: 10.1017/S1092852916000407. Approved; Investigational Phenol ethers Organic compounds; Benzenoids; Phenol ethers Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Psycholeptics; Serotonin Agents; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT2 Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Nervous System; Amides; Serotonin Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antidepressive Agents; Neurotoxic agents CC(C)COC1=CC=C(CNC(=O)N(CC2=CC=C(F)C=C2)C2CCN(C)CC2)C=C1 175426976 Pimavanserin CHEMBL2111101 1791685 DB05317 TAK-475 BE0002444 FDFT1 P37268 FDFT_HUMAN Investigational "Farnesyl-Diphosphate Farnesyltransferase, antagonists & inhibitors; Azepines" 347910077 DB05317 TAK-475 BE0000574 HMGCR P04035 HMDH_HUMAN Investigational "Farnesyl-Diphosphate Farnesyltransferase, antagonists & inhibitors; Azepines" 347910077 DB05319 Oportuzumab monatox BE0002446 EPCAM P16422 EPCAM_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Antibodies, Monoclonal; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Antibodies, Monoclonal, Humanized; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic Agents" 347910078 Oportuzumab_monatox DB05332 Romiplostim BE0003440 MPL P40238 TPOR_HUMAN agonist 23250851 "Krzyzanski W, Sutjandra L, Perez-Ruixo JJ, Sloey B, Chow AT, Wang YM: Pharmacokinetic and pharmacodynamic modeling of romiplostim in animals. Pharm Res. 2013 Mar;30(3):655-69. doi: 10.1007/s11095-012-0894-2. Epub 2012 Dec 19." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Colony-Stimulating Factors; Intercellular Signaling Peptides and Proteins; Increased Platelet Production; Carbohydrates; Hematopoietic Cell Growth Factors; Amino Acids, Peptides, and Proteins; Glycoproteins; Increased Megakaryocyte Maturation; Proteins; Glycoconjugates; Membrane Proteins; Biological Factors; Thrombopoietin Receptor Agonists; Blood and Blood Forming Organs; Hemostatics; Peptides; Receptors, Thrombopoietin, agonists; Cytokines; Recombinant Proteins; Thrombopoietin Receptor Agonist" 20436 347910087 D08990 Romiplostim CHEMBL1201832 805452 DB05343 Arundic acid BE0001177 S100B P04271 S100B_HUMAN Investigational Medium-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Acids, Acyclic; Fatty Acids; Lipids" CCCCCC[C@@H](CCC)C(O)=O 175426981 CHEMBL3187683 DB05345 SO-101 BE0000442 HRH1 P35367 HRH1_HUMAN Investigational 347910093 DB05351 Dexlansoprazole BE0000766 DDAH1 O94760 DDAH1_HUMAN 23825361; 28588208 "Ghebremariam YT, LePendu P, Lee JC, Erlanson DA, Slaviero A, Shah NH, Leiper J, Cooke JP: Unexpected effect of proton pump inhibitors: elevation of the cardiovascular risk factor asymmetric dimethylarginine. Circulation. 2013 Aug 20;128(8):845-53. doi: 10.1161/CIRCULATIONAHA.113.003602. Epub 2013 Jul 3.@@Tommasi S, Elliot DJ, Hulin JA, Lewis BC, McEvoy M, Mangoni AA: Human dimethylarginine dimethylaminohydrolase 1 inhibition by proton pump inhibitors and the cardiovascular risk marker asymmetric dimethylarginine: in vitro and in vivo significance. Sci Rep. 2017 Jun 6;7(1):2871. doi: 10.1038/s41598-017-03069-1." Approved; Investigational Sulfinylbenzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Sulfinylbenzimidazoles "Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Drugs for Acid Related Disorders; Gastrointestinal Agents; Pyridines; 2-Pyridinylmethylsulfinylbenzimidazoles; Anti-Ulcer Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Sulfoxides; Heterocyclic Compounds, Fused-Ring; Gastric Acid Lowering Agents; Cytochrome P-450 CYP3A4 Substrates; Proton Pump Inhibitors; Acid Reducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Benzimidazoles; Proton-pump Inhibitors" CC1=C(OCC(F)(F)F)C=CN=C1C[S@@](=O)C1=NC2=CC=CC=C2N1 20625 347827723 PA166110257 Dexlansoprazole CHEMBL1201863 816346 DB05361 SR-123781A BE0000928 F2R P25116 PAR1_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Carbohydrates; Heparin and similars; Anticoagulants 347910098 DB05362 SSR-126517E BE0000216 F10 P00742 FA10_HUMAN Investigational 347910099 DB05369 HZT-501 BE0000112 HRH2 P25021 HRH2_HUMAN Investigational 347910105 DB05374 Rindopepimut BE0000767 EGFR P00533 EGFR_HUMAN Investigational "Biological Products; Complex Mixtures; Antineoplastic Agents, Immunological; Antineoplastic Agents; Vaccines" 347910109 Rindopepimut DB05381 Histamine BE0000442 HRH1 P35367 HRH1_HUMAN agonist 16648669; 17114052; 17222324; 17336292; 17478759 "Miyoshi K, Das AK, Fujimoto K, Horio S, Fukui H: Recent advances in molecular pharmacology of the histamine systems: regulation of histamine H1 receptor signaling by changing its expression level. J Pharmacol Sci. 2006 May;101(1):3-6. Epub 2006 Apr 28.@@Han SK, Mancino V, Simon MI: Phospholipase Cbeta 3 mediates the scratching response activated by the histamine H1 receptor on C-fiber nociceptive neurons. Neuron. 2006 Nov 22;52(4):691-703.@@Spahr L, Coeytaux A, Giostra E, Hadengue A, Annoni JM: Histamine H1 blocker hydroxyzine improves sleep in patients with cirrhosis and minimal hepatic encephalopathy: a randomized controlled pilot trial. Am J Gastroenterol. 2007 Apr;102(4):744-53. Epub 2007 Jan 11.@@Suzuki K, Morokata T, Morihira K, Sato I, Takizawa S, Kaneko M, Takahashi K, Shimizu Y: A dual antagonist for chemokine CCR3 receptor and histamine H1 receptor. Eur J Pharmacol. 2007 Jun 1;563(1-3):224-32. Epub 2007 Feb 8.@@Tanimoto A, Wang KY, Murata Y, Kimura S, Nomaguchi M, Nakata S, Tsutsui M, Sasaguri Y: Histamine upregulates the expression of inducible nitric oxide synthase in human intimal smooth muscle cells via histamine H1 receptor and NF-kappaB signaling pathway. Arterioscler Thromb Vasc Biol. 2007 Jul;27(7):1556-61. Epub 2007 May 3." Approved; Investigational 2-arylethylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Inflammation Mediators; OCT2 Inhibitors; Amines; Gastric Function; Biogenic Amines; Adjuvants, Immunologic; OCT2 Substrates; OCT1 substrates; Histamine Agonists; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Imidazoles; Other Diagnostics; Biological Factors; Diagnostic Agents; Antineoplastic and Immunomodulating Agents; Biogenic Monoamines; Neurotransmitter Agents; Autacoids; Histamine Agents; Ethylamines" NCCC1=CNC=N1 9352 175426988 D08040 PA449880 Histamine CHEMBL90 5333 DB05381 Histamine BE0000112 HRH2 P25021 HRH2_HUMAN agonist 17334413; 17359382; 11752352 "Francis H, Franchitto A, Ueno Y, Glaser S, DeMorrow S, Venter J, Gaudio E, Alvaro D, Fava G, Marzioni M, Vaculin B, Alpini G: H3 histamine receptor agonist inhibits biliary growth of BDL rats by downregulation of the cAMP-dependent PKA/ERK1/2/ELK-1 pathway. Lab Invest. 2007 May;87(5):473-87. Epub 2007 Mar 5.@@Soga F, Katoh N, Kishimoto S: Histamine prevents apoptosis in human monocytes. Clin Exp Allergy. 2007 Mar;37(3):323-30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational 2-arylethylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Inflammation Mediators; OCT2 Inhibitors; Amines; Gastric Function; Biogenic Amines; Adjuvants, Immunologic; OCT2 Substrates; OCT1 substrates; Histamine Agonists; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Imidazoles; Other Diagnostics; Biological Factors; Diagnostic Agents; Antineoplastic and Immunomodulating Agents; Biogenic Monoamines; Neurotransmitter Agents; Autacoids; Histamine Agents; Ethylamines" NCCC1=CNC=N1 9352 175426988 D08040 PA449880 Histamine CHEMBL90 5333 DB05383 Pimagedine BE0000005 NOS2 P35228 NOS2_HUMAN inhibitor 17139284; 17016423; 10592235; 11752352; 11095919; 20199223; 20224425; 9715714; 28101475; 15039329; 16469770; 11803948; 25191931; 21277116; 34584641; 30620717; 22135691; 11182788; 18782627; 7515129; 29435886; 29109744; 22912853 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Valente E, Assis MC, Alvim IM, Pereira GM, Plotkowski MC: Pseudomonas aeruginosa induces apoptosis in human endothelial cells. Microb Pathog. 2000 Dec;29(6):345-56. doi: 10.1006/mpat.2000.0400.@@Tomita M, Maeda M, Maezawa H, Usami N, Kobayashi K: Bystander cell killing in normal human fibroblasts is induced by synchrotron X-ray microbeams. Radiat Res. 2010 Mar;173(3):380-5. doi: 10.1667/RR1995.1.@@Draisma A, Dorresteijn MJ, Bouw MP, van der Hoeven JG, Pickkers P: The role of cytokines and inducible nitric oxide synthase in endotoxemia-induced endothelial dysfunction. J Cardiovasc Pharmacol. 2010 Jun;55(6):595-600. doi: 10.1097/FJC.0b013e3181da774b.@@Tassiopoulos AK, Hakim TS, Finck CM, Pedoto A, Hodell MG, Landas SK, McGraw DJ: Neutrophil sequestration in the lung following acute aortic occlusion starts during ischaemia and can be attenuated by tumour necrosis factor and nitric oxide blockade. Eur J Vasc Endovasc Surg. 1998 Jul;16(1):36-42. doi: 10.1016/s1078-5884(98)80089-0.@@Eslami SM, Moradi MM, Ghasemi M, Dehpour AR: Anticonvulsive Effects of Licofelone on Status Epilepticus Induced by Lithium-pilocarpine in Wistar Rats: a Role for Inducible Nitric Oxide Synthase. J Epilepsy Res. 2016 Dec 31;6(2):51-58. doi: 10.14581/jer.16011. eCollection 2016 Dec.@@Zamboni DS, Rabinovitch M: Phagocytosis of apoptotic cells increases the susceptibility of macrophages to infection with Coxiella burnetii phase II through down-modulation of nitric oxide production. Infect Immun. 2004 Apr;72(4):2075-80. doi: 10.1128/IAI.72.4.2075-2080.2004.@@Vera Y, Erkkila K, Wang C, Nunez C, Kyttanen S, Lue Y, Dunkel L, Swerdloff RS, Sinha Hikim AP: Involvement of p38 mitogen-activated protein kinase and inducible nitric oxide synthase in apoptotic signaling of murine and human male germ cells after hormone deprivation. Mol Endocrinol. 2006 Jul;20(7):1597-609. doi: 10.1210/me.2005-0395. Epub 2006 Feb 9.@@Saarinen M, Ekman P, He Q, Ikeda M, Virtala M, Yu DTY, Arvilommi H, Granfors K: Elimination of Salmonella enterica serotype enteritidis in intestinal epithelial cells by mechanisms other than nitric oxide. J Med Microbiol. 2002 Jan;51(1):13-19. doi: 10.1099/0022-1317-51-1-13.@@Wang J, Kalhor A, Lu S, Crawford R, Ni JD, Xiao Y: iNOS expression and osteocyte apoptosis in idiopathic, non-traumatic osteonecrosis. Acta Orthop. 2015 Feb;86(1):134-41. doi: 10.3109/17453674.2014.960997. Epub 2014 Sep 5.@@Butterworth KT, McGarry CK, Trainor C, O'Sullivan JM, Hounsell AR, Prise KM: Out-of-field cell survival following exposure to intensity-modulated radiation fields. Int J Radiat Oncol Biol Phys. 2011 Apr 1;79(5):1516-22. doi: 10.1016/j.ijrobp.2010.11.034. Epub 2011 Jan 27.@@Farhad AR, Razavi F, Razavi SM, Saatchi M, Manshaei M: Histological assessment of the local effect of different concentrations of aminoguanidine hydrochloride on bone healing in rats. Dent Res J (Isfahan). 2021 Aug 18;18:63. eCollection 2021.@@Scalise ML, Amaral MM, Reppetti J, Damiano AE, Ibarra C, Sacerdoti F: Cytotoxic effects of Shiga toxin-2 on human extravillous trophoblast cell lines. Reproduction. 2019 Mar;157(3):297-304. doi: 10.1530/REP-18-0581.@@Farhad AR, Razavi SM, Nejad PA: The use of aminoguanidine, a selective inducible nitric oxide synthase inhibitor, to evaluate the role of nitric oxide on periapical healing. Dent Res J (Isfahan). 2011 Oct;8(4):197-202. doi: 10.4103/1735-3327.86038.@@Matsumoto H, Hayashi S, Hatashita M, Ohnishi K, Shioura H, Ohtsubo T, Kitai R, Ohnishi T, Kano E: Induction of radioresistance by a nitric oxide-mediated bystander effect. Radiat Res. 2001 Mar;155(3):387-96. doi: 10.1667/0033-7587(2001)155[0387:iorban]2.0.co;2.@@Deng T, Xu K, Zhang L, Zheng X: Dynamic determination of Ox-LDL-induced oxidative/nitrosative stress in single macrophage by using fluorescent probes. Cell Biol Int. 2008 Nov;32(11):1425-32. doi: 10.1016/j.cellbi.2008.08.013. Epub 2008 Aug 20.@@MacAllister RJ, Whitley GS, Vallance P: Effects of guanidino and uremic compounds on nitric oxide pathways. Kidney Int. 1994 Mar;45(3):737-42. doi: 10.1038/ki.1994.98.@@Mahattanadul S, Reanmongkol W, Yano S, Panichayupakaranant P, Phdoongsombut N, Tungsinmunkong K: Preventive and curative effects of curcumin on the development of gastric inflammatory diseases in rats. J Nat Med. 2006 Jul;60(3):191-197. doi: 10.1007/s11418-006-0035-5. Epub 2006 Apr 28.@@Farhad AR, Razavi SM, Rozati AR, Shekarchizade N, Manshaei M: Selective nitric oxide synthase inhibitor promotes bone healing. Dent Res J (Isfahan). 2017 Sep-Oct;14(5):306-313. doi: 10.4103/1735-3327.215965.@@Trainor C, Butterworth KT, McGarry CK, McMahon SJ, O'Sullivan JM, Hounsell AR, Prise KM: DNA damage responses following exposure to modulated radiation fields. PLoS One. 2012;7(8):e43326. doi: 10.1371/journal.pone.0043326. Epub 2012 Aug 17." Investigational Guanidines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines "OCT2 Inhibitors; Enzyme Inhibitors; Amidines; Nitric Oxide Synthase, antagonists & inhibitors" NNC(N)=N 175426990 Pimagedine CHEMBL225304 1311670 DB05386 Regramostim BE0000628 CSF2RA P15509 CSF2R_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Granulocyte-Macrophage Colony-Stimulating Factor; Biological Factors; Colony-Stimulating Factors; Intercellular Signaling Peptides and Proteins; Carbohydrates; Cholinesterase Inhibitors; Peptides; Proteins; Cytokines; Glycoconjugates; Amino Acids, Peptides, and Proteins; Hematopoietic Cell Growth Factors; Glycoproteins" 347910111 DB05387 Neovastat BE0000642 MMP2 P08253 MMP2_HUMAN Investigational Complex Mixtures; Cartilage 347910112 Shark_cartilage DB05389 Tetrachlorodecaoxide BE0003374 MAEA Q7L5Y9 MAEA_HUMAN Approved; Investigational Non-metal chlorites Inorganic compounds; Homogeneous non-metal compounds; Non-metal oxoanionic compounds; Non-metal chlorites "Halogens; Anions; Radiation-Protective Agents; Gases; Ions; Oxygen Compounds; Elements; Protective Agents; Electrolytes; Compounds used in a research, industrial, or household setting" O.O=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O 175426992 WF10 CHEMBL3707387 DB05389 Tetrachlorodecaoxide BE0003375 CD163 Q86VB7 C163A_HUMAN Approved; Investigational Non-metal chlorites Inorganic compounds; Homogeneous non-metal compounds; Non-metal oxoanionic compounds; Non-metal chlorites "Halogens; Anions; Radiation-Protective Agents; Gases; Ions; Oxygen Compounds; Elements; Protective Agents; Electrolytes; Compounds used in a research, industrial, or household setting" O.O=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O 175426992 WF10 CHEMBL3707387 DB05395 Amibegron BE0001012 ADRB3 P13945 ADRB3_HUMAN Investigational Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives "Adrenergic beta-Agonists; Fatty Acids, Volatile; Adrenergic Agonists; Central Nervous System Depressants; Adrenergic beta-3 Receptor Agonists; Naphthalenes; Lipids; Neurotransmitter Agents; Acids, Acyclic; Agents that produce hypertension; Agents producing tachycardia; Fatty Acids; Adrenergic Agents; Antidepressive Agents" [H][C@](O)(CN[C@@]1([H])CCC2=C(C1)C=C(OCC(=O)OCC)C=C2)C1=CC(Cl)=CC=C1 347827725 Amibegron CHEMBL1193948 DB05403 CEP-1347 BE0002790 MAPK12 P53778 MK12_HUMAN Investigational Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "Indoles; Heterocyclic Compounds, Fused-Ring" [H][C@@]12C[C@H](C(=O)OOC)[C@](C)(O1)N1C3=C(C=C(CSCC)C=C3)C3=C4CNC(=O)C4=C4C5=C(C=CC(CSCC)=C5)N2C4=C13 175426995 DB05404 AZD 3355 BE0003380 TP53 P04637 P53_HUMAN Investigational "GABA Agents; Amines; GABA Agonists; Organophosphorus Compounds; Phosphorus Compounds; Acids; Neurotransmitter Agents; GABA-A Receptor Agonists; Gastrointestinal Agents; Phosphorus Acids; Acids, Noncarboxylic" 347910120 DB05408 Emricasan BE0001162 CASP3 P42574 CASP3_HUMAN Investigational Hybrid peptides Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides "Fatty Acids, Volatile; Valerates; Lipids; Acids, Acyclic; Fatty Acids" C[C@H](NC(=O)C(=O)NC1=C(C=CC=C1)C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)COC1=C(F)C(F)=CC(F)=C1F 347827726 Emricasan CHEMBL197672 DB05408 Emricasan BE0001826 CASP7 P55210 CASP7_HUMAN Investigational Hybrid peptides Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides "Fatty Acids, Volatile; Valerates; Lipids; Acids, Acyclic; Fatty Acids" C[C@H](NC(=O)C(=O)NC1=C(C=CC=C1)C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)COC1=C(F)C(F)=CC(F)=C1F 347827726 Emricasan CHEMBL197672 DB05412 Talmapimod BE0001019 MAPK14 Q16539 MK14_HUMAN Investigational Indolecarboxamides and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives "Heterocyclic Compounds, Fused-Ring" [H][C@]1(C)CN(C(=O)C2=C(Cl)C=C3N(C)C=C(C(=O)C(=O)N(C)C)C3=C2)[C@]([H])(C)CN1CC1=CC=C(F)C=C1 347827727 CHEMBL514201 DB05415 OSI-461 BE0000182 PDE5A O76074 PDE5A_HUMAN Investigational Indenes; Phosphodiesterase Inhibitors 347910126 DB05416 Cardarine BE0001007 PPARD Q03181 PPARD_HUMAN agonist 23391484; 23843199 "Buhrke T, Kibellus A, Lampen A: In vitro toxicological characterization of perfluorinated carboxylic acids with different carbon chain lengths. Toxicol Lett. 2013 Apr 12;218(2):97-104. doi: 10.1016/j.toxlet.2013.01.025. Epub 2013 Feb 4.@@Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11." Investigational Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives Sulfur Compounds CC1=C(CSC2=CC(C)=C(OCC(O)=O)C=C2)SC(=N1)C1=CC=C(C=C1)C(F)(F)F 175426999 GW501516 CHEMBL38943 DB05416 Cardarine BE0000071 PPARA Q07869 PPARA_HUMAN agonist 23843199 "Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11." Investigational Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives Sulfur Compounds CC1=C(CSC2=CC(C)=C(OCC(O)=O)C=C2)SC(=N1)C1=CC=C(C=C1)C(F)(F)F 175426999 GW501516 CHEMBL38943 DB05417 GW 468816 BE0000433 GLRA1 P23415 GLRA1_HUMAN Investigational "Receptors, N-Methyl-D-Aspartate, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring" 347910127 DB05418 GW 597599 BE0000384 TACR1 P25103 NK1R_HUMAN Investigational 347910128 DB05419 ADX-10061 BE0000666 CALY Q9NYX4 CALY_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring" CN1CCC2=CC(=C(O)C=C2[C@H](C1)C1=C2OCCC2=CC=C1)[N+]([O-])=O 347910129 DB05420 Gallium maltolate BE0000325 RRM1 P23921 RIR1_HUMAN Investigational Pyranones and derivatives Organic compounds; Organoheterocyclic compounds; Pyrans; Pyranones and derivatives Pyrans; Gallium [Ga+3].CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1 347827728 Gallium_maltolate DB05421 CP-122721 BE0000384 TACR1 P25103 NK1R_HUMAN Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines COC1=CC=C(OC(F)(F)F)C=C1CN[C@H]1CCCN[C@H]1C1=CC=CC=C1 347827729 CHEMBL319118 DB05423 ORG-34517 BE0000794 NR3C1 P04150 GCR_HUMAN Investigational Oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids "Fused-Ring Compounds; Heterocyclic Compounds, Fused-Ring; Receptors, Glucocorticoid, antagonists & inhibitors; Dioxoles" [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C3OCOC3=C1)C1=C3CCC(=O)C=C3CC[C@@]21[H] 347827730 DB05424 Canertinib BE0000767 EGFR P00533 EGFR_HUMAN Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Cardiovascular Agents; Sensory System Agents; Central Nervous System Agents; Central Nervous System Depressants; Oxazines; Protective Agents; Anesthetics; Compounds used in a research, industrial, or household setting; Acids, Acyclic; Tyrosine Kinase Inhibitors; Peripheral Nervous System Agents; Antineoplastic Agents; Cardiotonic Agents" FC1=C(Cl)C=C(NC2=NC=NC3=CC(OCCCN4CCOCC4)=C(NC(=O)C=C)C=C23)C=C1 175427000 Canertinib CHEMBL31965 DB05428 Motexafin gadolinium BE0001979 TXNRD1 Q16881 TRXR1_HUMAN Investigational "Diagnostic Uses of Chemicals; Coordination Complexes; Contrast Media; Biological Factors; Heterocyclic Compounds, Fused-Ring; Photosensitizing Agents; Dermatologicals; Porphyrins; Radiation-Sensitizing Agents; Pigments, Biological; Antineoplastic Agents; Compounds used in a research, industrial, or household setting" [Gd+3].CC([O-])=O.CC([O-])=O.CCC1=C(CC)/C2=C/C3=N/C(=C\N=C4/C=C(OCCOCCOCCOC)C(OCCOCCOCCOC)=C/C/4=N\C=C4/N=C(/C=C\1\[N-]\2)C(CCCO)=C4C)/C(C)=C3CCCO 175427002 Motexafin_gadolinium DB05428 Motexafin gadolinium BE0003388 TXNRD2 Q9NNW7 TRXR2_HUMAN Investigational "Diagnostic Uses of Chemicals; Coordination Complexes; Contrast Media; Biological Factors; Heterocyclic Compounds, Fused-Ring; Photosensitizing Agents; Dermatologicals; Porphyrins; Radiation-Sensitizing Agents; Pigments, Biological; Antineoplastic Agents; Compounds used in a research, industrial, or household setting" [Gd+3].CC([O-])=O.CC([O-])=O.CCC1=C(CC)/C2=C/C3=N/C(=C\N=C4/C=C(OCCOCCOCCOC)C(OCCOCCOCCOC)=C/C/4=N\C=C4/N=C(/C=C\1\[N-]\2)C(CCCO)=C4C)/C(C)=C3CCCO 175427002 Motexafin_gadolinium DB05432 DAS-431 IV BE0000666 CALY Q9NYX4 CALY_HUMAN Investigational 347910135 DB05434 ABT-510 BE0001015 FGF2 P09038 FGF2_HUMAN Investigational Peptoid-peptide hybrids Organic compounds; Organic acids and derivatives; Peptidomimetics; Peptoid-peptide hybrids "Amino Acids, Peptides, and Proteins; Peptides" CCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN(C)C(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC 175427003 ABT-510 CHEMBL386115 DB05447 AVI-4557 BE0004019 HNF4A P41235 HNF4A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational 347910144 DB05448 PX-12 BE0001979 TXNRD1 Q16881 TRXR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Imidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles Anions; Hydrogen Sulfide; Ions; Sulfides; Sulfur Compounds; Electrolytes CCC(C)SSC1=NC=CN1 175427007 CHEMBL406050 DB05449 FM-VP4 BE0001032 ABCB1 P08183 MDR1_HUMAN Investigational 347910145 DB05451 P54 BE0001086 NFKB1 P19838 NFKB1_HUMAN Investigational 347910147 P54 DB05452 PH-284 BE0000165 AVPR1A P37288 V1AR_HUMAN Investigational 347910148 DB05458 Pozanicline BE0000849 CHRNA4 P43681 ACHA4_HUMAN Investigational Alkyl aryl ethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers CC1=C(OC[C@@H]2CCCN2)C=CC=N1 175427009 Pozanicline CHEMBL127071 DB05461 OPC-28326 BE0000393 HTR2B P41595 5HT2B_HUMAN Investigational 1-benzoylpiperidines Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives Amines O.Cl.CCC(=O)NC1=C(C)C=C(C=C1C)C(=O)N1CCC(CC1)N(C)CCC1=CC=CC=C1 175427011 DB05464 NOX-700 BE0001086 NFKB1 P19838 NFKB1_HUMAN Investigational "Sulfur Compounds; Acids, Acyclic; Carbamates" 347910153 DB05465 Tandutinib BE0003411 PDGFD Q9GZP0 PDGFD_HUMAN Investigational N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; QTc Prolonging Agents; Tyrosine Kinase Inhibitors" COC1=C(OCCCN2CCCCC2)C=C2N=CN=C(N3CCN(CC3)C(=O)NC3=CC=C(OC(C)C)C=C3)C2=C1 175427013 CHEMBL124660 DB05466 R673 BE0000384 TACR1 P25103 NK1R_HUMAN Investigational 347910154 DB05467 Palovarotene BE0000144 RARG P13631 RARG_HUMAN agonist Approved; Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes OATP1B1/SLCO1B1 Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; OATP1B3 inhibitors; Musculo-Skeletal System; Cytochrome P-450 CYP3A4 Substrates; Retinoids; Cytochrome P-450 CYP2B6 Inducers (strength unknown); BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors CC1(C)CCC(C)(C)C2=C1C=C(CN1C=CC=N1)C(\C=C\C1=CC=C(C=C1)C(O)=O)=C2 23695 Palovarotene CHEMBL2105648 DB05468 R411 BE0000590 ITGA4 P13612 ITA4_HUMAN Investigational 347910156 DB05469 R450 BE0000715 ADRA1D P25100 ADA1D_HUMAN Investigational 347910157 DB05470 VX-702 BE0001019 MAPK14 Q16539 MK14_HUMAN Investigational Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines Amides; Benzene Derivatives NC(=O)N(C1=CC=C(C(N)=O)C(=N1)C1=CC=C(F)C=C1F)C1=C(F)C=CC=C1F 347827732 CHEMBL1090090 DB05471 SGN-30 BE0001086 NFKB1 P19838 NFKB1_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" 347910158 DB05472 Human interferon omega-1 BE0000661 IFNAR1 P17181 INAR1_HUMAN 1834641 "Flores I, Mariano TM, Pestka S: Human interferon omega (omega) binds to the alpha/beta receptor. J Biol Chem. 1991 Oct 25;266(30):19875-7." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Myelosuppressive Agents; Immunosuppressive Agents 347910159 P05000 IFNW1 DB05472 Human interferon omega-1 BE0000385 IFNAR2 P48551 INAR2_HUMAN 1834641 "Flores I, Mariano TM, Pestka S: Human interferon omega (omega) binds to the alpha/beta receptor. J Biol Chem. 1991 Oct 25;266(30):19875-7." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Myelosuppressive Agents; Immunosuppressive Agents 347910159 P05000 IFNW1 DB05476 WX-UK1 BE0000717 PLAUR Q03405 UPAR_HUMAN Investigational Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Cyclic; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic" Cl.CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)NS(=O)(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C 347827733 DB05479 CZEN 002 BE0002447 MC1R Q01726 MSHR_HUMAN Investigational CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O 175427016 DB05482 SN-38 BE0000971 TOP1 P11387 TOP1_HUMAN Investigational Camptothecins Organic compounds; Alkaloids and derivatives; Camptothecins Topoisomerase I Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Topoisomerase Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inhibitors; Alkaloids; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents CCC1=C2C=C(O)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O Irinotecan Action Pathway; Irinotecan Metabolism Pathway drug_metabolism; drug_action 175427017 SN-38 CHEMBL837 DB05483 Picolinic acid BE0002460 UBR4 Q5T4S7 UBR4_HUMAN Investigational "Iron Chelating Agents; Chelating Agents; Sequestering Agents; Pyridines; Compounds used in a research, industrial, or household setting" OC(=O)C1=CC=CC=N1 347910165 Picolinic_acid CHEMBL72628 33684 DB05487 Custirsen BE0000123 ESR1 P03372 ESR1_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Antisense Oligonucleotides; Pyrans" 347910168 Custirsen DB05487 Custirsen BE0001086 NFKB1 P19838 NFKB1_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Antisense Oligonucleotides; Pyrans" 347910168 Custirsen DB05488 Technetium Tc-99m ciprofloxacin BE0002425 TOP2B Q02880 TOP2B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational "Organometallic Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strong); Heterocyclic Compounds, Fused-Ring; Fluoroquinolones; QTc Prolonging Agents; Cytochrome P-450 Enzyme Inhibitors; Anti-Bacterial Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors; Quinolones; Quinolines" 175427018 DB05490 AMG-131 BE0000215 PPARG P37231 PPARG_HUMAN partial agonist Investigational "Heterocyclic Compounds, Fused-Ring; Sulfones; PPAR gamma, agonists; Sulfur Compounds; Amides" ClC1=CC=C(C(Cl)=C1)S(=O)(=O)NC1=CC(Cl)=C(OC2=CN=C3C=CC=CC3=C2)C(Cl)=C1 175427019 CHEMBL1236924 DB05492 Epicept NP-1 BE0000770 OPRM1 P35372 OPRM_HUMAN Investigational Nitrobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes CC1=CC(=C(NCCCN)C=C1)[N+]([O-])=O 175427020 CHEMBL609728 DB05492 Epicept NP-1 BE0000393 HTR2B P41595 5HT2B_HUMAN Investigational Nitrobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes CC1=CC(=C(NCCCN)C=C1)[N+]([O-])=O 175427020 CHEMBL609728 DB05492 Epicept NP-1 BE0000533 HTR2C P28335 5HT2C_HUMAN Investigational Nitrobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes CC1=CC(=C(NCCCN)C=C1)[N+]([O-])=O 175427020 CHEMBL609728 DB05492 Epicept NP-1 BE0000715 ADRA1D P25100 ADA1D_HUMAN Investigational Nitrobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes CC1=CC(=C(NCCCN)C=C1)[N+]([O-])=O 175427020 CHEMBL609728 DB05492 Epicept NP-1 BE0000442 HRH1 P35367 HRH1_HUMAN Investigational Nitrobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes CC1=CC(=C(NCCCN)C=C1)[N+]([O-])=O 175427020 CHEMBL609728 DB05492 Epicept NP-1 BE0002378 OPRL1 P41146 OPRX_HUMAN Investigational Nitrobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes CC1=CC(=C(NCCCN)C=C1)[N+]([O-])=O 175427020 CHEMBL609728 DB05505 NM-702 BE0001893 TBXAS1 P24557 THAS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational 347910177 DB05506 ISIS 113715 BE0000623 PTPN1 P18031 PTN1_HUMAN Investigational 347910178 DB05509 LI-301 BE0000770 OPRM1 P35372 OPRM_HUMAN Investigational 347910180 DB05524 Pelitinib BE0000767 EGFR P00533 EGFR_HUMAN 16364494 "Yoshimura N, Kudoh S, Kimura T, Mitsuoka S, Matsuura K, Hirata K, Matsui K, Negoro S, Nakagawa K, Fukuoka M: EKB-569, a new irreversible epidermal growth factor receptor tyrosine kinase inhibitor, with clinical activity in patients with non-small cell lung cancer with acquired resistance to gefitinib. Lung Cancer. 2006 Mar;51(3):363-8. Epub 2005 Dec 20." Investigational "Heterocyclic Compounds, Fused-Ring; Amines; Enzyme Inhibitors; Quinolines; ErbB Receptors, antagonists & inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors" CCOC1=CC2=C(C=C1NC(=O)\C=C\CN(C)C)C(NC1=CC(Cl)=C(F)C=C1)=C(C=N2)C#N CHEMBL607707 DB05532 BMS-488043 BE0003399 FFAR4 Q5NUL3 FFAR4_HUMAN 16955683 "Kadow J, Wang HG, Lin PF: Small-molecule HIV-1 gp120 inhibitors to prevent HIV-1 entry: an emerging opportunity for drug development. Curr Opin Investig Drugs. 2006 Aug;7(8):721-6." Investigational Pyrrolopyridines Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines "Anti-Infective Agents; Antiviral Agents; Heterocyclic Compounds, Fused-Ring; Keto Acids; Anti-HIV Agents; Pyruvates; Anti-Retroviral Agents; Viral Fusion Protein Inhibitors; HIV Fusion Inhibitors" COC1=C2C(NC=C2C(=O)C(=O)N2CCN(CC2)C(=O)C2=CC=CC=C2)=C(OC)N=C1 CHEMBL238103 DB05540 Alanosine BE0002228 ADSS P30520 PURA2_HUMAN 7825060 "Datta SK, Guicherit OM, Kellems RE: Adenylosuccinate synthetase: a dominant amplifiable genetic marker in mammalian cells. Somat Cell Mol Genet. 1994 Sep;20(5):381-9." Investigational L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Chelating Agents; Sequestering Agents; Antibiotics, Antineoplastic; Amino Acids, Peptides, and Proteins; Antineoplastic Agents; Compounds used in a research, industrial, or household setting" N[C@@H](CN(O)N=O)C(O)=O 8166290 Alanosine CHEMBL452715 DB05540 Alanosine BE0002231 ADSSL1 Q8N142 PURA1_HUMAN 7825060 "Datta SK, Guicherit OM, Kellems RE: Adenylosuccinate synthetase: a dominant amplifiable genetic marker in mammalian cells. Somat Cell Mol Genet. 1994 Sep;20(5):381-9." Investigational L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Chelating Agents; Sequestering Agents; Antibiotics, Antineoplastic; Amino Acids, Peptides, and Proteins; Antineoplastic Agents; Compounds used in a research, industrial, or household setting" N[C@@H](CN(O)N=O)C(O)=O 8166290 Alanosine CHEMBL452715 DB05542 Naronapride BE0000084 HTR4 Q13639 5HT4R_HUMAN agonist 17187586 "Camilleri M, Vazquez-Roque MI, Burton D, Ford T, McKinzie S, Zinsmeister AR, Druzgala P: Pharmacodynamic effects of a novel prokinetic 5-HT receptor agonist, ATI-7505, in humans. Neurogastroenterol Motil. 2007 Jan;19(1):30-8." Investigational "Serotonin Agents; Serotonin 5-HT4 Receptor Agonists; Central Nervous System Depressants; Benzoates; Acids, Carbocyclic; Neurotransmitter Agents; Serotonin Receptor Agonists; Amides; Benzene Derivatives; Antidepressive Agents" CO[C@H]1CN(CCCCCC(=O)O[C@H]2CN3CCC2CC3)CC[C@H]1NC(=O)C1=C(OC)C=C(N)C(Cl)=C1 CHEMBL2103858 DB05550 Iratumumab BE0003479 TNFRSF8 P28908 TNR8_HUMAN antibody 33807678 "Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" Iratumumab DB05552 TG100-115 BE0002406 PIK3CD O00329 PK3CD_HUMAN inhibitor 17685602 "Palanki MS, Dneprovskaia E, Doukas J, Fine RM, Hood J, Kang X, Lohse D, Martin M, Noronha G, Soll RM, Wrasidlo W, Yee S, Zhu H: Discovery of 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol as an isozyme-selective inhibitor of PI3K for the treatment of ischemia reperfusion injury associated with myocardial infarction. J Med Chem. 2007 Sep 6;50(18):4279-94. doi: 10.1021/jm051056c. Epub 2007 Aug 9." Investigational "Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Benzene Derivatives" NC1=NC(N)=C2N=C(C3=CC=CC(O)=C3)C(=NC2=N1)C1=CC(O)=CC=C1 CHEMBL230011 DB05552 TG100-115 BE0001315 PIK3CG P48736 PK3CG_HUMAN inhibitor 17685602 "Palanki MS, Dneprovskaia E, Doukas J, Fine RM, Hood J, Kang X, Lohse D, Martin M, Noronha G, Soll RM, Wrasidlo W, Yee S, Zhu H: Discovery of 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol as an isozyme-selective inhibitor of PI3K for the treatment of ischemia reperfusion injury associated with myocardial infarction. J Med Chem. 2007 Sep 6;50(18):4279-94. doi: 10.1021/jm051056c. Epub 2007 Aug 9." Investigational "Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Benzene Derivatives" NC1=NC(N)=C2N=C(C3=CC=CC(O)=C3)C(=NC2=N1)C1=CC(O)=CC=C1 CHEMBL230011 DB05553 Regrelor BE0000110 P2RY12 Q9H244 P2Y12_HUMAN antagonist 234946 "Holland R, Pritchard GG: Regulation of the L-lactase dehydrogenase from Lactobacillus casei by fructose-1,6-diphosphate and metal ions. J Bacteriol. 1975 Mar;121(3):777-84." Investigational "Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Neurotransmitter Agents; Nucleic Acids, Nucleotides, and Nucleosides; Purinergic Agents; Nucleotides; Purinergic P2 Receptor Antagonists; Purinergic Antagonists" [H][C@]12O[C@@H](O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(O)=O)N1C=NC2=C1N=CN=C2NC(=O)NCC)\C=C\C1=CC=CC=C1 Regrelor CHEMBL1162175 1313722 DB05559 NF-kappaB Decoy BE0004903 NFKB2 P19838 NFKB1_HUMAN inhibitor Investigational "Polynucleotides; Oligonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" DB05607 PRX-08066 BE0000393 HTR2B P41595 5HT2B_HUMAN antagonist 20430844 "Porvasnik SL, Germain S, Embury J, Gannon KS, Jacques V, Murray J, Byrne BJ, Shacham S, Al-Mousily F: PRX-08066, a novel 5-hydroxytryptamine receptor 2B antagonist, reduces monocrotaline-induced pulmonary arterial hypertension and right ventricular hypertrophy in rats. J Pharmacol Exp Ther. 2010 Aug;334(2):364-72. doi: 10.1124/jpet.109.165001. Epub 2010 Apr 29." Investigational N-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines Serotonin Agents; Central Nervous System Depressants; Serotonin 5-HT2 Receptor Antagonists; Sulfur Compounds; Serotonin Receptor Antagonists; Antidepressive Agents OC(=O)\C=C\C(O)=O.FC1=C(C=C(CN2CCC(CC2)NC2=C3C=C(Cl)SC3=NC=N2)C=C1)C#N PRX-08066 CHEMBL4297322 DB05624 Teverelix BE0000203 GNRHR P30968 GNRHR_HUMAN antagonist 7693007 "Deghenghi R, Boutignon F, Wuthrich P, Lenaerts V: Antarelix (EP 24332) a novel water soluble LHRH antagonist. Biomed Pharmacother. 1993;47(2-3):107-10." Investigational "Peptides; Hormone Antagonists; Amino Acids, Peptides, and Proteins; Hormones, Hormone Substitutes, and Hormone Antagonists" CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O DB05630 Sodium stibogluconate BE0000971 TOP1 P11387 TOP1_HUMAN inhibitor 15562618; 2835038; 10592235 "Walker J, Saravia NG: Inhibition of Leishmania donovani promastigote DNA topoisomerase I and human monocyte DNA topoisomerases I and II by antimonial drugs and classical antitopoisomerase agents. J Parasitol. 2004 Oct;90(5):1155-62.@@Chakraborty AK, Majumder HK: Mode of action of pentavalent antimonials: specific inhibition of type I DNA topoisomerase of Leishmania donovani. Biochem Biophys Res Commun. 1988 Apr 29;152(2):605-11.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Antiplatyhelmintic Agents; Sugar Acids; Anti-Infective Agents; Schistosomicides; Antimony Compounds; Hydroxy Acids; Antiparasitic Products, Insecticides and Repellents; Carbohydrates; Antiprotozoals; Acids, Acyclic; Gluconates; Agents Against Leishmaniasis and Trypanosomiasis; Antiparasitic Agents" O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[H][C@@]1(O[Sb]2(O)(O[Sb]34([O-])O[C@@H](C([O-])=O)[C@@]([H])(O3)[C@]([H])(O4)[C@H](O)CO)O[C@@H](C([O-])=O)[C@@]1([H])O2)[C@H](O)CO 99443233 D00582 PA164743129 DCL000001 Sodium_stibogluconate CHEMBL2079699 8010 DB05662 NP-50301 BE0000123 ESR1 P03372 ESR1_HUMAN Investigational 347910187 DB05667 Levoketoconazole BE0000875 CYP51A1 Q16850 CP51A_HUMAN inhibitor 34380370; 1495014 "Fleseriu M, Auchus RJ, Pivonello R, Salvatori R, Zacharieva S, Biller BMK: Levoketoconazole: a novel treatment for endogenous Cushing's syndrome. Expert Rev Endocrinol Metab. 2021 Jul;16(4):159-174. doi: 10.1080/17446651.2021.1945440. Epub 2021 Aug 12.@@Rotstein DM, Kertesz DJ, Walker KA, Swinney DC: Stereoisomers of ketoconazole: preparation and biological activity. J Med Chem. 1992 Jul 24;35(15):2818-25." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Cytochrome P-450 CYP2B6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Antiadrenal Preparations; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Azole Antifungals; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Anticorticosteroids; Cytochrome P-450 CYP3A5 Inducers; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cortisol Synthesis Inhibitors; Corticosteroids for Systemic Use" CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 PA450146 Levoketoconazole CHEMBL295698 2588846 DB05668 Palifosfamide BE0000892 DNMT1 P26358 DNMT1_HUMAN Investigational Organic phosphoric acid diamides Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Organic phosphoramides "Hydrocarbons, Halogenated; Amino Acids; Amino Acids, Basic; Phosphoramides; Alkylating Drugs; Organophosphorus Compounds; Amino Acids, Peptides, and Proteins; Oxazines; Mustard Compounds; Phosphoramide Mustards; Toxic Actions; Noxae; Antineoplastic Agents, Alkylating; Amino Acids, Diamino; Nitrogen Mustard Compounds; Antineoplastic Agents" OP(=O)(NCCCl)NCCCl CHEMBL889 DB05678 SLx-4090 BE0000232 MTTP P55157 MTP_HUMAN inhibitor 21406547 "Kim E, Campbell S, Schueller O, Wong E, Cole B, Kuo J, Ellis J, Ferkany J, Sweetnam P: A small-molecule inhibitor of enterocytic microsomal triglyceride transfer protein, SLx-4090: biochemical, pharmacodynamic, pharmacokinetic, and safety profile. J Pharmacol Exp Ther. 2011 Jun;337(3):775-85. doi: 10.1124/jpet.110.177527. Epub 2011 Mar 15." Investigational "Heterocyclic Compounds, Fused-Ring; Benzoates; Acids, Carbocyclic; Amides; Benzene Derivatives" COC1=CC=CC(C(=O)NC2=CC3=C(CN(CC3)C(=O)OC3=CC=CC=C3)C=C2)=C1C1=CC=C(C=C1)C(F)(F)F DB05706 13-deoxydoxorubicin BE0000742 TOP2A P11388 TOP2A_HUMAN Investigational COC1=C2C(=O)C3=C(O)C4=C(C[C@@](O)(CCO)C[C@@H]4O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C(O)=C3C(=O)C2=CC=C1 CHEMBL3249110 DB05710 Gantacurium BE0003585 CHRNA3 P32297 ACHA3_HUMAN antagonist "Khirwadkar R, Hunter JM: Neuromuscular physiology and pharmacology: an update Continuing Education in Anaesthesia Critical Care & Pain. 2012 May 24;12(5):237Ð244." Investigational "Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Nicotinic Antagonists; Central Nervous System Depressants; Muscle Relaxants; Muscle Relaxants, Peripherally Acting Agents" COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N@@+]2(C)CCCOC(=O)C(\Cl)=C\C(=O)OCCC[N@@+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@@H]2C2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC 347827738 Gantacurium_chloride CHEMBL1182997 DB05712 AZD-9684 BE0003407 CPB2 Q96IY4 CBPB2_HUMAN Investigational "Fatty Acids, Volatile; Lipids; Acids, Acyclic; Fatty Acids" 347910195 DB05713 LY-517717 BE0000216 F10 P00742 FA10_HUMAN Investigational N-acyl-alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Peptides, and Proteins" CN1CCC(CC1)N1CCN(CC1)C(=O)[C@H](NC(=O)C1=CC=C2C=CNC2=C1)C1=CC=CC=C1 347827739 CHEMBL1271162 DB05740 RPI-78M BE0000849 CHRNA4 P43681 ACHA4_HUMAN Investigational 347910203 DB05740 RPI-78M BE0002343 CHRNA9 Q9UGM1 ACHA9_HUMAN Investigational 347910203 DB05744 CRx-139 BE0002484 IL10 P22301 IL10_HUMAN Investigational 347910206 DB05749 MPI-674 BE0002090 CYP19A1 P11511 CP19A_HUMAN Investigational 347910209 DB05750 AVE-1625 BE0000061 CNR1 P21554 CNR1_HUMAN Investigational 347910210 AVE-1625 DB05752 ALKS 27 BE0000560 CHRM2 P08172 ACM2_HUMAN Investigational 347910212 DB05752 ALKS 27 BE0000045 CHRM3 P20309 ACM3_HUMAN Investigational 347910212 DB05752 ALKS 27 BE0000247 CHRM5 P08912 ACM5_HUMAN Investigational 347910212 DB05766 Norclozapine BE0000581 DRD3 P35462 DRD3_HUMAN Investigational "Antipsychotic Agents; Heterocyclic Compounds, Fused-Ring; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Tranquilizing Agents; Dibenzazepines" ClC1=CC=C2NC3=C(C=CC=C3)C(=NC2=C1)N1CCNCC1 347910220 Desmethylclozapine CHEMBL845 DB05767 Andrographolide BE0001086 NFKB1 P19838 NFKB1_HUMAN Investigational Gamma butyrolactones Organic compounds; Organoheterocyclic compounds; Lactones; Gamma butyrolactones "Sensory System Agents; Angiosperms; Andrographis; Anti-Inflammatory Agents; Stereoisomerism; Antiprotozoals; Lamiales; Streptophyta; Antiplatelet agents; Terpenes; Plant Preparations; Viridiplantae; Complex Mixtures; Colitis, Ulcerative; Analgesics, Non-Narcotic; Embryophyta; Colitis, Ulcerative, drug therapy; Peripheral Nervous System Agents; Analgesics; Antiparasitic Agents; Acanthaceae; Biological Products; Anti-Infective Agents; Eukaryota; Pharmaceutical Preparations; Tracheophyta; Hematologic Agents; Antirheumatic Agents" [H][C@]12CCC(=C)[C@@H](C\C=C3/[C@H](O)COC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO 347827741 Andrographolide CHEMBL186141 DB05771 LLL-3348 BE0002484 IL10 P22301 IL10_HUMAN Investigational Plant Preparations; Biological Products; Pharmaceutical Preparations; Complex Mixtures 347910223 DB05773 Trastuzumab emtansine BE0000511 ERBB2 P04626 ERBB2_HUMAN antibody 23196784; 19010901; 11752352 "Barginear MF, John V, Budman DR: Trastuzumab-DM1: a clinical update of the novel antibody-drug conjugate for HER2-overexpressing breast cancer. Mol Med. 2013 Jan 22;18:1473-9. doi: 10.2119/molmed.2012.00302.@@Lewis Phillips GD, Li G, Dugger DL, Crocker LM, Parsons KL, Mai E, Blattler WA, Lambert JM, Chari RV, Lutz RJ, Wong WL, Jacobson FS, Koeppen H, Schwall RH, Kenkare-Mitra SR, Spencer SD, Sliwkowski MX: Targeting HER2-positive breast cancer with trastuzumab-DM1, an antibody-cytotoxic drug conjugate. Cancer Res. 2008 Nov 15;68(22):9280-90. doi: 10.1158/0008-5472.CAN-08-1776.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Tubulin Modulators; Antibodies, Monoclonal; Myelosuppressive Agents; Maytansine; Serum Globulins; Cancer immunotherapy; Antimitotic Agents; Immunoproteins; Antibodies, Monoclonal, Humanized; Cytochrome P-450 CYP3A Substrates; Lactams, Macrocyclic; Globulins; Noxae; Amino Acids, Peptides, and Proteins; HER2-targeted Antibodies; Antibodies; Microtubule Inhibitors; Immunotherapy; Immunotoxins; Cytochrome P-450 Substrates; Immunologic Factors; Proteins; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; HER2 Receptor Antagonists; Cytochrome P-450 CYP3A5 Substrates; Immunoglobulins; Hepatotoxic Agents; Antibody-drug Conjugates; Lactones; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoconjugates; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; HER2 (Human Epidermal Growth Factor Receptor 2) inhibitors; Trastuzumab; Narrow Therapeutic Index Drugs; Toxic Actions; Blood Proteins" 22146 347910224 D09980 Trastuzumab_emtansine CHEMBL1743082 1371041 DB05777 Thrombomodulin Alfa BE0000041 F5 P12259 FA5_HUMAN Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Membrane Proteins; Membrane Glycoproteins; Platelet Membrane Glycoproteins; Carbohydrates; Receptors, Thrombin; Proteins; Receptors, Peptide; Glycoconjugates; Amino Acids, Peptides, and Proteins; Glycoproteins" 347910227 DB05785 LGD-1550 BE0000663 RARA P10276 RARA_HUMAN Investigational "Hydrocarbons, Acyclic; Cyclohexenes; Biological Factors; Alkenes; Cycloparaffins; Polyenes; Carotenoids; Cyclohexanes; Pigments, Biological; Receptors, Retinoic Acid, agonists; Terpenes" C\C(\C=C\C=C(/C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)=C/C(O)=O 347910230 CHEMBL89241 DB05785 LGD-1550 BE0000206 RARB P10826 RARB_HUMAN Investigational "Hydrocarbons, Acyclic; Cyclohexenes; Biological Factors; Alkenes; Cycloparaffins; Polyenes; Carotenoids; Cyclohexanes; Pigments, Biological; Receptors, Retinoic Acid, agonists; Terpenes" C\C(\C=C\C=C(/C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)=C/C(O)=O 347910230 CHEMBL89241 DB05785 LGD-1550 BE0000144 RARG P13631 RARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational "Hydrocarbons, Acyclic; Cyclohexenes; Biological Factors; Alkenes; Cycloparaffins; Polyenes; Carotenoids; Cyclohexanes; Pigments, Biological; Receptors, Retinoic Acid, agonists; Terpenes" C\C(\C=C\C=C(/C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)=C/C(O)=O 347910230 CHEMBL89241 DB05786 Irofulven BE0003422 FUBP1 Q96AE4 FUBP1_HUMAN Investigational Cyclohexenones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Alkylating Drugs; Radiation-Sensitizing Agents; Toxic Actions; Noxae; Antineoplastic Agents, Alkylating; Antineoplastic Agents; Terpenes" CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1 175427030 Irofulven CHEMBL118218 DB05790 SR 140333 BE0000384 TACR1 P25103 NK1R_HUMAN Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines Stereoisomerism [Cl-].CC(C)OC1=CC=CC(CC(=O)N2CCC[C@](CC[N+]34CCC(CC3)(CC4)C3=CC=CC=C3)(C2)C2=CC(Cl)=C(Cl)C=C2)=C1 175427031 DB05793 PRO-542 BE0003399 FFAR4 Q5NUL3 FFAR4_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Membrane Glycoproteins; Serum Globulins; Carbohydrates; Immunoproteins; Globulins; Amino Acids, Peptides, and Proteins; Glycoproteins; HIV Fusion Inhibitors; Cell Adhesion Molecules; Immunoglobulin Constant Regions; Proteins; Glycoconjugates; Recombinant Fusion Proteins; Immunoglobulins; Membrane Proteins; Biological Factors; Immunoglobulin Fc Fragments; Peptides; Recombinant Proteins; Antigens; Antigens, Surface; Peptide Fragments; Immunoglobulin Fragments; Blood Proteins" 347910233 DB05796 Daglutril BE0000266 MME P08473 NEP_HUMAN Investigational Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Neprilysin, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring" CCOC(=O)[C@H](CCC1=CC=CC=C1)CC1(CCCC1)C(=O)N[C@H]1CCC2=CC=CC=C2N(CC(O)=O)C1=O 175427034 DB05797 TNX-901 BE0000015 FCER1A P12319 FCERA_HUMAN Investigational "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 347910236 TNX-901 DB05798 GEM-231 BE0003424 PRKAR2A P13861 KAP2_HUMAN Investigational "Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Polynucleotides" 347910237 DB05798 GEM-231 BE0003425 PRKAR1A P10644 KAP0_HUMAN Investigational "Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Polynucleotides" 347910237 DB05806 Cositecan BE0000971 TOP1 P11387 TOP1_HUMAN Investigational Camptothecins Organic compounds; Alkaloids and derivatives; Camptothecins Alkaloids CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C(CC[Si](C)(C)C)C4=CC=CC=C4N=C13)C2=O 175427037 Camptothecin CHEMBL1997373 DB05814 GPI-1485 BE0000695 FKBP1A P62942 FKB1A_HUMAN Investigational Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Lactones; Cytochrome P-450 CYP3A4 Inhibitors CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(O)=O 347827745 DB05824 CNS-5161 BE0000365 GRIN1 Q05586 NMDZ1_HUMAN Investigational Aryl thioethers Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers CSC1=CC(\N=C(/N)N(C)C2=CC(SC)=CC=C2)=C(Cl)C=C1 175427040 CHEMBL41306 DB05829 Parathyroid hormone BE0004703 PTH2R P49190 PTH2R_HUMAN activator 10837469 "Jin L, Briggs SL, Chandrasekhar S, Chirgadze NY, Clawson DK, Schevitz RW, Smiley DL, Tashjian AH, Zhang F: Crystal structure of human parathyroid hormone 1-34 at 0.9-A resolution. J Biol Chem. 2000 Sep 1;275(35):27238-44." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Peptide Hormones; Parathyroid Hormones and Analogues; Thyroid Products; Calcium-Regulating Hormones and Agents; Peptides; Calcium Homeostasis; Amino Acids, Peptides, and Proteins; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 5252 347910255 P01270 Preotact 1427222 DB05831 ING-1 BE0002446 EPCAM P16422 EPCAM_HUMAN Investigational 347910256 DB05846 Mito-4509 BE0003392 APP P05067 A4_HUMAN Investigational 347910266 DB05854 CLX-0921 BE0000215 PPARG P37231 PPARG_HUMAN Investigational Sulfur Compounds 347910271 Thiazolidinedione DB05864 PPI-2458 BE0001534 METAP2 P50579 MAP2_HUMAN Investigational Valine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Ethers, Cyclic; Amino Acids; Amino Acids, Branched-Chain; Ethers; Amino Acids, Peptides, and Proteins" [H][C@@]1([C@H](OC)[C@@H](CC[C@]11CO1)OC(=O)N[C@H](C(C)C)C(N)=O)[C@@]1(C)O[C@@H]1CC=C(C)C 175427046 CHEMBL3527358 DB05867 99mTc-14 F7 Mab BE0004604 ST3GAL5 Q9UNP4 SIAT9_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" 347910280 DB05882 CHF 4227 BE0000123 ESR1 P03372 ESR1_HUMAN Investigational "Pyrans; Heterocyclic Compounds, Fused-Ring" 347910291 Selective_estrogen_receptor_modulator DB05882 CHF 4227 BE0000792 ESR2 Q92731 ESR2_HUMAN Investigational "Pyrans; Heterocyclic Compounds, Fused-Ring" 347910291 Selective_estrogen_receptor_modulator DB05885 Seletracetam BE0002226 CACNA1B Q00975 CAC1B_HUMAN blocker 11879381; 19055493 "Lukyanetz EA, Shkryl VM, Kostyuk PG: Selective blockade of N-type calcium channels by levetiracetam. Epilepsia. 2002 Jan;43(1):9-18.@@Martella G, Bonsi P, Sciamanna G, Platania P, Madeo G, Tassone A, Cuomo D, Pisani A: Seletracetam (ucb 44212) inhibits high-voltage-activated Ca2+ currents and intracellular Ca2+ increase in rat cortical neurons in vitro. Epilepsia. 2009 Apr;50(4):702-10. doi: 10.1111/j.1528-1167.2008.01915.x. Epub 2008 Dec 4." Investigational Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Antiarrhythmic agents; Pyrrolidines; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates CC[C@H](N1C[C@@H](CC1=O)C=C(F)F)C(N)=O 175427051 D05817 Seletracetam CHEMBL3918017 DB05889 Inotuzumab ozogamicin BE0000183 CD22 P20273 CD22_HUMAN antibody 28152223; 33807678 "Thota S, Advani A: Inotuzumab ozogamicin in relapsed B-cell acute lymphoblastic leukemia. Eur J Haematol. 2017 May;98(5):425-434. doi: 10.1111/ejh.12862. Epub 2017 Mar 9.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Increased Cellular Death; Serum Globulins; Cancer immunotherapy; Glycosides; Carbohydrates; Immunoproteins; Antibodies, Monoclonal, Humanized; CD22-directed Antibody Interactions; Globulins; Noxae; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Immunotoxins; Immunologic Factors; Proteins; P-glycoprotein substrates; Antineoplastic Agents; Immunoglobulins; Hepatotoxic Agents; Antibody-drug Conjugates; CD22 (Clusters of Differentiation 22) inhibitors; Decreased DNA Integrity; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; CD22-directed Immunoconjugate; Antineoplastic and Immunomodulating Agents; Immunoconjugates; Calicheamicins; Narrow Therapeutic Index Drugs; Toxic Actions; Blood Proteins" 22942 347910296 Inotuzumab_ozogamicin 1942950 DB05892 RI 624 BE0001094 NGF P01138 NGF_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Sensory System Agents; Immunoglobulins; Serum Globulins; Central Nervous System Agents; Receptor, Nerve Growth Factor, antagonists & inhibitors; Amino Acids, Peptides, and Proteins; Immunoproteins; Proteins; Globulins; Blood Proteins; Peripheral Nervous System Agents; Analgesics" 347910298 DB05895 HGS-TR2J BE0003433 TNFRSF10B O14763 TR10B_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" 347910300 DB05897 rhIGFBP-3 BE0000858 IGF1R P08069 IGF1R_HUMAN Investigational 347910302 DB05905 TD-2749 BE0000084 HTR4 Q13639 5HT4R_HUMAN Investigational CC(C)N1N=C(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2CCN(CC2)C(C)=O)C2=CC=CC=C12 347910306 CHEMBL2059590 DB05913 OSI-930 BE0000453 KIT P10721 KIT_HUMAN Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "Sulfur Compounds; Heterocyclic Compounds, Fused-Ring" FC(F)(F)OC1=CC=C(NC(=O)C2=C(NCC3=CC=NC4=CC=CC=C34)C=CS2)C=C1 347827749 CHEMBL1614710 DB05913 OSI-930 BE0000029 FLT1 P17948 VGFR1_HUMAN Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "Sulfur Compounds; Heterocyclic Compounds, Fused-Ring" FC(F)(F)OC1=CC=C(NC(=O)C2=C(NCC3=CC=NC4=CC=CC=C34)C=CS2)C=C1 347827749 CHEMBL1614710 DB05920 RTA 744 BE0000742 TOP2A P11388 TOP2A_HUMAN Investigational 347910315 DB05930 SB-559448 BE0003440 MPL P40238 TPOR_HUMAN Investigational 347910318 DB05932 Denibulin BE0000029 FLT1 P17948 VGFR1_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring" COC(=O)NC1=NC2=C(N1)C=CC(SC1=CC=C(NC(=O)[C@H](C)N)C=C1)=C2 CHEMBL2111088 DB05936 CVT-6883 BE0000241 ADORA2B P29275 AA2BR_HUMAN Investigational Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Adenosine A2 Receptor Antagonists; Heterocyclic Compounds, Fused-Ring" CCCN1C(=O)N(CC)C2=C(NC(=N2)C2=CN(CC3=CC=CC(=C3)C(F)(F)F)N=C2)C1=O CHEMBL260933 DB05938 Edonerpic BE0003392 APP P05067 A4_HUMAN Investigational 1-benzothiophenes Organic compounds; Organoheterocyclic compounds; Benzothiophenes; 1-benzothiophenes "Sulfur Compounds; Acids, Acyclic; Dicarboxylic Acids" OC1CN(CCCOCCC2=CC3=C(SC=C3)C=C2)C1 DB05939 MK-0354 BE0003446 GPER1 Q99527 GPER1_HUMAN Investigational C1CC2=C(C1)C(=NN2)C1=NNN=N1 G_protein-coupled_receptor CHEMBL456145 DB05943 Resatorvid BE0002115 CSF2RB P32927 IL3RB_HUMAN Investigational Sulfones; Sulfur Compounds; Amides [H][C@]1(CCCC=C1C(=O)OCC)S(=O)(=O)NC1=C(Cl)C=C(F)C=C1 CHEMBL225157 DB05943 Resatorvid BE0002102 IL2RG P31785 IL2RG_HUMAN Investigational Sulfones; Sulfur Compounds; Amides [H][C@]1(CCCC=C1C(=O)OCC)S(=O)(=O)NC1=C(Cl)C=C(F)C=C1 CHEMBL225157 DB05944 Varlitinib BE0000511 ERBB2 P04626 ERBB2_HUMAN Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Sulfur Compounds; Heterocyclic Compounds, Fused-Ring" C[C@@H]1COC(NC2=CC=C3N=CN=C(NC4=CC=C(OCC5=NC=CS5)C(Cl)=C4)C3=C2)=N1 347827751 CHEMBL2103842 DB05944 Varlitinib BE0000767 EGFR P00533 EGFR_HUMAN Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Sulfur Compounds; Heterocyclic Compounds, Fused-Ring" C[C@@H]1COC(NC2=CC=C3N=CN=C(NC4=CC=C(OCC5=NC=CS5)C(Cl)=C4)C3=C2)=N1 347827751 CHEMBL2103842 DB05945 MDX-1303 BE0003223 ANTXR2 P58335 ANTR2_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" DB05945 MDX-1303 BE0003447 ANTXR1 Q9H6X2 ANTR1_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" DB05950 Contulakin-G BE0002226 CACNA1B Q00975 CAC1B_HUMAN Investigational "Nerve Tissue Proteins; Peptides; Proteins; Amino Acids, Peptides, and Proteins" DB05956 EVT-101 BE0000412 RXRA P19793 RXRA_HUMAN Investigational Phenylpyridazines Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives Cl.Cl.CC1=NC=CN1CC1=CC(=CN=N1)C1=CC=C(F)C(=C1)C(F)F EVT-101 CHEMBL3545349 DB05956 EVT-101 BE0000417 GRIN2B Q13224 NMDE2_HUMAN Investigational Phenylpyridazines Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives Cl.Cl.CC1=NC=CN1CC1=CC(=CN=N1)C1=CC=C(F)C(=C1)C(F)F EVT-101 CHEMBL3545349 DB05959 ENMD-1198 BE0002374 HIF1A Q16665 HIF1A_HUMAN Investigational Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids Fused-Ring Compounds; Steroids; Estranes COC1=C(C=C2CC[C@H]3[C@@H]4CC=C[C@@]4(C)CC[C@@H]3C2=C1)C(N)=O CHEMBL1080759 DB05959 ENMD-1198 BE0003462 STAT3 P40763 STAT3_HUMAN Investigational Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids Fused-Ring Compounds; Steroids; Estranes COC1=C(C=C2CC[C@H]3[C@@H]4CC=C[C@@]4(C)CC[C@@H]3C2=C1)C(N)=O CHEMBL1080759 DB05961 PPL-100 BE0002458 SERPING1 P05155 IC1_HUMAN Investigational COC(=O)N[C@@H](C(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1 CHEMBL168640 DB05966 TAS-108 BE0000123 ESR1 P03372 ESR1_HUMAN Investigational "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CC1=CC=C(OCC[C@H]2CC[C@H]3[C@@H]4[C@H](C)CC5=C(C=CC(O)=C5)[C@H]4CC[C@]23C)C(OC)=C1 TAS-108 DB05966 TAS-108 BE0000792 ESR2 Q92731 ESR2_HUMAN Investigational "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CC1=CC=C(OCC[C@H]2CC[C@H]3[C@@H]4[C@H](C)CC5=C(C=CC(O)=C5)[C@H]4CC[C@]23C)C(OC)=C1 TAS-108 DB05969 SNS-032 BE0001913 CDK7 P50613 CDK7_HUMAN Investigational Piperidinecarboxamides Organic compounds; Organoheterocyclic compounds; Piperidines; Piperidinecarboxylic acids and derivatives Sulfur Compounds CC(C)(C)C1=CN=C(CSC2=CN=C(NC(=O)C3CCNCC3)S2)O1 CHEMBL296468 DB05971 Archexin BE0000428 AKT1 P31749 AKT1_HUMAN Investigational "Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Polynucleotides" DB05984 RAF-265 BE0000634 BRAF P15056 BRAF_HUMAN Investigational CN1C(NC2=CC=C(C=C2)C(F)(F)F)=NC2=CC(OC3=CC=NC(=C3)C3=NC=C(N3)C(F)(F)F)=CC=C12 CHEMBL558752 DB05990 Obeticholic acid BE0001777 NR1H4 Q96RI1 NR1H4_HUMAN agonist 12166927; 31813639; 30844895; 31940200; 33049605; 31388629 "Pellicciari R, Fiorucci S, Camaioni E, Clerici C, Costantino G, Maloney PR, Morelli A, Parks DJ, Willson TM: 6alpha-ethyl-chenodeoxycholic acid (6-ECDCA), a potent and selective FXR agonist endowed with anticholestatic activity. J Med Chem. 2002 Aug 15;45(17):3569-72.@@Eslam M, Alvani R, Shiha G: Obeticholic acid: towards first approval for NASH. Lancet. 2019 Dec 14;394(10215):2131-2133. doi: 10.1016/S0140-6736(19)32963-0. Epub 2019 Dec 5.@@Manne V, Kowdley KV: Obeticholic acid in primary biliary cholangitis: where we stand. Curr Opin Gastroenterol. 2019 May;35(3):191-196. doi: 10.1097/MOG.0000000000000525.@@Chianelli D, Rucker PV, Roland J, Tully DC, Nelson J, Liu X, Bursulaya B, Hernandez ED, Wu J, Prashad M, Schlama T, Liu Y, Chu A, Schmeits J, Huang DJ, Hill R, Bao D, Zoll J, Kim Y, Groessl T, McNamara P, Liu B, Richmond W, Sancho-Martinez I, Phimister A, Seidel HM, Badman MK, Joseph SB, Laffitte B, Molteni V: Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis. J Med Chem. 2020 Apr 23;63(8):3868-3880. doi: 10.1021/acs.jmedchem.9b01621. Epub 2020 Feb 5.@@Luo G, Lin X, Li Z, Xiao M, Li X, Zhang D, Xiang H: Structure-guided modification of isoxazole-type FXR agonists: Identification of a potent and orally bioavailable FXR modulator. Eur J Med Chem. 2021 Jan 1;209:112910. doi: 10.1016/j.ejmech.2020.112910. Epub 2020 Oct 7.@@Hernandez ED, Zheng L, Kim Y, Fang B, Liu B, Valdez RA, Dietrich WF, Rucker PV, Chianelli D, Schmeits J, Bao D, Zoll J, Dubois C, Federe GC, Chen L, Joseph SB, Klickstein LB, Walker J, Molteni V, McNamara P, Meeusen S, Tully DC, Badman MK, Xu J, Laffitte B: Tropifexor-Mediated Abrogation of Steatohepatitis and Fibrosis Is Associated With the Antioxidative Gene Expression Profile in Rodents. Hepatol Commun. 2019 May 17;3(8):1085-1097. doi: 10.1002/hep4.1368. eCollection 2019 Aug." Approved "Dihydroxy bile acids, alcohols and derivatives" "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" Fused-Ring Compounds; Farnesoid X Receptor Agonists; BSEP/ABCB11 inducers; Farnesoid X Receptor Agonist; BSEP/ABCB11 Inhibitors; Bile Acids and Salts; Bile acids and derivatives; Bile Acid Preparations; Cholic Acids; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cholanes; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Miscellaneous GI Drugs; Bile Therapy; Bile and Liver Therapy; Alimentary Tract and Metabolism [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O 22864 347827752 D09360 Obeticholic_acid CHEMBL566315 1798288 DB06013 Aldoxorubicin BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 25312684 "Chawla SP, Chua VS, Hendifar AF, Quon DV, Soman N, Sankhala KK, Wieland DS, Levitt DJ: A phase 1B/2 study of aldoxorubicin in patients with soft tissue sarcoma. Cancer. 2015 Feb 15;121(4):570-9. doi: 10.1002/cncr.29081. Epub 2014 Oct 13." Investigational Anthracyclines Organic compounds; Phenylpropanoids and polyketides; Anthracyclines Glycosides; Anthracyclines; Cardiotoxic antineoplastic agents; Carbohydrates; Naphthacenes; Hydrazines; Antineoplastic Agents COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C(\CO)=N\NC(=O)CCCCCN4C(=O)C=CC4=O)C(O)=C3C(=O)C2=CC=C1 D10383 Aldoxorubicin CHEMBL2107818 DB06016 Cariprazine BE0000581 DRD3 P35462 DRD3_HUMAN partial agonist 26510944; 26956157 McCormack PL: Cariprazine: First Global Approval. Drugs. 2015 Nov;75(17):2035-43. doi: 10.1007/s40265-015-0494-7.@@Stahl SM: Mechanism of action of cariprazine. CNS Spectr. 2016 Apr;21(2):123-7. doi: 10.1017/S1092852916000043. Epub 2016 Mar 9. Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Serotonin 5-HT2A Receptor Antagonists; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cyclohexanes; Chlorobenzenes; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP3A5 Inducers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine D2/D3 receptor modulators; Dopamine Agonists; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Cytochrome P-450 CYP3A5 Inducers (strength unknown) CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=C(Cl)C(Cl)=CC=C2)CC1 23719 310264859 D09997 Cariprazine CHEMBL2028019 1667655 DB06016 Cariprazine BE0000393 HTR2B P41595 5HT2B_HUMAN antagonist 26510944; 26956157 McCormack PL: Cariprazine: First Global Approval. Drugs. 2015 Nov;75(17):2035-43. doi: 10.1007/s40265-015-0494-7.@@Stahl SM: Mechanism of action of cariprazine. CNS Spectr. 2016 Apr;21(2):123-7. doi: 10.1017/S1092852916000043. Epub 2016 Mar 9. Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Serotonin 5-HT2A Receptor Antagonists; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cyclohexanes; Chlorobenzenes; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP3A5 Inducers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine D2/D3 receptor modulators; Dopamine Agonists; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Cytochrome P-450 CYP3A5 Inducers (strength unknown) CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=C(Cl)C(Cl)=CC=C2)CC1 23719 310264859 D09997 Cariprazine CHEMBL2028019 1667655 DB06016 Cariprazine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 26510944; 26956157 McCormack PL: Cariprazine: First Global Approval. Drugs. 2015 Nov;75(17):2035-43. doi: 10.1007/s40265-015-0494-7.@@Stahl SM: Mechanism of action of cariprazine. CNS Spectr. 2016 Apr;21(2):123-7. doi: 10.1017/S1092852916000043. Epub 2016 Mar 9. Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Serotonin 5-HT2A Receptor Antagonists; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cyclohexanes; Chlorobenzenes; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP3A5 Inducers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine D2/D3 receptor modulators; Dopamine Agonists; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Cytochrome P-450 CYP3A5 Inducers (strength unknown) CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=C(Cl)C(Cl)=CC=C2)CC1 23719 310264859 D09997 Cariprazine CHEMBL2028019 1667655 DB06016 Cariprazine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Serotonin 5-HT2A Receptor Antagonists; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cyclohexanes; Chlorobenzenes; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP3A5 Inducers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine D2/D3 receptor modulators; Dopamine Agonists; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Cytochrome P-450 CYP3A5 Inducers (strength unknown) CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=C(Cl)C(Cl)=CC=C2)CC1 23719 310264859 D09997 Cariprazine CHEMBL2028019 1667655 DB06021 AV-412 BE0000767 EGFR P00533 EGFR_HUMAN Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Receptor, ErbB-2, antagonists & inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors" CC1=CC=C(C=C1)S(O)(=O)=O.CC1=CC=C(C=C1)S(O)(=O)=O.CN1CCN(CC1)C(C)(C)C#CC1=C(NC(=O)C=C)C=C2C(NC3=CC=C(F)C(Cl)=C3)=NC=NC2=C1 DB06021 AV-412 BE0000511 ERBB2 P04626 ERBB2_HUMAN Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Receptor, ErbB-2, antagonists & inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors" CC1=CC=C(C=C1)S(O)(=O)=O.CC1=CC=C(C=C1)S(O)(=O)=O.CN1CCN(CC1)C(C)(C)C#CC1=C(NC(=O)C=C)C=C2C(NC3=CC=C(F)C(Cl)=C3)=NC=NC2=C1 DB06040 Filanesib BE0001852 KIF11 P52732 KIF11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Phenylbutylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines Mitosis Modulators; Thiazoles; Antimitotic Agents; Sulfur Compounds; Antineoplastic Agents CON(C)C(=O)N1N=C(S[C@@]1(CCCN)C1=CC=CC=C1)C1=CC(F)=CC=C1F Filanesib CHEMBL2347655 DB06042 ZEN-012 BE0000026 TUBB1 Q9H4B7 TBB1_HUMAN Investigational 347910321 DB06042 ZEN-012 BE0000742 TOP2A P11388 TOP2A_HUMAN Investigational 347910321 DB06042 ZEN-012 BE0002425 TOP2B Q02880 TOP2B_HUMAN Investigational 347910321 DB06050 TB-402 BE0000016 F8 P00451 FA8_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" CHEMBL2109410 DB06061 AZD-8330 BE0003430 MAP3K1 Q13233 M3K1_HUMAN Investigational Nicotinamides Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives Protein Kinase Inhibitors; Pyridines CN1C(=O)C(C)=CC(C(=O)NOCCO)=C1NC1=CC=C(I)C=C1F 347827753 CHEMBL3182621 DB06064 KAI-1455 BE0003431 PRKCE Q02156 KPCE_HUMAN Investigational 347910325 DB06069 XMT-1001 BE0000971 TOP1 P11387 TOP1_HUMAN Investigational "Acetals; Alkaloids; Macromolecular Substances; Compounds used in a research, industrial, or household setting" 347910326 DB06070 SNX-5422 BE0001120 HSP90AA1 P07900 HS90A_HUMAN Investigational Alpha amino acid esters "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Heterocyclic Compounds, Fused-Ring; Benzoates; Acids, Carbocyclic; Pyrazoles; Amides; Benzene Derivatives; Amino Acids, Peptides, and Proteins" CC1(C)CC2=C(C(=NN2C2=CC(N[C@H]3CC[C@@H](CC3)OC(=O)CN)=C(C=C2)C(N)=O)C(F)(F)F)C(=O)C1 347827754 CHEMBL1195136 DB06070 SNX-5422 BE0001898 HSP90AB1 P08238 HS90B_HUMAN Investigational Alpha amino acid esters "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Heterocyclic Compounds, Fused-Ring; Benzoates; Acids, Carbocyclic; Pyrazoles; Amides; Benzene Derivatives; Amino Acids, Peptides, and Proteins" CC1(C)CC2=C(C(=NN2C2=CC(N[C@H]3CC[C@@H](CC3)OC(=O)CN)=C(C=C2)C(N)=O)C(F)(F)F)C(=O)C1 347827754 CHEMBL1195136 DB06075 Linsitinib BE0000033 INSR P06213 INSR_HUMAN inhibitor 21425998; 25208878; 17671083 "Mulvihill MJ, Cooke A, Rosenfeld-Franklin M, Buck E, Foreman K, Landfair D, O'Connor M, Pirritt C, Sun Y, Yao Y, Arnold LD, Gibson NW, Ji QS: Discovery of OSI-906: a selective and orally efficacious dual inhibitor of the IGF-1 receptor and insulin receptor. Future Med Chem. 2009 Sep;1(6):1153-71. doi: 10.4155/fmc.09.89.@@Jones RL, Kim ES, Nava-Parada P, Alam S, Johnson FM, Stephens AW, Simantov R, Poondru S, Gedrich R, Lippman SM, Kaye SB, Carden CP: Phase I study of intermittent oral dosing of the insulin-like growth factor-1 and insulin receptors inhibitor OSI-906 in patients with advanced solid tumors. Clin Cancer Res. 2015 Feb 15;21(4):693-700. doi: 10.1158/1078-0432.CCR-14-0265. Epub 2014 Sep 10.@@Ji QS, Mulvihill MJ, Rosenfeld-Franklin M, Cooke A, Feng L, Mak G, O'Connor M, Yao Y, Pirritt C, Buck E, Eyzaguirre A, Arnold LD, Gibson NW, Pachter JA: A novel, potent, and selective insulin-like growth factor-I receptor kinase inhibitor blocks insulin-like growth factor-I receptor signaling in vitro and inhibits insulin-like growth factor-I receptor dependent tumor growth in vivo. Mol Cancer Ther. 2007 Aug;6(8):2158-67. doi: 10.1158/1535-7163.MCT-07-0070. Epub 2007 Aug 1." Investigational C[C@@]1(O)C[C@@H](C1)C1=NC(=C2N1C=CN=C2N)C1=CC=C2C=CC(=NC2=C1)C1=CC=CC=C1 Linsitinib CHEMBL1091644 DB06075 Linsitinib BE0000858 IGF1R P08069 IGF1R_HUMAN inhibitor Investigational C[C@@]1(O)C[C@@H](C1)C1=NC(=C2N1C=CN=C2N)C1=CC=C2C=CC(=NC2=C1)C1=CC=CC=C1 Linsitinib CHEMBL1091644 DB06077 Lumateperone BE0000417 GRIN2B Q13224 NMDE2_HUMAN 30449883 "Vanover KE, Davis RE, Zhou Y, Ye W, Brasic JR, Gapasin L, Saillard J, Weingart M, Litman RE, Mates S, Wong DF: Dopamine D2 receptor occupancy of lumateperone (ITI-007): a Positron Emission Tomography Study in patients with schizophrenia. Neuropsychopharmacology. 2019 Feb;44(3):598-605. doi: 10.1038/s41386-018-0251-1. Epub 2018 Oct 26." Approved; Investigational Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Serotonin Modulators; Dopamine D2 Receptor Agonists; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Dopamine Agonists; Serotonin Agents; UGT1A4 substrates; UGT1A1 Substrates; Nervous System; Cytochrome P-450 CYP1A2 Substrates" [H][C@]12CCN(CCCC(=O)C3=CC=C(F)C=C3)C[C@@]1([H])C1=CC=CC3=C1N2CCN3C 310264860 Lumateperone CHEMBL3306803 2275602 DB06080 Linifanib BE0000029 FLT1 P17948 VGFR1_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring; Pyrazoles; Receptor Protein-Tyrosine Kinases, antagonists & inhibitors; Amides; Benzene Derivatives" CC1=CC(NC(=O)NC2=CC=C(C=C2)C2=C3C(N)=NNC3=CC=C2)=C(F)C=C1 347910329 Linifanib CHEMBL223360 DB06080 Linifanib BE0000453 KIT P10721 KIT_HUMAN Investigational "Heterocyclic Compounds, Fused-Ring; Pyrazoles; Receptor Protein-Tyrosine Kinases, antagonists & inhibitors; Amides; Benzene Derivatives" CC1=CC(NC(=O)NC2=CC=C(C=C2)C2=C3C(N)=NNC3=CC=C2)=C(F)C=C1 347910329 Linifanib CHEMBL223360 DB06081 Caplacizumab BE0001043 VWF P04275 VWF_HUMAN Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Proteins; Antiplatelet agents; Immunoglobulin Fab Fragments; Immunoglobulins; Blood and Blood Forming Organs; Peptides; Immunoglobulin Variable Region; Antithrombotic Agents, Misc.; von Willebrand Factor, antagonists & inhibitors; Peptide Fragments; Immunoglobulin Fragments; Blood Proteins; von Willebrand Factor (vWF)-directed Antibodies" 23420 Caplacizumab 2110604 DB06082 PX-478 BE0002374 HIF1A Q16665 HIF1A_HUMAN inhibitor 20587661 "Schwartz DL, Bankson JA, Lemos R Jr, Lai SY, Thittai AK, He Y, Hostetter G, Demeure MJ, Von Hoff DD, Powis G: Radiosensitization and stromal imaging response correlates for the HIF-1 inhibitor PX-478 given with or without chemotherapy in pancreatic cancer. Mol Cancer Ther. 2010 Jul;9(7):2057-67. doi: 10.1158/1535-7163.MCT-09-0768. Epub 2010 Jun 29." Investigational Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Hydrocarbons, Halogenated; Acids, Carbocyclic" Cl.Cl.N[C@@H](CC1=CC=C(C=C1)[N+]([O-])(CCCl)CCCl)C(O)=O CHEMBL4061538 DB06083 Tapinarof BE0003721 AHR P35869 AHR_HUMAN agonist Approved; Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes Cytochrome P-450 CYP2D6 Substrates; Aryl Hydrocarbon Receptor Agonist; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Phenols; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C19 Substrates CC(C)C1=C(O)C=C(\C=C\C2=CC=CC=C2)C=C1O Tapinarof CHEMBL259571 2602286 DB06089 ICA-105665 BE0000672 KCNQ1 P51787 KCNQ1_HUMAN Investigational 347910330 DB06089 ICA-105665 BE0002398 KCNQ3 O43525 KCNQ3_HUMAN Investigational 347910330 DB06089 ICA-105665 BE0002400 KCNQ5 Q9NR82 KCNQ5_HUMAN Investigational 347910330 DB06089 ICA-105665 BE0000897 KCNQ2 O43526 KCNQ2_HUMAN Investigational 347910330 DB06096 NXN-188 BE0000067 NOS1 P29475 NOS1_HUMAN Investigational 347910332 DB06097 GSK-923295 BE0003434 CENPE Q02224 CENPE_HUMAN Investigational 347910333 DB06098 PRLX 93936 BE0002470 VDAC3 Q9Y277 VDAC3_HUMAN Investigational 347910334 DB06101 IMC-1C11 BE0000029 FLT1 P17948 VGFR1_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 347910335 DB06133 Dimethylcurcumin BE0000132 AR P10275 ANDR_HUMAN inhibitor 23219429 "Lai KP, Huang CK, Chang YJ, Chung CY, Yamashita S, Li L, Lee SO, Yeh S, Chang C: New therapeutic approach to suppress castration-resistant prostate cancer using ASC-J9 via targeting androgen receptor in selective prostate cells. Am J Pathol. 2013 Feb;182(2):460-73. doi: 10.1016/j.ajpath.2012.10.029. Epub 2012 Dec 4." Investigational COC1=CC=C(\C=C\C(\O)=C\C(=O)\C=C\C2=CC(OC)=C(OC)C=C2)C=C1OC Dimethylcurcumin CHEMBL128748 DB06134 SNS-314 BE0000991 AURKA O14965 AURKA_HUMAN Investigational N-phenylureas Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas Sulfur Compounds; Amides; Benzene Derivatives; Protein Kinase Inhibitors ClC1=CC=CC(NC(=O)NC2=NC=C(CCNC3=C4SC=CC4=NC=N3)S2)=C1 CHEMBL482767 DB06137 Tirbanibulin BE0000838 SRC P12931 SRC_HUMAN inhibitor 21509526; 23314737 "Anbalagan M, Carrier L, Glodowski S, Hangauer D, Shan B, Rowan BG: KX-01, a novel Src kinase inhibitor directed toward the peptide substrate site, synergizes with tamoxifen in estrogen receptor alpha positive breast cancer. Breast Cancer Res Treat. 2012 Apr;132(2):391-409. doi: 10.1007/s10549-011-1513-3. Epub 2011 Apr 21.@@Antonarakis ES, Heath EI, Posadas EM, Yu EY, Harrison MR, Bruce JY, Cho SY, Wilding GE, Fetterly GJ, Hangauer DG, Kwan MF, Dyster LM, Carducci MA: A phase 2 study of KX2-391, an oral inhibitor of Src kinase and tubulin polymerization, in men with bone-metastatic castration-resistant prostate cancer. Cancer Chemother Pharmacol. 2013 Apr;71(4):883-92. doi: 10.1007/s00280-013-2079-z. Epub 2013 Jan 13." Approved; Investigational "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Cytochrome P-450 CYP3A4 Inhibitors (weak); Tubulin Inhibiting Agent; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); Fatty Acids; Cytochrome P-450 CYP2C9 Inhibitors; Acetates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Antineoplastic Agents; Cytochrome P-450 CYP3A4 Inhibitors; Fatty Acids, Volatile; Kinase Inhibitor; OATP1B3 inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Lipids; MATE inhibitors; Acids, Acyclic; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; MATE 2 Inhibitors; Keratosis, Actinic, drug therapy; OCT1 inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Microtubule Inhibitors" O=C(CC1=CC=C(C=N1)C1=CC=C(OCCN2CCOCC2)C=C1)NCC1=CC=CC=C1 23842 Tirbanibulin CHEMBL571546 2471078 DB06138 IRL-1620 BE0000043 EDNRB P24530 EDNRB_HUMAN Investigational "Biological Factors; Intercellular Signaling Peptides and Proteins; Peptides; Proteins; Amino Acids, Peptides, and Proteins" DB06144 Sertindole BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 16925508; 11594443 "Lindstrom E, Levander S: Sertindole: efficacy and safety in schizophrenia. Expert Opin Pharmacother. 2006 Sep;7(13):1825-34.@@Hietala J, Kuonnamaki M, Palvimaki EP, Laakso A, Majasuo H, Syvalahti E: Sertindole is a serotonin 5-HT2c inverse agonist and decreases agonist but not antagonist binding to 5-HT2c receptors after chronic treatment. Psychopharmacology (Berl). 2001 Sep;157(2):180-7." Approved; Investigational; Withdrawn Phenylpyrroles Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Indole Derivatives; Nervous System" FC1=CC=C(C=C1)N1C=C(C2CCN(CCN3CCNC3=O)CC2)C2=C1C=CC(Cl)=C2 46504717 D00561 PA164784002 DAP000832 Sertindole CHEMBL12713 41996 DB06144 Sertindole BE0000715 ADRA1D P25100 ADA1D_HUMAN 16925508 "Lindstrom E, Levander S: Sertindole: efficacy and safety in schizophrenia. Expert Opin Pharmacother. 2006 Sep;7(13):1825-34." Approved; Investigational; Withdrawn Phenylpyrroles Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Indole Derivatives; Nervous System" FC1=CC=C(C=C1)N1C=C(C2CCN(CCN3CCNC3=O)CC2)C2=C1C=CC(Cl)=C2 46504717 D00561 PA164784002 DAP000832 Sertindole CHEMBL12713 41996 DB06148 Mianserin BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 11004734 "Grinshpoon A, Valevski A, Moskowitz M, Weizman A: Beneficial effect of the addition of the 5-HT 2A/2C and alpha2 antagonist mianserin to ongoing haloperidol treatment in drug-resistant chronically hospitalized schizophrenic patients. Eur Psychiatry. 2000 Sep;15(6):388-90." Approved; Investigational Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21 46508096 PA134687937 DAP000293 Mianserin CHEMBL6437 6929 DB06148 Mianserin BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 12967590; 11004734; 6302549 "Csaba G, Kovacs P, Pallinger E: Prolonged effect of the tricyclic antidepressant, mianserin on the serotonin and histamine content of young rats' white blood cells and mast cells. A case of late-imprinting. Pharmacol Res. 2003 Nov;48(5):457-60.@@Grinshpoon A, Valevski A, Moskowitz M, Weizman A: Beneficial effect of the addition of the 5-HT 2A/2C and alpha2 antagonist mianserin to ongoing haloperidol treatment in drug-resistant chronically hospitalized schizophrenic patients. Eur Psychiatry. 2000 Sep;15(6):388-90.@@Nowak JZ, Arrang JM, Schwartz JC, Garbarg M: Interaction between mianserin, an antidepressant drug, and central H1- and H2-histamine-receptors: in vitro and in vivo studies and radioreceptor assay. Neuropharmacology. 1983 Mar;22(3):259-66." Approved; Investigational Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21 46508096 PA134687937 DAP000293 Mianserin CHEMBL6437 6929 DB06148 Mianserin BE0000393 HTR2B P41595 5HT2B_HUMAN binder Approved; Investigational Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21 46508096 PA134687937 DAP000293 Mianserin CHEMBL6437 6929 DB06148 Mianserin BE0000581 DRD3 P35462 DRD3_HUMAN binder Approved; Investigational Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21 46508096 PA134687937 DAP000293 Mianserin CHEMBL6437 6929 DB06148 Mianserin BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 10997731 "Lucchelli A, Santagostino-Barbone MG, D'Agostino G, Masoero E, Tonini M: The interaction of antidepressant drugs with enteric 5-HT7 receptors. Naunyn Schmiedebergs Arch Pharmacol. 2000 Sep;362(3):284-9." Approved; Investigational Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21 46508096 PA134687937 DAP000293 Mianserin CHEMBL6437 6929 DB06148 Mianserin BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist Approved; Investigational Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates" CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21 46508096 PA134687937 DAP000293 Mianserin CHEMBL6437 6929 DB06151 Acetylcysteine BE0000185 GSS P48637 GSHB_HUMAN stimulator 2502672 "Martensson J, Gustafsson J, Larsson A: A therapeutic trial with N-acetylcysteine in subjects with hereditary glutathione synthetase deficiency (5-oxoprolinuria). J Inherit Metab Dis. 1989;12(2):120-30." Approved; Investigational N-acyl-L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Increased Glutathione Concentration; OATP1B1/SLCO1B1 Inhibitors; Antioxidants; Protective Agents; Amino Acids, Peptides, and Proteins; Reduction Activity; Free Radical Scavengers; Expectorants; Amino Acids, Neutral; Amino Acids; Antidotes; Antidote for Acetaminophen Overdose; Cysteine; Respiratory System Agents; Compounds used in a research, industrial, or household setting; Ophthalmologicals; Amino Acids, Sulfur; Cough and Cold Preparations; Sulfur Compounds; Decreased Respiratory Secretion Viscosity; Sulfhydryl Compounds; Sensory Organs" CC(=O)N[C@@H](CS)C(O)=O 10303 99443235 D00221 PA448033 DNC000981 Acetylcysteine CHEMBL600 197 DB06151 Acetylcysteine BE0000030 SLC7A11 Q9UPY5 XCT_HUMAN activator 21118657 "Dean O, Giorlando F, Berk M: N-acetylcysteine in psychiatry: current therapeutic evidence and potential mechanisms of action. J Psychiatry Neurosci. 2011 Mar;36(2):78-86. doi: 10.1503/jpn.100057." Approved; Investigational N-acyl-L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Increased Glutathione Concentration; OATP1B1/SLCO1B1 Inhibitors; Antioxidants; Protective Agents; Amino Acids, Peptides, and Proteins; Reduction Activity; Free Radical Scavengers; Expectorants; Amino Acids, Neutral; Amino Acids; Antidotes; Antidote for Acetaminophen Overdose; Cysteine; Respiratory System Agents; Compounds used in a research, industrial, or household setting; Ophthalmologicals; Amino Acids, Sulfur; Cough and Cold Preparations; Sulfur Compounds; Decreased Respiratory Secretion Viscosity; Sulfhydryl Compounds; Sensory Organs" CC(=O)N[C@@H](CS)C(O)=O 10303 99443235 D00221 PA448033 DNC000981 Acetylcysteine CHEMBL600 197 DB06151 Acetylcysteine BE0001154 IKBKB O14920 IKKB_HUMAN inhibitor 10788610 "Oka S, Kamata H, Kamata K, Yagisawa H, Hirata H: N-acetylcysteine suppresses TNF-induced NF-kappaB activation through inhibition of IkappaB kinases. FEBS Lett. 2000 Apr 28;472(2-3):196-202." Approved; Investigational N-acyl-L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Increased Glutathione Concentration; OATP1B1/SLCO1B1 Inhibitors; Antioxidants; Protective Agents; Amino Acids, Peptides, and Proteins; Reduction Activity; Free Radical Scavengers; Expectorants; Amino Acids, Neutral; Amino Acids; Antidotes; Antidote for Acetaminophen Overdose; Cysteine; Respiratory System Agents; Compounds used in a research, industrial, or household setting; Ophthalmologicals; Amino Acids, Sulfur; Cough and Cold Preparations; Sulfur Compounds; Decreased Respiratory Secretion Viscosity; Sulfhydryl Compounds; Sensory Organs" CC(=O)N[C@@H](CS)C(O)=O 10303 99443235 D00221 PA448033 DNC000981 Acetylcysteine CHEMBL600 197 DB06151 Acetylcysteine BE0004655 CHUK O15111 IKKA_HUMAN inhibitor 10788610 "Oka S, Kamata H, Kamata K, Yagisawa H, Hirata H: N-acetylcysteine suppresses TNF-induced NF-kappaB activation through inhibition of IkappaB kinases. FEBS Lett. 2000 Apr 28;472(2-3):196-202." Approved; Investigational N-acyl-L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Increased Glutathione Concentration; OATP1B1/SLCO1B1 Inhibitors; Antioxidants; Protective Agents; Amino Acids, Peptides, and Proteins; Reduction Activity; Free Radical Scavengers; Expectorants; Amino Acids, Neutral; Amino Acids; Antidotes; Antidote for Acetaminophen Overdose; Cysteine; Respiratory System Agents; Compounds used in a research, industrial, or household setting; Ophthalmologicals; Amino Acids, Sulfur; Cough and Cold Preparations; Sulfur Compounds; Decreased Respiratory Secretion Viscosity; Sulfhydryl Compounds; Sensory Organs" CC(=O)N[C@@H](CS)C(O)=O 10303 99443235 D00221 PA448033 DNC000981 Acetylcysteine CHEMBL600 197 DB06151 Acetylcysteine BE0000417 GRIN2B Q13224 NMDE2_HUMAN activator 12183209; 27179791 "Lipton SA, Choi YB, Takahashi H, Zhang D, Li W, Godzik A, Bankston LA: Cysteine regulation of protein function--as exemplified by NMDA-receptor modulation. Trends Neurosci. 2002 Sep;25(9):474-80.@@Wright DJ, Gray LJ, Finkelstein DI, Crouch PJ, Pow D, Pang TY, Li S, Smith ZM, Francis PS, Renoir T, Hannan AJ: N-acetylcysteine modulates glutamatergic dysfunction and depressive behavior in Huntington's disease. Hum Mol Genet. 2016 Jul 15;25(14):2923-2933. doi: 10.1093/hmg/ddw144. Epub 2016 May 14." Approved; Investigational N-acyl-L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Increased Glutathione Concentration; OATP1B1/SLCO1B1 Inhibitors; Antioxidants; Protective Agents; Amino Acids, Peptides, and Proteins; Reduction Activity; Free Radical Scavengers; Expectorants; Amino Acids, Neutral; Amino Acids; Antidotes; Antidote for Acetaminophen Overdose; Cysteine; Respiratory System Agents; Compounds used in a research, industrial, or household setting; Ophthalmologicals; Amino Acids, Sulfur; Cough and Cold Preparations; Sulfur Compounds; Decreased Respiratory Secretion Viscosity; Sulfhydryl Compounds; Sensory Organs" CC(=O)N[C@@H](CS)C(O)=O 10303 99443235 D00221 PA448033 DNC000981 Acetylcysteine CHEMBL600 197 DB06151 Acetylcysteine BE0000365 GRIN1 Q05586 NMDZ1_HUMAN activator 12183209; 27179791 "Lipton SA, Choi YB, Takahashi H, Zhang D, Li W, Godzik A, Bankston LA: Cysteine regulation of protein function--as exemplified by NMDA-receptor modulation. Trends Neurosci. 2002 Sep;25(9):474-80.@@Wright DJ, Gray LJ, Finkelstein DI, Crouch PJ, Pow D, Pang TY, Li S, Smith ZM, Francis PS, Renoir T, Hannan AJ: N-acetylcysteine modulates glutamatergic dysfunction and depressive behavior in Huntington's disease. Hum Mol Genet. 2016 Jul 15;25(14):2923-2933. doi: 10.1093/hmg/ddw144. Epub 2016 May 14." Approved; Investigational N-acyl-L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Increased Glutathione Concentration; OATP1B1/SLCO1B1 Inhibitors; Antioxidants; Protective Agents; Amino Acids, Peptides, and Proteins; Reduction Activity; Free Radical Scavengers; Expectorants; Amino Acids, Neutral; Amino Acids; Antidotes; Antidote for Acetaminophen Overdose; Cysteine; Respiratory System Agents; Compounds used in a research, industrial, or household setting; Ophthalmologicals; Amino Acids, Sulfur; Cough and Cold Preparations; Sulfur Compounds; Decreased Respiratory Secretion Viscosity; Sulfhydryl Compounds; Sensory Organs" CC(=O)N[C@@H](CS)C(O)=O 10303 99443235 D00221 PA448033 DNC000981 Acetylcysteine CHEMBL600 197 DB06151 Acetylcysteine BE0000760 GRIN2A Q12879 NMDE1_HUMAN activator 12183209; 27179791 "Lipton SA, Choi YB, Takahashi H, Zhang D, Li W, Godzik A, Bankston LA: Cysteine regulation of protein function--as exemplified by NMDA-receptor modulation. Trends Neurosci. 2002 Sep;25(9):474-80.@@Wright DJ, Gray LJ, Finkelstein DI, Crouch PJ, Pow D, Pang TY, Li S, Smith ZM, Francis PS, Renoir T, Hannan AJ: N-acetylcysteine modulates glutamatergic dysfunction and depressive behavior in Huntington's disease. Hum Mol Genet. 2016 Jul 15;25(14):2923-2933. doi: 10.1093/hmg/ddw144. Epub 2016 May 14." Approved; Investigational N-acyl-L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Increased Glutathione Concentration; OATP1B1/SLCO1B1 Inhibitors; Antioxidants; Protective Agents; Amino Acids, Peptides, and Proteins; Reduction Activity; Free Radical Scavengers; Expectorants; Amino Acids, Neutral; Amino Acids; Antidotes; Antidote for Acetaminophen Overdose; Cysteine; Respiratory System Agents; Compounds used in a research, industrial, or household setting; Ophthalmologicals; Amino Acids, Sulfur; Cough and Cold Preparations; Sulfur Compounds; Decreased Respiratory Secretion Viscosity; Sulfhydryl Compounds; Sensory Organs" CC(=O)N[C@@H](CS)C(O)=O 10303 99443235 D00221 PA448033 DNC000981 Acetylcysteine CHEMBL600 197 DB06151 Acetylcysteine BE0000396 GRIN2D O15399 NMDE4_HUMAN activator 12183209; 27179791 "Lipton SA, Choi YB, Takahashi H, Zhang D, Li W, Godzik A, Bankston LA: Cysteine regulation of protein function--as exemplified by NMDA-receptor modulation. Trends Neurosci. 2002 Sep;25(9):474-80.@@Wright DJ, Gray LJ, Finkelstein DI, Crouch PJ, Pow D, Pang TY, Li S, Smith ZM, Francis PS, Renoir T, Hannan AJ: N-acetylcysteine modulates glutamatergic dysfunction and depressive behavior in Huntington's disease. Hum Mol Genet. 2016 Jul 15;25(14):2923-2933. doi: 10.1093/hmg/ddw144. Epub 2016 May 14." Approved; Investigational N-acyl-L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Increased Glutathione Concentration; OATP1B1/SLCO1B1 Inhibitors; Antioxidants; Protective Agents; Amino Acids, Peptides, and Proteins; Reduction Activity; Free Radical Scavengers; Expectorants; Amino Acids, Neutral; Amino Acids; Antidotes; Antidote for Acetaminophen Overdose; Cysteine; Respiratory System Agents; Compounds used in a research, industrial, or household setting; Ophthalmologicals; Amino Acids, Sulfur; Cough and Cold Preparations; Sulfur Compounds; Decreased Respiratory Secretion Viscosity; Sulfhydryl Compounds; Sensory Organs" CC(=O)N[C@@H](CS)C(O)=O 10303 99443235 D00221 PA448033 DNC000981 Acetylcysteine CHEMBL600 197 DB06151 Acetylcysteine BE0000641 GRIN3A Q8TCU5 NMD3A_HUMAN activator 12183209; 27179791 "Lipton SA, Choi YB, Takahashi H, Zhang D, Li W, Godzik A, Bankston LA: Cysteine regulation of protein function--as exemplified by NMDA-receptor modulation. Trends Neurosci. 2002 Sep;25(9):474-80.@@Wright DJ, Gray LJ, Finkelstein DI, Crouch PJ, Pow D, Pang TY, Li S, Smith ZM, Francis PS, Renoir T, Hannan AJ: N-acetylcysteine modulates glutamatergic dysfunction and depressive behavior in Huntington's disease. Hum Mol Genet. 2016 Jul 15;25(14):2923-2933. doi: 10.1093/hmg/ddw144. Epub 2016 May 14." Approved; Investigational N-acyl-L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Increased Glutathione Concentration; OATP1B1/SLCO1B1 Inhibitors; Antioxidants; Protective Agents; Amino Acids, Peptides, and Proteins; Reduction Activity; Free Radical Scavengers; Expectorants; Amino Acids, Neutral; Amino Acids; Antidotes; Antidote for Acetaminophen Overdose; Cysteine; Respiratory System Agents; Compounds used in a research, industrial, or household setting; Ophthalmologicals; Amino Acids, Sulfur; Cough and Cold Preparations; Sulfur Compounds; Decreased Respiratory Secretion Viscosity; Sulfhydryl Compounds; Sensory Organs" CC(=O)N[C@@H](CS)C(O)=O 10303 99443235 D00221 PA448033 DNC000981 Acetylcysteine CHEMBL600 197 DB06152 Nylidrin BE0000385 IFNAR2 P48551 INAR2_HUMAN agonist Approved Phenylpropanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes "Adrenergic beta-Agonists; Peripheral Vasodilators; Sympathomimetics, Labour Repressants; Amines; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Tocolytic Agents; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; 2-Amino-1-Phenylethanol Derivatives; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Alcohols; Genito Urinary System and Sex Hormones; Adrenergic Agonists; Vasodilating Agents; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Propanols; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Miscellaneous Vasodilatating Agents; Antiarrhythmic agents; Propanolamines; Neurotransmitter Agents; Bradycardia-Causing Agents; Ethylamines; Adrenergic Agents; Reproductive Control Agents" CC(CCC1=CC=CC=C1)NC(C)C(O)C1=CC=C(O)C=C1 9099 347827757 Nylidrin CHEMBL114655 7595 DB06152 Nylidrin BE0000012 CACNA1I Q9P0X4 CAC1I_HUMAN antagonist Approved Phenylpropanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes "Adrenergic beta-Agonists; Peripheral Vasodilators; Sympathomimetics, Labour Repressants; Amines; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Tocolytic Agents; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; 2-Amino-1-Phenylethanol Derivatives; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Alcohols; Genito Urinary System and Sex Hormones; Adrenergic Agonists; Vasodilating Agents; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Propanols; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Miscellaneous Vasodilatating Agents; Antiarrhythmic agents; Propanolamines; Neurotransmitter Agents; Bradycardia-Causing Agents; Ethylamines; Adrenergic Agents; Reproductive Control Agents" CC(CCC1=CC=CC=C1)NC(C)C(O)C1=CC=C(O)C=C1 9099 347827757 Nylidrin CHEMBL114655 7595 DB06153 Pizotifen BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 1868883; 1377628 "Richards MH: Effects of cyproheptadine and pizotifen on central muscarinic receptors. Eur J Pharmacol. 1991 Apr 3;195(3):403-5.@@Eltze M, Mutschler E, Lambrecht G: Affinity profiles of pizotifen, ketotifen and other tricyclic antimuscarinics at muscarinic receptor subtypes M1, M2 and M3. Eur J Pharmacol. 1992 Feb 18;211(3):283-93." Approved Cycloheptathiophenes Organic compounds; Organoheterocyclic compounds; Cycloheptathiophenes "Sensory System Agents; Antimigraine Agents, Miscellaneous; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Anticholinergic Agents; Adrenergic Antagonists; Analgesics, Non-Narcotic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Thiophenes; Nervous System; Sulfur Compounds" CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2 12057 347827758 Pizotifen CHEMBL294951 8373 DB06153 Pizotifen BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 1377628 "Eltze M, Mutschler E, Lambrecht G: Affinity profiles of pizotifen, ketotifen and other tricyclic antimuscarinics at muscarinic receptor subtypes M1, M2 and M3. Eur J Pharmacol. 1992 Feb 18;211(3):283-93." Approved Cycloheptathiophenes Organic compounds; Organoheterocyclic compounds; Cycloheptathiophenes "Sensory System Agents; Antimigraine Agents, Miscellaneous; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Anticholinergic Agents; Adrenergic Antagonists; Analgesics, Non-Narcotic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Thiophenes; Nervous System; Sulfur Compounds" CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2 12057 347827758 Pizotifen CHEMBL294951 8373 DB06153 Pizotifen BE0000393 HTR2B P41595 5HT2B_HUMAN antagonist 111296; 2045831 "Przegalinski E, Baran L, Palider W, Siwanowicz J: The central action of pizotifen. Psychopharmacology (Berl). 1979 Apr 25;62(3):295-300.@@Mylecharane EJ: 5-HT2 receptor antagonists and migraine therapy. J Neurol. 1991;238 Suppl 1:S45-52." Approved Cycloheptathiophenes Organic compounds; Organoheterocyclic compounds; Cycloheptathiophenes "Sensory System Agents; Antimigraine Agents, Miscellaneous; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Anticholinergic Agents; Adrenergic Antagonists; Analgesics, Non-Narcotic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Thiophenes; Nervous System; Sulfur Compounds" CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2 12057 347827758 Pizotifen CHEMBL294951 8373 DB06153 Pizotifen BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist Approved Cycloheptathiophenes Organic compounds; Organoheterocyclic compounds; Cycloheptathiophenes "Sensory System Agents; Antimigraine Agents, Miscellaneous; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Anticholinergic Agents; Adrenergic Antagonists; Analgesics, Non-Narcotic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Thiophenes; Nervous System; Sulfur Compounds" CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2 12057 347827758 Pizotifen CHEMBL294951 8373 DB06153 Pizotifen BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 2045831 Mylecharane EJ: 5-HT2 receptor antagonists and migraine therapy. J Neurol. 1991;238 Suppl 1:S45-52. Approved Cycloheptathiophenes Organic compounds; Organoheterocyclic compounds; Cycloheptathiophenes "Sensory System Agents; Antimigraine Agents, Miscellaneous; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Anticholinergic Agents; Adrenergic Antagonists; Analgesics, Non-Narcotic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Thiophenes; Nervous System; Sulfur Compounds" CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2 12057 347827758 Pizotifen CHEMBL294951 8373 DB06153 Pizotifen BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 2045831 Mylecharane EJ: 5-HT2 receptor antagonists and migraine therapy. J Neurol. 1991;238 Suppl 1:S45-52. Approved Cycloheptathiophenes Organic compounds; Organoheterocyclic compounds; Cycloheptathiophenes "Sensory System Agents; Antimigraine Agents, Miscellaneous; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Anticholinergic Agents; Adrenergic Antagonists; Analgesics, Non-Narcotic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Thiophenes; Nervous System; Sulfur Compounds" CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2 12057 347827758 Pizotifen CHEMBL294951 8373 DB06155 Rimonabant BE0000061 CNR1 P21554 CNR1_HUMAN antagonist 8636122; 11752352 "Shire D, Calandra B, Delpech M, Dumont X, Kaghad M, Le Fur G, Caput D, Ferrara P: Structural features of the central cannabinoid CB1 receptor involved in the binding of the specific CB1 antagonist SR 141716A. J Biol Chem. 1996 Mar 22;271(12):6941-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles "Receptor, Cannabinoid, CB1, antagonists & inhibitors; Piperidines; Cytochrome P-450 Substrates; Antiobesity Preparations, Excl. Diet Products; Pyrazoles; Anti-Obesity Agents; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Substrates; Cannabinoid Receptor Antagonists; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" CC1=C(N(N=C1C(=O)NN1CCCCC1)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(Cl)C=C1 99443236 D05731 PA152407999 DNC001371 Rimonabant CHEMBL111 DB06157 Istaroxime BE0003477 ATP2A2 P16615 AT2A2_HUMAN 17239702 "Mattera GG, Lo Giudice P, Loi FM, Vanoli E, Gagnol JP, Borsini F, Carminati P: Istaroxime: a new luso-inotropic agent for heart failure. Am J Cardiol. 2007 Jan 22;99(2A):33A-40A. Epub 2006 Sep 18." Investigational "Fused-Ring Compounds; Gonadal Steroid Hormones; Sodium-Potassium-Exchanging ATPase, antagonists & inhibitors; Adrenal Cortex Hormones; Gonadal Hormones; Ketosteroids; Androstanols; Androstanes; 17-Ketosteroids; Steroids; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)[C@@]2([H])CC(CC[C@]12C)=NOCCN Istaroxime CHEMBL2093999 DB06157 Istaroxime BE0000732 ATP1A1 P05023 AT1A1_HUMAN 17239702 "Mattera GG, Lo Giudice P, Loi FM, Vanoli E, Gagnol JP, Borsini F, Carminati P: Istaroxime: a new luso-inotropic agent for heart failure. Am J Cardiol. 2007 Jan 22;99(2A):33A-40A. Epub 2006 Sep 18." Investigational "Fused-Ring Compounds; Gonadal Steroid Hormones; Sodium-Potassium-Exchanging ATPase, antagonists & inhibitors; Adrenal Cortex Hormones; Gonadal Hormones; Ketosteroids; Androstanols; Androstanes; 17-Ketosteroids; Steroids; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)[C@@]2([H])CC(CC[C@]12C)=NOCCN Istaroxime CHEMBL2093999 DB06159 Rubitecan BE0000971 TOP1 P11387 TOP1_HUMAN 16193332 "Chedid S, Rivera E, Frye DK, Ibrahim N, Esteva F, Valero V, Hortobagyi G, Mettinger KL, Cristofanilli M: Minimal clinical benefit of single agent Orathecin (Rubitecan) in heavily pretreated metastatic breast cancer. Cancer Chemother Pharmacol. 2006 Apr;57(4):540-4. Epub 2005 Sep 29." Investigational Enzyme Inhibitors; Topoisomerase Inhibitors; Alkaloids; Topoisomerase I Inhibitors; Antineoplastic Agents CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=C(C1=C3)[N+]([O-])=O)C2=O D04031 Rubitecan CHEMBL77305 DB06176 Romidepsin BE0002365 HDAC1 Q13547 HDAC1_HUMAN antagonist 21587264 "VanderMolen KM, McCulloch W, Pearce CJ, Oberlies NH: Romidepsin (Istodax, NSC 630176, FR901228, FK228, depsipeptide): a natural product recently approved for cutaneous T-cell lymphoma. J Antibiot (Tokyo). 2011 Aug;64(8):525-31. doi: 10.1038/ja.2011.35. Epub 2011 May 18." Approved; Investigational "OATP1B1/SLCO1B1 Inhibitors; Bile Salt Export Pump Inhibitors; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Enzyme Inhibitors; Peptides, Cyclic; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Histone deacetylase (HDAC) inhibitors; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Histone Deacetylase Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Peptides; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs" C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C 21095 310264861 D06637 PA166161306 Romidepsin CHEMBL343448 877510 DB06176 Romidepsin BE0002366 HDAC2 Q92769 HDAC2_HUMAN antagonist 21587264 "VanderMolen KM, McCulloch W, Pearce CJ, Oberlies NH: Romidepsin (Istodax, NSC 630176, FR901228, FK228, depsipeptide): a natural product recently approved for cutaneous T-cell lymphoma. J Antibiot (Tokyo). 2011 Aug;64(8):525-31. doi: 10.1038/ja.2011.35. Epub 2011 May 18." Approved; Investigational "OATP1B1/SLCO1B1 Inhibitors; Bile Salt Export Pump Inhibitors; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Enzyme Inhibitors; Peptides, Cyclic; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Histone deacetylase (HDAC) inhibitors; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Histone Deacetylase Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Peptides; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs" C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C 21095 310264861 D06637 PA166161306 Romidepsin CHEMBL343448 877510 DB06176 Romidepsin BE0003523 HDAC4 P56524 HDAC4_HUMAN inhibitor 21587264 "VanderMolen KM, McCulloch W, Pearce CJ, Oberlies NH: Romidepsin (Istodax, NSC 630176, FR901228, FK228, depsipeptide): a natural product recently approved for cutaneous T-cell lymphoma. J Antibiot (Tokyo). 2011 Aug;64(8):525-31. doi: 10.1038/ja.2011.35. Epub 2011 May 18." Approved; Investigational "OATP1B1/SLCO1B1 Inhibitors; Bile Salt Export Pump Inhibitors; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Enzyme Inhibitors; Peptides, Cyclic; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Histone deacetylase (HDAC) inhibitors; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Histone Deacetylase Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Peptides; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs" C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C 21095 310264861 D06637 PA166161306 Romidepsin CHEMBL343448 877510 DB06176 Romidepsin BE0000785 ABCC1 P33527 MRP1_HUMAN 15634944 "Xiao JJ, Foraker AB, Swaan PW, Liu S, Huang Y, Dai Z, Chen J, Sadee W, Byrd J, Marcucci G, Chan KK: Efflux of depsipeptide FK228 (FR901228, NSC-630176) is mediated by P-glycoprotein and multidrug resistance-associated protein 1. J Pharmacol Exp Ther. 2005 Apr;313(1):268-76. Epub 2005 Jan 5." Approved; Investigational "OATP1B1/SLCO1B1 Inhibitors; Bile Salt Export Pump Inhibitors; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Enzyme Inhibitors; Peptides, Cyclic; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Histone deacetylase (HDAC) inhibitors; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Histone Deacetylase Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Peptides; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs" C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C 21095 310264861 D06637 PA166161306 Romidepsin CHEMBL343448 877510 DB06176 Romidepsin BE0008667 HDAC1 Q9UKV0 HDAC9_HUMAN inhibitor 12678732 "Kouraklis G, Theocharis S: Histone deacetylase inhibitors and anticancer therapy. Curr Med Chem Anticancer Agents. 2002 Jul;2(4):477-84. doi: 10.2174/1568011023353921." Approved; Investigational "OATP1B1/SLCO1B1 Inhibitors; Bile Salt Export Pump Inhibitors; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Enzyme Inhibitors; Peptides, Cyclic; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Histone deacetylase (HDAC) inhibitors; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Histone Deacetylase Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Peptides; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs" C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C 21095 310264861 D06637 PA166161306 Romidepsin CHEMBL343448 877510 DB06185 Forodesine BE0000250 PNP P00491 PNPH_HUMAN 18086344; 18086346; 16131572 "Furman RR, Hoelzer D: Purine nucleoside phosphorylase inhibition as a novel therapeutic approach for B-cell lymphoid malignancies. Semin Oncol. 2007 Dec;34(6 Suppl 5):S29-34.@@Gore L, Stelljes M, Quinones R: Forodesine treatment and post-transplant graft-versus-host disease in two patients with acute leukemia: facilitation of graft-versus-leukemia effect? Semin Oncol. 2007 Dec;34(6 Suppl 5):S35-9.@@Gandhi V, Kilpatrick JM, Plunkett W, Ayres M, Harman L, Du M, Bantia S, Davisson J, Wierda WG, Faderl S, Kantarjian H, Thomas D: A proof-of-principle pharmacokinetic, pharmacodynamic, and clinical study with purine nucleoside phosphorylase inhibitor immucillin-H (BCX-1777, forodesine). Blood. 2005 Dec 15;106(13):4253-60. Epub 2005 Aug 30." Investigational Pyrrolopyrimidines Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines "Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Purine-Nucleoside Phosphorylase, antagonists & inhibitors; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides" OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)C1=CNC2=C1N=CNC2=O D06596 Forodesine CHEMBL218291 DB06190 Solabegron BE0001012 ADRB3 P13945 ADRB3_HUMAN agonist 18372395 "Grudell AB, Camilleri M, Jensen KL, Foxx-Orenstein AE, Burton DD, Ryks MD, Baxter KL, Cox DS, Dukes GE, Kelleher DL, Zinsmeister AR: Dose-response effect of a beta3-adrenergic receptor agonist, solabegron, on gastrointestinal transit, bowel function, and somatostatin levels in health. Am J Physiol Gastrointest Liver Physiol. 2008 May;294(5):G1114-9. doi: 10.1152/ajpgi.00051.2008. Epub 2008 Mar 27." Investigational Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives "Adrenergic beta-Agonists; Drugs for Urinary Frequency and Incontinence; Adrenergic Agonists; Amines; Acids, Carbocyclic; Adrenergic beta-3 Receptor Agonists; Neurotransmitter Agents; Agents that produce hypertension; Agents producing tachycardia; Benzene Derivatives; Adrenergic Agents" [H][C@](O)(CNCCNC1=CC(=CC=C1)C1=CC(=CC=C1)C(O)=O)C1=CC=CC(Cl)=C1 347827760 Solabegron CHEMBL208427 DB06191 Zosuquidar BE0001032 ABCB1 P08183 MDR1_HUMAN inhibitor 18157518 "Nies AT, Herrmann E, Brom M, Keppler D: Vectorial transport of the plant alkaloid berberine by double-transfected cells expressing the human organic cation transporter 1 (OCT1, SLC22A1) and the efflux pump MDR1 P-glycoprotein (ABCB1). Naunyn Schmiedebergs Arch Pharmacol. 2008 Feb;376(6):449-61. Epub 2007 Dec 19." Investigational "P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Benzocycloheptenes; Drug Resistance, Multiple" [H][C@]12C3=CC=CC=C3[C@H](N3CCN(C[C@@H](O)COC4=CC=CC5=C4C=CC=N5)CC3)C3=CC=CC=C3[C@@]1([H])C2(F)F Zosuquidar CHEMBL444172 DB06194 Elocalcitol BE0000779 VDR P11473 VDR_HUMAN 17241782 "Adorini L, Penna G, Amuchastegui S, Cossetti C, Aquilano F, Mariani R, Fibbi B, Morelli A, Uskokovic M, Colli E, Maggi M: Inhibition of prostate growth and inflammation by the vitamin D receptor agonist BXL-628 (elocalcitol). J Steroid Biochem Mol Biol. 2007 Mar;103(3-5):689-93. Epub 2007 Jan 22." Investigational Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives Cholestanes; Fused-Ring Compounds; Sterols; Vitamins; Vitamins (Fat Soluble); Vitamin D and Analogues; Lipids; Cholestenes; Steroids; Membrane Lipids; Secosteroids CCC(O)(CC)\C=C\C[C@H](C)C1=CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@@](F)([H])C1=C DB06195 Seliciclib BE0001082 CDK1 P06493 CDK1_HUMAN 17108108 "Iurisci I, Filipski E, Reinhardt J, Bach S, Gianella-Borradori A, Iacobelli S, Meijer L, Levi F: Improved tumor control through circadian clock induction by Seliciclib, a cyclin-dependent kinase inhibitor. Cancer Res. 2006 Nov 15;66(22):10720-8." Investigational 6-alkylaminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors" CC[C@H](CO)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C(C)C)C2=N1 Seliciclib CHEMBL14762 DB06195 Seliciclib BE0001072 CDK2 P24941 CDK2_HUMAN 17108108 "Iurisci I, Filipski E, Reinhardt J, Bach S, Gianella-Borradori A, Iacobelli S, Meijer L, Levi F: Improved tumor control through circadian clock induction by Seliciclib, a cyclin-dependent kinase inhibitor. Cancer Res. 2006 Nov 15;66(22):10720-8." Investigational 6-alkylaminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors" CC[C@H](CO)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C(C)C)C2=N1 Seliciclib CHEMBL14762 DB06195 Seliciclib BE0000923 MAPK1 P28482 MK01_HUMAN 17108108 "Iurisci I, Filipski E, Reinhardt J, Bach S, Gianella-Borradori A, Iacobelli S, Meijer L, Levi F: Improved tumor control through circadian clock induction by Seliciclib, a cyclin-dependent kinase inhibitor. Cancer Res. 2006 Nov 15;66(22):10720-8." Investigational 6-alkylaminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors" CC[C@H](CO)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C(C)C)C2=N1 Seliciclib CHEMBL14762 DB06195 Seliciclib BE0001913 CDK7 P50613 CDK7_HUMAN 17108108 "Iurisci I, Filipski E, Reinhardt J, Bach S, Gianella-Borradori A, Iacobelli S, Meijer L, Levi F: Improved tumor control through circadian clock induction by Seliciclib, a cyclin-dependent kinase inhibitor. Cancer Res. 2006 Nov 15;66(22):10720-8." Investigational 6-alkylaminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors" CC[C@H](CO)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C(C)C)C2=N1 Seliciclib CHEMBL14762 DB06195 Seliciclib BE0002207 CDK9 P50750 CDK9_HUMAN 17108108 "Iurisci I, Filipski E, Reinhardt J, Bach S, Gianella-Borradori A, Iacobelli S, Meijer L, Levi F: Improved tumor control through circadian clock induction by Seliciclib, a cyclin-dependent kinase inhibitor. Cancer Res. 2006 Nov 15;66(22):10720-8." Investigational 6-alkylaminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors" CC[C@H](CO)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C(C)C)C2=N1 Seliciclib CHEMBL14762 DB06196 Icatibant BE0003513 BDKRB2 P30411 BKRB2_HUMAN antagonist 14514033; 11752352 "Privitera PJ, Beckstead RM, Yates P, Walgren R: Autoradiographic localization of [125I-Tyr0]bradykinin binding sites in brains of Wistar-Kyoto and spontaneously hypertensive rats. Cell Mol Neurobiol. 2003 Oct;23(4-5):805-15.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Kinins; Sensory System Agents; Inflammation Mediators; Intercellular Signaling Peptides and Proteins; Anti-Inflammatory Agents; Agents causing angioedema; Bradykinin Receptor Antagonists; Amino Acids, Peptides, and Proteins; Drugs Used in Hereditary Angioedema; Immunologic Factors; Nerve Tissue Proteins; Complement Inactivating Agents; Proteins; Drugs that are Mainly Renally Excreted; Biological Factors; Oligopeptides; Analgesics, Non-Narcotic; Neuropeptides; Peptides; Bradykinin B2 Receptor Antagonists; Analgesics; Peripheral Nervous System Agents; Autacoids; Antirheumatic Agents" 22341 99443237 D04492 PA164749185 DCL000131 Icatibant CHEMBL2028850 1148138 DB06201 Rufinamide BE0001143 SCN9A Q15858 SCN9A_HUMAN modulator 23221868 "Suter MR, Kirschmann G, Laedermann CJ, Abriel H, Decosterd I: Rufinamide attenuates mechanical allodynia in a model of neuropathic pain in the mouse and stabilizes voltage-gated sodium channel inactivated state. Anesthesiology. 2013 Jan;118(1):160-72. doi: 10.1097/ALN.0b013e318278cade." Approved 2-heteroaryl carboxamides Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives Sodium Channel Blockers; Cytochrome P-450 CYP2E1 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Miscellaneous Anticonvulsants; Voltage-Gated Sodium Channel Blockers; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inducers; Carboxamide Derivatives; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inducers (weak); Membrane Transport Modulators; Anticonvulsants NC(=O)C1=CN(CC2=C(F)C=CC=C2F)N=N1 20811 175427055 D05775 PA166131606 Rufinamide CHEMBL1201754 69036 DB06201 Rufinamide BE0001192 GRM5 P41594 GRM5_HUMAN inhibitor 21351809 "Wier HA, Cerna A, So TY: Rufinamide for pediatric patients with Lennox-Gastaut syndrome: a comprehensive overview. Paediatr Drugs. 2011 Apr 1;13(2):97-106. doi: 10.2165/11586920-000000000-00000." Approved 2-heteroaryl carboxamides Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives Sodium Channel Blockers; Cytochrome P-450 CYP2E1 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Miscellaneous Anticonvulsants; Voltage-Gated Sodium Channel Blockers; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inducers; Carboxamide Derivatives; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inducers (weak); Membrane Transport Modulators; Anticonvulsants NC(=O)C1=CN(CC2=C(F)C=CC=C2F)N=N1 20811 175427055 D05775 PA166131606 Rufinamide CHEMBL1201754 69036 DB06202 Lasofoxifene BE0000123 ESR1 P03372 ESR1_HUMAN antagonist 17456742 "Vajdos FF, Hoth LR, Geoghegan KF, Simons SP, LeMotte PK, Danley DE, Ammirati MJ, Pandit J: The 2.0 A crystal structure of the ERalpha ligand-binding domain complexed with lasofoxifene. Protein Sci. 2007 May;16(5):897-905." Approved; Investigational Phenylnaphthalenes Organic compounds; Benzenoids; Naphthalenes; Phenylnaphthalenes Selective Estrogen Receptor Modulators; Naphthalenes; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones [H][C@@]1(CCC2=CC(O)=CC=C2[C@@]1([H])C1=CC=C(OCCN2CCCC2)C=C1)C1=CC=CC=C1 347827762 D04672 Lasofoxifene CHEMBL328190 DB06202 Lasofoxifene BE0000792 ESR2 Q92731 ESR2_HUMAN agonist 19519291 "Peng J, Sengupta S, Jordan VC: Potential of selective estrogen receptor modulators as treatments and preventives of breast cancer. Anticancer Agents Med Chem. 2009 Jun;9(5):481-99." Approved; Investigational Phenylnaphthalenes Organic compounds; Benzenoids; Naphthalenes; Phenylnaphthalenes Selective Estrogen Receptor Modulators; Naphthalenes; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones [H][C@@]1(CCC2=CC(O)=CC=C2[C@@]1([H])C1=CC=C(OCCN2CCCC2)C=C1)C1=CC=CC=C1 347827762 D04672 Lasofoxifene CHEMBL328190 DB06204 Tapentadol BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 10592235; 24015138; 27413479; 36974332 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Singh DR, Nag K, Shetti AN, Krishnaveni N: Tapentadol hydrochloride: A novel analgesic. Saudi J Anaesth. 2013 Jul;7(3):322-6. doi: 10.4103/1658-354X.115319.@@Chang EJ, Choi EJ, Kim KH: Tapentadol: Can It Kill Two Birds with One Stone without Breaking Windows? Korean J Pain. 2016 Jul;29(3):153-7. doi: 10.3344/kjp.2016.29.3.153. Epub 2016 Jul 1.@@Alshehri FS: Tapentadol: A Review of Experimental Pharmacology Studies, Clinical Trials, and Recent Findings. Drug Des Devel Ther. 2023 Mar 21;17:851-861. doi: 10.2147/DDDT.S402362. eCollection 2023." Approved Phenylpropanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes Sensory System Agents; UGT2B7 substrates; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Phenols; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Opiate Agonists; Opioid Agonist; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Neurotransmitter Agents; Nervous System; Adrenergic Agents; Opioids CC[C@H]([C@@H](C)CN(C)C)C1=CC(O)=CC=C1 20642 175427057 D06007 PA166179720 Tapentadol CHEMBL1201776 787390 DB06204 Tapentadol BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 10592235; 24015138; 27413479; 36974332 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Singh DR, Nag K, Shetti AN, Krishnaveni N: Tapentadol hydrochloride: A novel analgesic. Saudi J Anaesth. 2013 Jul;7(3):322-6. doi: 10.4103/1658-354X.115319.@@Chang EJ, Choi EJ, Kim KH: Tapentadol: Can It Kill Two Birds with One Stone without Breaking Windows? Korean J Pain. 2016 Jul;29(3):153-7. doi: 10.3344/kjp.2016.29.3.153. Epub 2016 Jul 1.@@Alshehri FS: Tapentadol: A Review of Experimental Pharmacology Studies, Clinical Trials, and Recent Findings. Drug Des Devel Ther. 2023 Mar 21;17:851-861. doi: 10.2147/DDDT.S402362. eCollection 2023." Approved Phenylpropanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes Sensory System Agents; UGT2B7 substrates; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Phenols; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Opiate Agonists; Opioid Agonist; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Neurotransmitter Agents; Nervous System; Adrenergic Agents; Opioids CC[C@H]([C@@H](C)CN(C)C)C1=CC(O)=CC=C1 20642 175427057 D06007 PA166179720 Tapentadol CHEMBL1201776 787390 DB06205 Hyaluronidase (human recombinant) BE0000984 TGFB1 P01137 TGFB1_HUMAN inhibitor 11327694; 7648625; 9435505; 9850732 "Chang NS: Hyaluronidase activation of c-Jun N-terminal kinase is necessary for protection of L929 fibrosarcoma cells from staurosporine-mediated cell death. Biochem Biophys Res Commun. 2001 May 4;283(2):278-86.@@Locci P, Marinucci L, Lilli C, Martinese D, Becchetti E: Transforming growth factor beta 1-hyaluronic acid interaction. Cell Tissue Res. 1995 Aug;281(2):317-24.@@Chang NS: Hyaluronidase enhancement of TNF-mediated cell death is reversed by TGF-beta 1. Am J Physiol. 1997 Dec;273(6 Pt 1):C1987-94.@@Chang NS: Transforming growth factor-beta protection of cancer cells against tumor necrosis factor cytotoxicity is counteracted by hyaluronidase (review). Int J Mol Med. 1998 Dec;2(6):653-9." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Lyases; Polysaccharide-Lyases; Glycoside Hydrolases; Carbon-Oxygen Lyases; Blood and Blood Forming Organs; Enzymes and Coenzymes; Hydrolases; Hyaluronoglucosaminidase, antagonists & inhibitors; Enzymes" 23269 347910342 Hyaluronidase 1300478 DB06207 Silodosin BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist 10592235; 24198606 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Yamanishi T, Mizuno T, Kamai T, Yoshida K, Sakakibara R, Uchiyama T: Management of benign prostatic hyperplasia with silodosin. Open Access J Urol. 2009 Aug 20;1:1-7. doi: 10.2147/rru.s5004." Approved Indolecarboxamides and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives "UGT2B7 substrates; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Urological Agents; Cytochrome P-450 Substrates; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Selective Alfa-1-adrenergic Blocking Agents; Neurotransmitter Agents; Adrenergic Agents; Drugs Used in Benign Prostatic Hypertrophy" C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F 20659 175427058 D01965 PA165291889 Silodosin CHEMBL24778 720825 DB06207 Silodosin BE0009629 KCNH2 Q9NS40 KCNH7_HUMAN blocker 17225563 "Tatemichi S, Kiguchi S, Kobayashi M, Yamazaki Y, Shibata N, Uruno T: Cardiovascular effects of the selective alphalA-adrenoceptor antagonist silodosin (KMD-3213), a drug for the treatment of voiding dysfunction. Arzneimittelforschung. 2006;56(10):682-7. doi: 10.1055/s-0031-1296773." Approved Indolecarboxamides and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives "UGT2B7 substrates; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Urological Agents; Cytochrome P-450 Substrates; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Selective Alfa-1-adrenergic Blocking Agents; Neurotransmitter Agents; Adrenergic Agents; Drugs Used in Benign Prostatic Hypertrophy" C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F 20659 175427058 D01965 PA165291889 Silodosin CHEMBL24778 720825 DB06209 Prasugrel BE0000110 P2RY12 Q9H244 P2Y12_HUMAN antagonist 18485086 "Dovlatova NL, Jakubowski JA, Sugidachi A, Heptinstall S: The reversible P2Y antagonist cangrelor influences the ability of the active metabolites of clopidogrel and prasugrel to produce irreversible inhibition of platelet function. J Thromb Haemost. 2008 Jul;6(7):1153-9. doi: 10.1111/j.1538-7836.2008.03020.x. Epub 2008 Jul 1." Approved Thienopyridines Organic compounds; Organoheterocyclic compounds; Thienopyridines Purinergic P2Y Receptor Antagonists; Piperazines; Anticoagulants; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Platelet Aggregation Inhibitors Excl. Heparin; Drugs that are Mainly Renally Excreted; P2Y12 Platelet Inhibitor; Antiplatelet agents; Cytochrome P-450 CYP2C19 Substrates; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Substrates; Decreased Platelet Aggregation; Cytochrome P-450 CYP2C9 Substrates; Thiophenes; Hematologic Agents; Sulfur Compounds CC(=O)OC1=CC2=C(CCN(C2)C(C(=O)C2CC2)C2=CC=CC=C2F)S1 20588 99443238 D05597 PA154410481 Prasugrel CHEMBL1201772 613391 DB06210 Eltrombopag BE0003440 MPL P40238 TPOR_HUMAN agonist 19642221 Kuter DJ: Thrombopoietin and thrombopoietin mimetics in the treatment of thrombocytopenia. Annu Rev Med. 2009;60:193-206. Approved Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives "Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; UGT1A6 Inhibitors; Increased Platelet Production; Benzene Derivatives; UGT1A1 Inhibitors; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Increased Megakaryocyte Maturation; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); UGT2B15 Inhibitors; Thrombopoietin Receptor Agonists; UGT1A3 substrates; Blood and Blood Forming Organs; Acids, Carbocyclic; Hematinics; Hemostatics; UGT1A4 Inhibitors; UGT2B7 Inhibitors; UGT1A3 Inhibitors; UGT1A1 Substrates; Thrombopoietin Receptor Agonist; Cytochrome P-450 CYP1A2 Substrates" CC1=NN(C(=O)\C1=N/NC1=CC=CC(C2=CC=CC(=C2)C(O)=O)=C1O)C1=CC=C(C)C(C)=C1 20661 175427059 D03978 Eltrombopag CHEMBL461101 711942 DB06212 Tolvaptan BE0000165 AVPR1A P37288 V1AR_HUMAN antagonist 20637957 "Nemerovski C, Hutchinson DJ: Treatment of hypervolemic or euvolemic hyponatremia associated with heart failure, cirrhosis, or the syndrome of inappropriate antidiuretic hormone with tolvaptan: a clinical review. Clin Ther. 2010 Jun;32(6):1015-32. doi: 10.1016/j.clinthera.2010.06.015." Approved Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "Natriuretic Agents; P-glycoprotein inhibitors; Cardiovascular Agents; Benzazepines; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Diuretics; Vasopressin V2 Receptor Antagonist; Cytochrome P-450 CYP3A Substrates; Narrow Therapeutic Index Drugs; Antidiuretic Hormone Receptor Antagonists; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Vasopressin V2 Receptor Antagonists" CC1=CC=CC=C1C(=O)NC1=CC(C)=C(C=C1)C(=O)N1CCC[C@@H](O)C2=C1C=CC(Cl)=C2 20872 175427060 D01213 Tolvaptan CHEMBL344159 358257 DB06213 Regadenoson BE0000924 ADORA2A P29274 AA2AR_HUMAN agonist 22130964 "Zoghbi GJ, Iskandrian AE: Selective adenosine agonists and myocardial perfusion imaging. J Nucl Cardiol. 2012 Feb;19(1):126-41. doi: 10.1007/s12350-011-9474-9." Approved; Investigational Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" "Pharmacologic Cardiac Stress Test Agent; Purinergic Agonists; Heterocyclic Compounds, Fused-Ring; Cardiac Therapy; Neurotransmitter Agents; Purinergic Agents; Purinergic P1 Receptor Agonists; Adenosine A2 Receptor Agonists; Adenosine A receptor agonists" CNC(=O)C1=CN(N=C1)C1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(N)=N1 175427061 D05711 PA166129536 Regadenoson CHEMBL317052 1546015 DB06216 Asenapine BE0000393 HTR2B P41595 5HT2B_HUMAN antagonist 21655346; 18308814 "Citrome L: Role of sublingual asenapine in treatment of schizophrenia. Neuropsychiatr Dis Treat. 2011;7:325-39. doi: 10.2147/NDT.S16077. Epub 2011 May 26.@@Shahid M, Walker GB, Zorn SH, Wong EH: Asenapine: a novel psychopharmacologic agent with a unique human receptor signature. J Psychopharmacol. 2009 Jan;23(1):65-73. doi: 10.1177/0269881107082944. Epub 2008 Feb 28." Approved "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Benzocycloheptenes; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1 21015 175427062 D02995 Asenapine CHEMBL3187365 784649 DB06216 Asenapine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 10592235; 21655346; 18308814 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Citrome L: Role of sublingual asenapine in treatment of schizophrenia. Neuropsychiatr Dis Treat. 2011;7:325-39. doi: 10.2147/NDT.S16077. Epub 2011 May 26.@@Shahid M, Walker GB, Zorn SH, Wong EH: Asenapine: a novel psychopharmacologic agent with a unique human receptor signature. J Psychopharmacol. 2009 Jan;23(1):65-73. doi: 10.1177/0269881107082944. Epub 2008 Feb 28." Approved "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Benzocycloheptenes; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1 21015 175427062 D02995 Asenapine CHEMBL3187365 784649 DB06216 Asenapine BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 21655346; 18308814 "Citrome L: Role of sublingual asenapine in treatment of schizophrenia. Neuropsychiatr Dis Treat. 2011;7:325-39. doi: 10.2147/NDT.S16077. Epub 2011 May 26.@@Shahid M, Walker GB, Zorn SH, Wong EH: Asenapine: a novel psychopharmacologic agent with a unique human receptor signature. J Psychopharmacol. 2009 Jan;23(1):65-73. doi: 10.1177/0269881107082944. Epub 2008 Feb 28." Approved "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Benzocycloheptenes; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1 21015 175427062 D02995 Asenapine CHEMBL3187365 784649 DB06216 Asenapine BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 21655346; 21658377; 18308814 "Citrome L: Role of sublingual asenapine in treatment of schizophrenia. Neuropsychiatr Dis Treat. 2011;7:325-39. doi: 10.2147/NDT.S16077. Epub 2011 May 26.@@Tadori Y, Forbes RA, McQuade RD, Kikuchi T: Functional potencies of dopamine agonists and antagonists at human dopamine D(2) and D(3) receptors. Eur J Pharmacol. 2011 Sep;666(1-3):43-52. doi: 10.1016/j.ejphar.2011.05.050. Epub 2011 Jun 1.@@Shahid M, Walker GB, Zorn SH, Wong EH: Asenapine: a novel psychopharmacologic agent with a unique human receptor signature. J Psychopharmacol. 2009 Jan;23(1):65-73. doi: 10.1177/0269881107082944. Epub 2008 Feb 28." Approved "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Benzocycloheptenes; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1 21015 175427062 D02995 Asenapine CHEMBL3187365 784649 DB06216 Asenapine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 21655346; 18308814 "Citrome L: Role of sublingual asenapine in treatment of schizophrenia. Neuropsychiatr Dis Treat. 2011;7:325-39. doi: 10.2147/NDT.S16077. Epub 2011 May 26.@@Shahid M, Walker GB, Zorn SH, Wong EH: Asenapine: a novel psychopharmacologic agent with a unique human receptor signature. J Psychopharmacol. 2009 Jan;23(1):65-73. doi: 10.1177/0269881107082944. Epub 2008 Feb 28." Approved "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Benzocycloheptenes; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1 21015 175427062 D02995 Asenapine CHEMBL3187365 784649 DB06216 Asenapine BE0000112 HRH2 P25021 HRH2_HUMAN antagonist 21655346; 18308814 "Citrome L: Role of sublingual asenapine in treatment of schizophrenia. Neuropsychiatr Dis Treat. 2011;7:325-39. doi: 10.2147/NDT.S16077. Epub 2011 May 26.@@Shahid M, Walker GB, Zorn SH, Wong EH: Asenapine: a novel psychopharmacologic agent with a unique human receptor signature. J Psychopharmacol. 2009 Jan;23(1):65-73. doi: 10.1177/0269881107082944. Epub 2008 Feb 28." Approved "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Benzocycloheptenes; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Substrates" CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1 21015 175427062 D02995 Asenapine CHEMBL3187365 784649 DB06217 Vernakalant BE0003604 KCND3 Q9UK17 KCND3_HUMAN blocker "Dia E.Q., Rathbun R.A., Song J.C.: Vernakalant: A novel antiarrhythmic agent for the treatment of atrial fibrillation Formulary. 2007 August 1;42:475-483." Approved; Investigational Tyrosols and derivatives Organic compounds; Benzenoids; Phenols; Tyrosols and derivatives "Antiarrhythmic agents; Cytochrome P-450 CYP2D6 Inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Methyl Ethers; QTc Prolonging Agents; Cardiac Therapy; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Phenyl Ethers; Ethers; Benzene Derivatives; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmics, Class III" COC1=C(OC)C=C(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)C=C1 22861 347827765 D06665 Vernakalant CHEMBL2111112 DB06218 Lacosamide BE0001143 SCN9A Q15858 SCN9A_HUMAN blocker 18378801 "Sheets PL, Heers C, Stoehr T, Cummins TR: Differential block of sensory neuronal voltage-gated sodium channels by lacosamide [(2R)-2-(acetylamino)-N-benzyl-3-methoxypropanamide], lidocaine, and carbamazepine. J Pharmacol Exp Ther. 2008 Jul;326(1):89-99. doi: 10.1124/jpet.107.133413. Epub 2008 Mar 31." Approved N-acyl-alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Sodium Channel Blockers; Cytochrome P-450 CYP3A Substrates; Amides; Hydrocarbons, Acyclic; Miscellaneous Anticonvulsants; Cardiovascular Agents; Acetamides; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkanes; Acetates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Voltage-Gated Sodium Channel Blockers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants" COC[C@@H](NC(C)=O)C(=O)NCC1=CC=CC=C1 20636 175427063 D07299 PA166160048 Lacosamide CHEMBL58323 623400 DB06218 Lacosamide BE0002082 SCN3A Q9NY46 SCN3A_HUMAN blocker 10592235; 18378801 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Sheets PL, Heers C, Stoehr T, Cummins TR: Differential block of sensory neuronal voltage-gated sodium channels by lacosamide [(2R)-2-(acetylamino)-N-benzyl-3-methoxypropanamide], lidocaine, and carbamazepine. J Pharmacol Exp Ther. 2008 Jul;326(1):89-99. doi: 10.1124/jpet.107.133413. Epub 2008 Mar 31." Approved N-acyl-alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Sodium Channel Blockers; Cytochrome P-450 CYP3A Substrates; Amides; Hydrocarbons, Acyclic; Miscellaneous Anticonvulsants; Cardiovascular Agents; Acetamides; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkanes; Acetates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Voltage-Gated Sodium Channel Blockers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants" COC[C@@H](NC(C)=O)C(=O)NCC1=CC=CC=C1 20636 175427063 D07299 PA166160048 Lacosamide CHEMBL58323 623400 DB06228 Rivaroxaban BE0000216 F10 P00742 FA10_HUMAN antagonist 20424181; 20135071; 10592235 "Melillo SN, Scanlon JV, Exter BP, Steinberg M, Jarvis CI: Rivaroxaban for thromboprophylaxis in patients undergoing major orthopedic surgery. Ann Pharmacother. 2010 Jun;44(6):1061-71. doi: 10.1345/aph.1M681. Epub 2010 Apr 27.@@Ufer M: Comparative efficacy and safety of the novel oral anticoagulants dabigatran, rivaroxaban and apixaban in preclinical and clinical development. Thromb Haemost. 2010 Mar;103(3):572-85. doi: 10.1160/TH09-09-0659. Epub 2010 Feb 2.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Phenylmorpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines Protease Inhibitors; Enzyme Inhibitors; Anticoagulants; Cytochrome P-450 CYP3A Substrates; Direct factor Xa inhibitors; Cytochrome P-450 Substrates; Oxazines; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP3A5 Substrates; Blood and Blood Forming Organs; Factor Xa Inhibitors; Morpholines; Cytochrome P-450 CYP3A4 Substrates; Serine Protease Inhibitors; Thiophenes; Hematologic Agents; Sulfur Compounds; Antithrombins ClC1=CC=C(S1)C(=O)NC[C@H]1CN(C(=O)O1)C1=CC=C(C=C1)N1CCOCC1=O 20387 175427064 D07086 Rivaroxaban CHEMBL198362 1114195 DB06229 Ocaperidone BE0000442 HRH1 P35367 HRH1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Pyridopyrimidines Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines Pyrimidines CC1=CC=CN2C(=O)C(CCN3CCC(CC3)C3=NOC4=CC(F)=CC=C34)=C(C)N=C12 Ocaperidone CHEMBL2104619 DB06229 Ocaperidone BE0000715 ADRA1D P25100 ADA1D_HUMAN Investigational Pyridopyrimidines Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines Pyrimidines CC1=CC=CN2C(=O)C(CCN3CCC(CC3)C3=NOC4=CC(F)=CC=C34)=C(C)N=C12 Ocaperidone CHEMBL2104619 DB06229 Ocaperidone BE0000393 HTR2B P41595 5HT2B_HUMAN Investigational Pyridopyrimidines Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines Pyrimidines CC1=CC=CN2C(=O)C(CCN3CCC(CC3)C3=NOC4=CC(F)=CC=C34)=C(C)N=C12 Ocaperidone CHEMBL2104619 DB06229 Ocaperidone BE0000533 HTR2C P28335 5HT2C_HUMAN Investigational Pyridopyrimidines Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines Pyrimidines CC1=CC=CN2C(=O)C(CCN3CCC(CC3)C3=NOC4=CC(F)=CC=C34)=C(C)N=C12 Ocaperidone CHEMBL2104619 DB06230 Nalmefene BE0000420 OPRD1 P41143 OPRD_HUMAN antagonist 15956985; 25187751; 27842940 "Ingman K, Hagelberg N, Aalto S, Nagren K, Juhakoski A, Karhuvaara S, Kallio A, Oikonen V, Hietala J, Scheinin H: Prolonged central mu-opioid receptor occupancy after single and repeated nalmefene dosing. Neuropsychopharmacology. 2005 Dec;30(12):2245-53.@@Paille F, Martini H: Nalmefene: a new approach to the treatment of alcohol dependence. Subst Abuse Rehabil. 2014 Aug 8;5:87-94. doi: 10.2147/SAR.S45666. eCollection 2014.@@Mann K, Torup L, Sorensen P, Gual A, Swift R, Walker B, van den Brink W: Nalmefene for the management of alcohol dependence: review on its pharmacology, mechanism of action and meta-analysis on its clinical efficacy. Eur Neuropsychopharmacol. 2016 Dec;26(12):1941-1949. doi: 10.1016/j.euroneuro.2016.10.008. Epub 2016 Nov 12." Approved; Investigational; Withdrawn Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; Opioid Antagonists; Drugs Used in Addictive Disorders; Cytochrome P-450 Substrates; Alkaloids; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A5 Substrates; Drugs Used in Alcohol Dependence; Heterocyclic Compounds, Fused-Ring; Antidotes; UGT1A3 substrates; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Phenanthrenes; Morphinans; Central Nervous System Agents; Nervous System; Opiate Alkaloids" OC1=CC=C2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](OC1=C24)C(=C)CC[C@@]35O D05111 Nalmefene CHEMBL982 31479 DB06230 Nalmefene BE0000770 OPRM1 P35372 OPRM_HUMAN antagonist 27842940; 15956985 "Mann K, Torup L, Sorensen P, Gual A, Swift R, Walker B, van den Brink W: Nalmefene for the management of alcohol dependence: review on its pharmacology, mechanism of action and meta-analysis on its clinical efficacy. Eur Neuropsychopharmacol. 2016 Dec;26(12):1941-1949. doi: 10.1016/j.euroneuro.2016.10.008. Epub 2016 Nov 12.@@Ingman K, Hagelberg N, Aalto S, Nagren K, Juhakoski A, Karhuvaara S, Kallio A, Oikonen V, Hietala J, Scheinin H: Prolonged central mu-opioid receptor occupancy after single and repeated nalmefene dosing. Neuropsychopharmacology. 2005 Dec;30(12):2245-53." Approved; Investigational; Withdrawn Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; Opioid Antagonists; Drugs Used in Addictive Disorders; Cytochrome P-450 Substrates; Alkaloids; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A5 Substrates; Drugs Used in Alcohol Dependence; Heterocyclic Compounds, Fused-Ring; Antidotes; UGT1A3 substrates; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Phenanthrenes; Morphinans; Central Nervous System Agents; Nervous System; Opiate Alkaloids" OC1=CC=C2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](OC1=C24)C(=C)CC[C@@]35O D05111 Nalmefene CHEMBL982 31479 DB06231 Caldaret BE0000986 SLC8A1 P32418 NAC1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Sulfur Acids; Arylsulfonic Acids; Arylsulfonates; Sulfur Compounds; Sulfonic Acids; Benzene Derivatives CC1=CC=C(N2CCNCC2)C(=C1)S(O)(=O)=O CHEMBL2106572 DB06233 Ridaforolimus BE0002386 MTOR P42345 MTOR_HUMAN inhibitor 23841999; 26199039; 25290091 "Bachegowda L, Gligich O, Mantzaris I, Schinke C, Wyville D, Carrillo T, Braunschweig I, Steidl U, Verma A: Signal transduction inhibitors in treatment of myelodysplastic syndromes. J Hematol Oncol. 2013 Jul 10;6:50. doi: 10.1186/1756-8722-6-50.@@Piha-Paul SA, Munster PN, Hollebecque A, Argiles G, Dajani O, Cheng JD, Wang R, Swift A, Tosolini A, Gupta S: Results of a phase 1 trial combining ridaforolimus and MK-0752 in patients with advanced solid tumours. Eur J Cancer. 2015 Sep;51(14):1865-73. doi: 10.1016/j.ejca.2015.06.115. Epub 2015 Jul 18.@@Brana I, Berger R, Golan T, Haluska P, Edenfield J, Fiorica J, Stephenson J, Martin LP, Westin S, Hanjani P, Jones MB, Almhanna K, Wenham RM, Sullivan DM, Dalton WS, Gunchenko A, Cheng JD, Siu LL, Gray JE: A parallel-arm phase I trial of the humanised anti-IGF-1R antibody dalotuzumab in combination with the AKT inhibitor MK-2206, the mTOR inhibitor ridaforolimus, or the NOTCH inhibitor MK-0752, in patients with advanced solid tumours. Br J Cancer. 2014 Nov 11;111(10):1932-44. doi: 10.1038/bjc.2014.497. Epub 2014 Oct 7." Investigational Macrolide lactams Organic compounds; Phenylpropanoids and polyketides; Macrolide lactams Antineoplastic and Immunomodulating Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Macrolides; Mammalian target of rapamycin (mTOR) kinase inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OP(C)(C)=O Deforolimus CHEMBL2103839 DB06237 Avanafil BE0000182 PDE5A O76074 PDE5A_HUMAN inhibitor 23372609 "Kedia GT, Uckert S, Assadi-Pour F, Kuczyk MA, Albrecht K: Avanafil for the treatment of erectile dysfunction: initial data and clinical key properties. Ther Adv Urol. 2013 Feb;5(1):35-41. doi: 10.1177/1756287212466282." Approved Pyrimidinecarboxamides Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives BCRP/ABCG2 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Vasodilating Agents; Cytochrome P-450 CYP3A Substrates; Urologicals; Phosphodiesterase 5 Inhibitors; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Drugs Used in Erectile Dysfunction; Phosphodiesterase Inhibitors COC1=C(Cl)C=C(CNC2=C(C=NC(=N2)N2CCC[C@H]2CO)C(=O)NCC2=NC=CC=N2)C=C1 175427065 D03217 Avanafil CHEMBL1963681 1291301 DB06240 Tariquidar BE0001032 ABCB1 P08183 MDR1_HUMAN Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Drug Resistance, Multiple" COC1=CC2=C(CN(CCC3=CC=C(NC(=O)C4=CC(OC)=C(OC)C=C4NC(=O)C4=CN=C5C=CC=CC5=C4)C=C3)CC2)C=C1OC Tariquidar CHEMBL348475 DB06241 Clenoliximab BE0003488 CD4 P01730 CD4_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Immunoglobulins; Serum Globulins; Immunoproteins; Antigens, CD4; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" Clenoliximab DB06243 Eflornithine BE0000404 ODC1 P11926 DCOR_HUMAN inhibitor 1730582 "Poulin R, Lu L, Ackermann B, Bey P, Pegg AE: Mechanism of the irreversible inactivation of mouse ornithine decarboxylase by alpha-difluoromethylornithine. Characterization of sequences at the inhibitor and coenzyme binding sites. J Biol Chem. 1992 Jan 5;267(1):150-8." Approved; Withdrawn Alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Basic; Anti-Infective Agents; Enzyme Inhibitors; Ornithine Decarboxylase Inhibitors; Amino Acids, Peptides, and Proteins; Antiparasitic Products, Insecticides and Repellents; Trypanocidal Agents; Antiprotozoals; Decarboxylase Inhibitor; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Decarboxylase Inhibitors; Agents Against Leishmaniasis and Trypanosomiasis; Amino Acids, Diamino; Antiparasitic Agents; Antineoplastic Agents" NCCCC(N)(C(F)F)C(O)=O 12187 310264864 D07883 Eflornithine CHEMBL830 569 DB06245 Lanoteplase BE0000717 PLAUR Q03405 UPAR_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes" DB06245 Lanoteplase BE0002103 LAMA5 O15230 LAMA5_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes" DB06245 Lanoteplase BE0000216 F10 P00742 FA10_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes" DB06245 Lanoteplase BE0001180 FN1 P02751 FINC_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes" DB06245 Lanoteplase BE0002104 CLEC3B P05452 TETN_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes" DB06245 Lanoteplase BE0001170 ANXA2 P07355 ANXA2_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes" DB06245 Lanoteplase BE0002106 LAMB1 P07942 LAMB1_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes" DB06245 Lanoteplase BE0002107 LAMC1 P11047 LAMC1_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes" DB06245 Lanoteplase BE0002108 LAMA1 P25391 LAMA1_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes" DB06245 Lanoteplase BE0002109 CALR P27797 CALR_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes" DB06245 Lanoteplase BE0001011 CANX P27824 CALX_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes" DB06245 Lanoteplase BE0002110 LRP1 Q07954 LRP1_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes" DB06245 Lanoteplase BE0002111 LAMA3 Q16787 LAMA3_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes" DB06246 Exisulind BE0001287 PDE4D Q08499 PDE4D_HUMAN Investigational "Sensory System Agents; Cyclooxygenase Inhibitors; Anticarcinogenic Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Analgesics, Non-Narcotic; Indenes; Protective Agents; Antirheumatic Agents; Peripheral Nervous System Agents; Analgesics; Antineoplastic Agents; Compounds used in a research, industrial, or household setting" CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)(=O)=O Exisulind CHEMBL488025 DB06246 Exisulind BE0000182 PDE5A O76074 PDE5A_HUMAN Investigational "Sensory System Agents; Cyclooxygenase Inhibitors; Anticarcinogenic Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Analgesics, Non-Narcotic; Indenes; Protective Agents; Antirheumatic Agents; Peripheral Nervous System Agents; Analgesics; Antineoplastic Agents; Compounds used in a research, industrial, or household setting" CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)(=O)=O Exisulind CHEMBL488025 DB06246 Exisulind BE0002085 PDE2A O00408 PDE2A_HUMAN Investigational "Sensory System Agents; Cyclooxygenase Inhibitors; Anticarcinogenic Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Analgesics, Non-Narcotic; Indenes; Protective Agents; Antirheumatic Agents; Peripheral Nervous System Agents; Analgesics; Antineoplastic Agents; Compounds used in a research, industrial, or household setting" CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)(=O)=O Exisulind CHEMBL488025 DB06247 CX516 BE0000640 GRIA1 P42261 GRIA1_HUMAN Investigational N-benzoylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; N-acylpiperidines "Receptors, AMPA" O=C(N1CCCCC1)C1=CC2=C(C=C1)N=CC=N2 CX-516 CHEMBL136800 DB06249 Arzoxifene BE0000123 ESR1 P03372 ESR1_HUMAN Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers Sulfur Compounds COC1=CC=C(C=C1)C1=C(OC2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2 Arzoxifene CHEMBL226267 DB06249 Arzoxifene BE0000792 ESR2 Q92731 ESR2_HUMAN Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers Sulfur Compounds COC1=CC=C(C=C1)C1=C(OC2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2 Arzoxifene CHEMBL226267 DB06255 Incadronic acid BE0000776 FDPS P14324 FPPS_HUMAN inhibitor 23044853 "Miwa A, Takezako N, Hayakawa H, Hayakawa M, Tominaga S, Yanagisawa K: YM-175 induces apoptosis of human native monocyte-lineage cells via inhibition of prenylation. Am J Hematol. 2012 Dec;87(12):1084-8. doi: 10.1002/ajh.23328. Epub 2012 Oct 9." Experimental Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates Organophosphonates; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Antineoplastic Agents OP(O)(=O)C(NC1CCCCCC1)P(O)(O)=O 175427066 Incadronic_acid CHEMBL53950 DB06255 Incadronic acid BE0001162 CASP3 P42574 CASP3_HUMAN activator 23044853 "Miwa A, Takezako N, Hayakawa H, Hayakawa M, Tominaga S, Yanagisawa K: YM-175 induces apoptosis of human native monocyte-lineage cells via inhibition of prenylation. Am J Hematol. 2012 Dec;87(12):1084-8. doi: 10.1002/ajh.23328. Epub 2012 Oct 9." Experimental Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates Organophosphonates; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Antineoplastic Agents OP(O)(=O)C(NC1CCCCCC1)P(O)(O)=O 175427066 Incadronic_acid CHEMBL53950 DB06255 Incadronic acid BE0009964 CASP4 P49662 CASP4_HUMAN activator 23044853 "Miwa A, Takezako N, Hayakawa H, Hayakawa M, Tominaga S, Yanagisawa K: YM-175 induces apoptosis of human native monocyte-lineage cells via inhibition of prenylation. Am J Hematol. 2012 Dec;87(12):1084-8. doi: 10.1002/ajh.23328. Epub 2012 Oct 9." Experimental Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates Organophosphonates; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Antineoplastic Agents OP(O)(=O)C(NC1CCCCCC1)P(O)(O)=O 175427066 Incadronic_acid CHEMBL53950 DB06255 Incadronic acid BE0001826 CASP7 P55210 CASP7_HUMAN activator 23044853 "Miwa A, Takezako N, Hayakawa H, Hayakawa M, Tominaga S, Yanagisawa K: YM-175 induces apoptosis of human native monocyte-lineage cells via inhibition of prenylation. Am J Hematol. 2012 Dec;87(12):1084-8. doi: 10.1002/ajh.23328. Epub 2012 Oct 9." Experimental Bisphosphonates Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates Organophosphonates; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Antineoplastic Agents OP(O)(=O)C(NC1CCCCCC1)P(O)(O)=O 175427066 Incadronic_acid CHEMBL53950 DB06258 Bimoclomol BE0003514 HSF1 Q00613 HSF1_HUMAN 12893279 "Hargitai J, Lewis H, Boros I, Racz T, Fiser A, Kurucz I, Benjamin I, Vigh L, Penzes Z, Csermely P, Latchman DS: Bimoclomol, a heat shock protein co-inducer, acts by the prolonged activation of heat shock factor-1. Biochem Biophys Res Commun. 2003 Aug 1;307(3):689-95." Investigational Pyridines and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives OC(CO\N=C(/Cl)C1=CN=CC=C1)CN1CCCCC1 CHEMBL2104595 DB06262 Droxidopa BE0000715 ADRA1D P25100 ADA1D_HUMAN agonist 17266602; 20412040; 7582530; 7674815 "Bishop MJ: Recent advances in the discovery of alpha1-adrenoceptor agonists. Curr Top Med Chem. 2007;7(2):135-45.@@Du L, Li M: Modeling the interactions between alpha(1)-adrenergic receptors and their antagonists. Curr Comput Aided Drug Des. 2010 Sep;6(3):165-78.@@Kenny BA, Chalmers DH, Philpott PC, Naylor AM: Characterization of an alpha 1D-adrenoceptor mediating the contractile response of rat aorta to noradrenaline. Br J Pharmacol. 1995 Jul;115(6):981-6.@@Testa R, Destefani C, Guarneri L, Poggesi E, Simonazzi I, Taddei C, Leonardi A: The alpha 1d-adrenoceptor subtype is involved in the noradrenaline-induced contractions of rat aorta. Life Sci. 1995;57(13):PL159-63." Approved; Investigational Tyrosine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Amino Acids, Peptides, and Proteins; Epinephrine and similars; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Amino Acids, Neutral; Increased Blood Pressure; Amino Acids; Adrenergic Agonists; Agents that produce hypertension; Adrenergic alpha-1 Receptor Agonists; Central Nervous System Agents; Cardiac Therapy; Catechols; Adrenergic beta-3 Receptor Agonists; Adrenergic beta-2 Receptor Agonists; Adrenergic beta-1 Receptor Agonists; Anti-Dyskinesia Agents" N[C@@H]([C@H](O)C1=CC(O)=C(O)C=C1)C(O)=O 99443239 D01277 PA164748386 Droxidopa CHEMBL2103827 1489913 DB06262 Droxidopa BE0001012 ADRB3 P13945 ADRB3_HUMAN agonist 19434307; 9464897; 19110970; 18064417 "Coman OA, Paunescu H, Ghita I, Coman L, Badararu A, Fulga I: Beta 3 adrenergic receptors: molecular, histological, functional and pharmacological approaches. Rom J Morphol Embryol. 2009;50(2):169-79.@@Mersmann HJ: Overview of the effects of beta-adrenergic receptor agonists on animal growth including mechanisms of action. J Anim Sci. 1998 Jan;76(1):160-72.@@El-Armouche A, Eschenhagen T: Beta-adrenergic stimulation and myocardial function in the failing heart. Heart Fail Rev. 2009 Dec;14(4):225-41. doi: 10.1007/s10741-008-9132-8.@@Gilsbach R, Hein L: Presynaptic metabotropic receptors for acetylcholine and adrenaline/noradrenaline. Handb Exp Pharmacol. 2008;(184):261-88." Approved; Investigational Tyrosine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Amino Acids, Peptides, and Proteins; Epinephrine and similars; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Amino Acids, Neutral; Increased Blood Pressure; Amino Acids; Adrenergic Agonists; Agents that produce hypertension; Adrenergic alpha-1 Receptor Agonists; Central Nervous System Agents; Cardiac Therapy; Catechols; Adrenergic beta-3 Receptor Agonists; Adrenergic beta-2 Receptor Agonists; Adrenergic beta-1 Receptor Agonists; Anti-Dyskinesia Agents" N[C@@H]([C@H](O)C1=CC(O)=C(O)C=C1)C(O)=O 99443239 D01277 PA164748386 Droxidopa CHEMBL2103827 1489913 DB06263 Amrubicin BE0000742 TOP2A P11388 TOP2A_HUMAN 17628745 "Kurata T, Okamoto I, Tamura K, Fukuoka M: Amrubicin for non-small-cell lung cancer and small-cell lung cancer. Invest New Drugs. 2007 Oct;25(5):499-504. Epub 2007 Jul 13." Investigational Tetracenequinones Organic compounds; Benzenoids; Naphthacenes; Tetracenequinones Cytotoxic Antibiotics and Related Substances; Antineoplastic and Immunomodulating Agents; Glycosides; Carbohydrates; Naphthacenes; Anthracyclines and Related Substances; Antineoplastic Agents [H][C@@]1(C[C@@](N)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O)O[C@H]1C[C@H](O)[C@H](O)CO1 347827767 Amrubicin CHEMBL1186894 DB06266 Lonidamine BE0001195 CFTR P13569 CFTR_HUMAN 17490919 "Sommer D, Bogdan R, Berger J, Peters DM, Morty RE, Clauss WG, Fronius M: CFTR-dependent Cl- secretion in Xenopus laevis lung epithelium. Respir Physiol Neurobiol. 2007 Aug 15;158(1):97-106. Epub 2007 Apr 5." Investigational Indazoles Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles "Reproductive Control Agents; Contraceptive Agents, Male; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Adrenal Cortex Hormones; Pyrazoles; Antispermatogenic Agents; Trypanocidal Agents; Antiprotozoals; Hormonal Contraceptives for Systemic Use; Radiation-Sensitizing Agents; Toxic Actions; Noxae; Antiparasitic Agents; Antineoplastic Agents" OC(=O)C1=NN(CC2=C(Cl)C=C(Cl)C=C2)C2=C1C=CC=C2 D07257 Lonidamine CHEMBL1257030 DB06266 Lonidamine BE0001108 HK1 P19367 HXK1_HUMAN 16986057 Brawer MK: Lonidamine: basic science and rationale for treatment of prostatic proliferative disorders. Rev Urol. 2005;7 Suppl 7:S21-6. Investigational Indazoles Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles "Reproductive Control Agents; Contraceptive Agents, Male; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Adrenal Cortex Hormones; Pyrazoles; Antispermatogenic Agents; Trypanocidal Agents; Antiprotozoals; Hormonal Contraceptives for Systemic Use; Radiation-Sensitizing Agents; Toxic Actions; Noxae; Antiparasitic Agents; Antineoplastic Agents" OC(=O)C1=NN(CC2=C(Cl)C=C(Cl)C=C2)C2=C1C=CC=C2 D07257 Lonidamine CHEMBL1257030 DB06267 Udenafil BE0000182 PDE5A O76074 PDE5A_HUMAN inhibitor 18491987; 11752352; 19465935; 21054754; 19860692 "Gur S, Sikka SC, Hellstrom WJ: Novel phosphodiesterase-5 (PDE5) inhibitors in the alleviation of erectile dysfunction due to diabetes and ageing-induced oxidative stress. Expert Opin Investig Drugs. 2008 Jun;17(6):855-64. doi: 10.1517/13543784.17.6.855 .@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ahn GJ, Chung HK, Lee CH, Kang KK, Ahn BO: Increased expression of the nitric oxide synthase gene and protein in corpus cavernosum by repeated dosing of udenafil in a rat model of chemical diabetogenesis. Asian J Androl. 2009 Jul;11(4):435-42. doi: 10.1038/aja.2009.27. Epub 2009 May 25.@@Zhao C, Kim SH, Lee SW, Jeon JH, Kang KK, Choi SB, Park JK: Activity of phosphodiesterase type 5 inhibitors in patients with lower urinary tract symptoms due to benign prostatic hyperplasia. BJU Int. 2011 Jun;107(12):1943-7. doi: 10.1111/j.1464-410X.2010.09759.x. Epub 2010 Nov 5.@@Kouvelas D, Goulas A, Papazisis G, Sardeli C, Pourzitaki C: PDE5 inhibitors: in vitro and in vivo pharmacological profile. Curr Pharm Des. 2009;15(30):3464-75." Approved; Investigational Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides Cytochrome P-450 CYP3A5 Substrates; Sulfones; Cytochrome P-450 Substrates; Enzyme Inhibitors; Vasodilating Agents; Cytochrome P-450 CYP3A Substrates; Urologicals; Phosphodiesterase 5 Inhibitors; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Amides; Genito Urinary System and Sex Hormones; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; Sulfonamides; Drugs Used in Erectile Dysfunction; Phosphodiesterase Inhibitors CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCC1CCCN1C)C1=NC(=O)C2=C(N1)C(CCC)=NN2C 99443240 D10027 PA164776753 DAP000960 Udenafil CHEMBL2103849 DB06268 Sitaxentan BE0000043 EDNRB P24530 EDNRB_HUMAN antagonist 17472992; 11752352; 7921608; 16335785; 9806221; 7858879; 15629255 "Girgis RE, Frost AE, Hill NS, Horn EM, Langleben D, McLaughlin VV, Oudiz RJ, Robbins IM, Seibold JR, Shapiro S, Tapson VF, Barst RJ: Selective endothelin A receptor antagonism with sitaxsentan for pulmonary arterial hypertension associated with connective tissue disease. Ann Rheum Dis. 2007 Nov;66(11):1467-72. Epub 2007 May 1.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Gardiner SM, Kemp PA, March JE, Bennett T: Effects of bosentan (Ro 47-0203), an ETA-, ETB-receptor antagonist, on regional haemodynamic responses to endothelins in conscious rats. Br J Pharmacol. 1994 Jul;112(3):823-30.@@Gupta SK, Saxena A, Singh U, Arya DS: Bosentan, the mixed ETA-ETB endothelin receptor antagonist, attenuated oxidative stress after experimental myocardial ischemia and reperfusion. Mol Cell Biochem. 2005 Jul;275(1-2):67-74.@@Marano G, Palazzesi S, Bernucci P, Grigioni M, Formigari R, Ballerini L: ET(A)/ET(B) receptor antagonist bosentan inhibits neointimal development in collared carotid arteries of rabbits. Life Sci. 1998;63(18):PL259-66.@@Richard V, Kaeffer N, Hogie M, Tron C, Blanc T, Thuillez C: Role of endogenous endothelin in myocardial and coronary endothelial injury after ischaemia and reperfusion in rats: studies with bosentan, a mixed ETA-ETB antagonist. Br J Pharmacol. 1994 Nov;113(3):869-76.@@Said SA, Ammar el SM, Suddek GM: Effect of bosentan (ETA/ETB receptor antagonist) on metabolic changes during stress and diabetes. Pharmacol Res. 2005 Feb;51(2):107-15." Approved; Investigational; Withdrawn Benzodioxoles Organic compounds; Organoheterocyclic compounds; Benzodioxoles Antihypertensives for Pulmonary Arterial Hypertension; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antihypertensive Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Endothelin Receptor Antagonists; Sulfur Compounds; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)CC2=CC3=C(OCO3)C=C2C)=C1Cl 20136 99443241 D07171 PA165958361 Sitaxentan CHEMBL282724 DB06271 Sulodexide BE0000775 SERPIND1 P05546 HEP2_HUMAN agonist 12818259 "Cosmi B, Cini M, Legnani C, Pancani C, Calanni F, Coccheri S: Additive thrombin inhibition by fast moving heparin and dermatan sulfate explains the anticoagulant effect of sulodexide, a natural mixture of glycosaminoglycans. Thromb Res. 2003 Mar 15;109(5-6):333-9." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Cardiovascular Agents; Heparin Group; Agents causing hyperkalemia; Blood and Blood Forming Organs; Carbohydrates; Heparin and similars; Anticoagulants; Hematologic Agents; Fibrinolytic Agents; Polysaccharides; Fibrin Modulating Agents 347910343 D08547 PA164746343 DAP000866 Sulodexide CHEMBL2108086 DB06273 Tocilizumab BE0002859 IL6R P08887 IL6RA_HUMAN inhibitor 16899109; 21940820 "Smolen JS, Maini RN: Interleukin-6: a new therapeutic target. Arthritis Res Ther. 2006;8 Suppl 2:S5. Epub 2006 Jul 28.@@Betts BC, St Angelo ET, Kennedy M, Young JW: Anti-IL6-receptor-alpha (tocilizumab) does not inhibit human monocyte-derived dendritic cell maturation or alloreactive T-cell responses. Blood. 2011 Nov 10;118(19):5340-3. doi: 10.1182/blood-2011-06-363390. Epub 2011 Sep 22." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Interleukin-6 Receptor Antagonist; Interleukin Inhibitors; Antibodies; Cytochrome P-450 Enzyme Inducers; Biologics for Rheumatoid Arthritis Treatment; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Proteins; Cytochrome P-450 CYP3A4 Inducers; Disease-modifying Antirheumatic Agents; Immunoglobulins; Agents reducing cytokine levels; Cytochrome P-450 CYP3A4 Inducers (weak); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A Inducers; Antirheumatic Agents; Blood Proteins" 20590 347910344 D02596 PA165292659 Tocilizumab CHEMBL1237022 612865 DB06274 Alvimopan BE0000770 OPRM1 P35372 OPRM_HUMAN antagonist 17909271; 19086236; 16597533; 11752352; 15882122; 11755894 "Kraft MD: Emerging pharmacologic options for treating postoperative ileus. Am J Health Syst Pharm. 2007 Oct 15;64(20 Suppl 13):S13-20.@@Buchler MW, Seiler CM, Monson JR, Flamant Y, Thompson-Fawcett MW, Byrne MM, Mortensen ER, Altman JF, Williamson R: Clinical trial: alvimopan for the management of post-operative ileus after abdominal surgery: results of an international randomized, double-blind, multicentre, placebo-controlled clinical study. Aliment Pharmacol Ther. 2008 Aug 1;28(3):312-25.@@Saufl NM, Strzyzewski N: Nurses are everywhere: a practical perspective on the surgical team in managing postoperative ileus. J Perianesth Nurs. 2006 Apr;21(2A Suppl):S24-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Neary P, Delaney CP: Alvimopan. Expert Opin Investig Drugs. 2005 Apr;14(4):479-88.@@Schmidt WK: Alvimopan* (ADL 8-2698) is a novel peripheral opioid antagonist. Am J Surg. 2001 Nov;182(5A Suppl):27S-38S." Approved; Investigational Hybrid peptides Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides "Receptors, Opioid, mu, antagonists & inhibitors; Opioid Antagonists; Peripheral Opioid Receptor Antagonists; Gastrointestinal Agents; Alimentary Tract and Metabolism; Drugs for Constipation" C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(=O)NCC(O)=O)CC[C@@]1(C)C1=CC(O)=CC=C1 Alvimopan Action Pathway drug_action 99443242 D02878 PA164754864 DAP001140 Alvimopan CHEMBL270190 480639 DB06274 Alvimopan BE0000420 OPRD1 P41143 OPRD_HUMAN antagonist 15882122; 17340127 "Neary P, Delaney CP: Alvimopan. Expert Opin Investig Drugs. 2005 Apr;14(4):479-88.@@Beattie DT, Cheruvu M, Mai N, O'Keefe M, Johnson-Rabidoux S, Peterson C, Kaufman E, Vickery R: The in vitro pharmacology of the peripherally restricted opioid receptor antagonists, alvimopan, ADL 08-0011 and methylnaltrexone. Naunyn Schmiedebergs Arch Pharmacol. 2007 May;375(3):205-20. Epub 2007 Mar 6." Approved; Investigational Hybrid peptides Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides "Receptors, Opioid, mu, antagonists & inhibitors; Opioid Antagonists; Peripheral Opioid Receptor Antagonists; Gastrointestinal Agents; Alimentary Tract and Metabolism; Drugs for Constipation" C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(=O)NCC(O)=O)CC[C@@]1(C)C1=CC(O)=CC=C1 Alvimopan Action Pathway drug_action 99443242 D02878 PA164754864 DAP001140 Alvimopan CHEMBL270190 480639 DB06282 Levocetirizine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 21639816; 18336052 "Ferrer M: Pharmacokinetic evaluation of levocetirizine. Expert Opin Drug Metab Toxicol. 2011 Aug;7(8):1035-47. doi: 10.1517/17425255.2011.590131. Epub 2011 Jun 4.@@Devillier P, Roche N, Faisy C: Clinical pharmacokinetics and pharmacodynamics of desloratadine, fexofenadine and levocetirizine : a comparative review. Clin Pharmacokinet. 2008;47(4):217-30." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Potential QTc-Prolonging Agents; Piperazine Derivatives; Piperazines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; QTc Prolonging Agents; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Histamine H1 Antagonists, Non-Sedating; Antihistamines for Systemic Use; Histamine Agents; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates" OC(=O)COCCN1CCN(CC1)[C@H](C1=CC=CC=C1)C1=CC=C(Cl)C=C1 Levocetirizine H1-Antihistamine Action drug_action 310264866 D07402 Levocetirizine CHEMBL1201191 356887 DB06283 Ziconotide BE0002226 CACNA1B Q00975 CAC1B_HUMAN inhibitor 2441741; 8102803; 27756538; 21150297; 28320042; 26344359; 24382884 "Olivera BM, Cruz LJ, de Santos V, LeCheminant GW, Griffin D, Zeikus R, McIntosh JM, Galyean R, Varga J, Gray WR, et al.: Neuronal calcium channel antagonists. Discrimination between calcium channel subtypes using omega-conotoxin from Conus magus venom. Biochemistry. 1987 Apr 21;26(8):2086-90. doi: 10.1021/bi00382a004.@@Valentino K, Newcomb R, Gadbois T, Singh T, Bowersox S, Bitner S, Justice A, Yamashiro D, Hoffman BB, Ciaranello R, et al.: A selective N-type calcium channel antagonist protects against neuronal loss after global cerebral ischemia. Proc Natl Acad Sci U S A. 1993 Aug 15;90(16):7894-7. doi: 10.1073/pnas.90.16.7894.@@Bourinet E, Zamponi GW: Block of voltage-gated calcium channels by peptide toxins. Neuropharmacology. 2017 Dec;127:109-115. doi: 10.1016/j.neuropharm.2016.10.016. Epub 2016 Oct 15.@@Park J, Luo ZD: Calcium channel functions in pain processing. Channels (Austin). 2010 Nov-Dec;4(6):510-7. doi: 10.4161/chan.4.6.12869. Epub 2010 Nov 1.@@Patel R, Montagut-Bordas C, Dickenson AH: Calcium channel modulation as a target in chronic pain control. Br J Pharmacol. 2018 Jun;175(12):2173-2184. doi: 10.1111/bph.13789. Epub 2017 Apr 26.@@Wang F, Yan Z, Liu Z, Wang S, Wu Q, Yu S, Ding J, Dai Q: Molecular basis of toxicity of N-type calcium channel inhibitor MVIIA. Neuropharmacology. 2016 Feb;101:137-45. doi: 10.1016/j.neuropharm.2015.08.047. Epub 2015 Sep 4.@@Bourinet E, Altier C, Hildebrand ME, Trang T, Salter MW, Zamponi GW: Calcium-permeable ion channels in pain signaling. Physiol Rev. 2014 Jan;94(1):81-140. doi: 10.1152/physrev.00023.2013." Approved "Sensory System Agents; Protective Agents; N-Calcium Channel Receptor Antagonists; Marine Toxins; Central Nervous System Depressants; Fluids and Secretions; Calcium Channel Blockers; Toxins, Biological; Membrane Transport Modulators; Complex Mixtures; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Analgesics, Non-Narcotic; Mollusk Venoms; Peripheral Nervous System Agents; Analgesics; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; Nervous System; Venoms; Narrow Therapeutic Index Drugs; Conotoxins; Neuroprotective Agents; Calcium Channels, N-Type" [H][C@]12CSSC[C@]3([H])NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N2 347910345 D06363 Ziconotide CHEMBL4594214 68503 DB06283 Ziconotide BE0000356 CACNA1A O00555 CAC1A_HUMAN inhibitor 26344359 "Wang F, Yan Z, Liu Z, Wang S, Wu Q, Yu S, Ding J, Dai Q: Molecular basis of toxicity of N-type calcium channel inhibitor MVIIA. Neuropharmacology. 2016 Feb;101:137-45. doi: 10.1016/j.neuropharm.2015.08.047. Epub 2015 Sep 4." Approved "Sensory System Agents; Protective Agents; N-Calcium Channel Receptor Antagonists; Marine Toxins; Central Nervous System Depressants; Fluids and Secretions; Calcium Channel Blockers; Toxins, Biological; Membrane Transport Modulators; Complex Mixtures; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Analgesics, Non-Narcotic; Mollusk Venoms; Peripheral Nervous System Agents; Analgesics; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; Nervous System; Venoms; Narrow Therapeutic Index Drugs; Conotoxins; Neuroprotective Agents; Calcium Channels, N-Type" [H][C@]12CSSC[C@]3([H])NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N2 347910345 D06363 Ziconotide CHEMBL4594214 68503 DB06287 Temsirolimus BE0002386 MTOR P42345 MTOR_HUMAN inhibitor 18265991; 17935273; 11752352 "Patard JJ, Pouessel D, Bensalah K, Culine S: Targeted therapy in renal cell carcinoma. World J Urol. 2008 Apr;26(2):135-40. doi: 10.1007/s00345-008-0237-4. Epub 2008 Feb 12.@@Radulovic S, Bjelogrlic SK: Sunitinib, sorafenib and mTOR inhibitors in renal cancer. J BUON. 2007 Sep;12 Suppl 1:S151-62.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Macrolide lactams Organic compounds; Phenylpropanoids and polyketides; Macrolide lactams Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Enzyme Inhibitors; Agents causing angioedema; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP3A5 Inhibitors; Mammalian target of rapamycin (mTOR) kinase inhibitors; Protein Kinase Inhibitors; Sirolimus and Prodrugs; Cytochrome P-450 Substrates; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Macrolides; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Lactones; Polyketides; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; mTOR Inhibitors; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates OCC(C)(CO)C(=O)O[C@@H]1CC[C@@H](C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](OC)C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)C[C@H]1OC 20180 99443243 D06068 PA164746890 DAP001222 Temsirolimus CHEMBL1201182 657797 DB06288 Amisulpride BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 19337725 "Abbas AI, Hedlund PB, Huang XP, Tran TB, Meltzer HY, Roth BL: Amisulpride is a potent 5-HT7 antagonist: relevance for antidepressant actions in vivo. Psychopharmacology (Berl). 2009 Jul;205(1):119-28. doi: 10.1007/s00213-009-1521-8. Epub 2009 Apr 1." Approved; Investigational Aminobenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "MATE 1 Substrates; MATE 2 Substrates; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Amides; Serotonin Receptor Antagonists; Benzene Derivatives; MATE 1 Inhibitors; Antidepressive Agents; OCT1 substrates; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; BCRP/ABCG2 Substrates; Potential QTc-Prolonging Agents; Antipsychotic Agents (Second Generation [Atypical]); Acids, Carbocyclic; MATE inhibitors; Opioid Agonist; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; MATE 2 Inhibitors; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Antiemetics; Nervous System; MATE substrates; Antidepressive Agents, Second-Generation; Dopamine Agents" CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC 99443244 D07310 PA162565877 DAP000848 Amisulpride CHEMBL243712 46303 DB06288 Amisulpride BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 12404702; 16696579; 11873706; 11270918 "Rosenzweig P, Canal M, Patat A, Bergougnan L, Zieleniuk I, Bianchetti G: A review of the pharmacokinetics, tolerability and pharmacodynamics of amisulpride in healthy volunteers. Hum Psychopharmacol. 2002 Jan;17(1):1-13.@@Horacek J, Bubenikova-Valesova V, Kopecek M, Palenicek T, Dockery C, Mohr P, Hoschl C: Mechanism of action of atypical antipsychotic drugs and the neurobiology of schizophrenia. CNS Drugs. 2006;20(5):389-409.@@Seeman P: Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.@@Xiberas X, Martinot JL, Mallet L, Artiges E, Canal M, Loc'h C, Maziere B, Paillere-Martinot ML: In vivo extrastriatal and striatal D2 dopamine receptor blockade by amisulpride in schizophrenia. J Clin Psychopharmacol. 2001 Apr;21(2):207-14. doi: 10.1097/00004714-200104000-00013." Approved; Investigational Aminobenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "MATE 1 Substrates; MATE 2 Substrates; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Amides; Serotonin Receptor Antagonists; Benzene Derivatives; MATE 1 Inhibitors; Antidepressive Agents; OCT1 substrates; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; BCRP/ABCG2 Substrates; Potential QTc-Prolonging Agents; Antipsychotic Agents (Second Generation [Atypical]); Acids, Carbocyclic; MATE inhibitors; Opioid Agonist; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; MATE 2 Inhibitors; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Antiemetics; Nervous System; MATE substrates; Antidepressive Agents, Second-Generation; Dopamine Agents" CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC 99443244 D07310 PA162565877 DAP000848 Amisulpride CHEMBL243712 46303 DB06288 Amisulpride BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 14575800; 21176108 "Weizman T, Pick CG, Backer MM, Rigai T, Bloch M, Schreiber S: The antinociceptive effect of amisulpride in mice is mediated through opioid mechanisms. Eur J Pharmacol. 2003 Oct 8;478(2-3):155-9.@@Rehni AK, Singh TG, Chand P: Amisulpride-induced seizurogenic effect: a potential role of opioid receptor-linked transduction systems. Basic Clin Pharmacol Toxicol. 2011 May;108(5):310-7. doi: 10.1111/j.1742-7843.2010.00655.x. Epub 2010 Dec 22." Approved; Investigational Aminobenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "MATE 1 Substrates; MATE 2 Substrates; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Amides; Serotonin Receptor Antagonists; Benzene Derivatives; MATE 1 Inhibitors; Antidepressive Agents; OCT1 substrates; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; BCRP/ABCG2 Substrates; Potential QTc-Prolonging Agents; Antipsychotic Agents (Second Generation [Atypical]); Acids, Carbocyclic; MATE inhibitors; Opioid Agonist; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; MATE 2 Inhibitors; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Antiemetics; Nervous System; MATE substrates; Antidepressive Agents, Second-Generation; Dopamine Agents" CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC 99443244 D07310 PA162565877 DAP000848 Amisulpride CHEMBL243712 46303 DB06288 Amisulpride BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 14575800; 21176108 "Weizman T, Pick CG, Backer MM, Rigai T, Bloch M, Schreiber S: The antinociceptive effect of amisulpride in mice is mediated through opioid mechanisms. Eur J Pharmacol. 2003 Oct 8;478(2-3):155-9.@@Rehni AK, Singh TG, Chand P: Amisulpride-induced seizurogenic effect: a potential role of opioid receptor-linked transduction systems. Basic Clin Pharmacol Toxicol. 2011 May;108(5):310-7. doi: 10.1111/j.1742-7843.2010.00655.x. Epub 2010 Dec 22." Approved; Investigational Aminobenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "MATE 1 Substrates; MATE 2 Substrates; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Amides; Serotonin Receptor Antagonists; Benzene Derivatives; MATE 1 Inhibitors; Antidepressive Agents; OCT1 substrates; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; BCRP/ABCG2 Substrates; Potential QTc-Prolonging Agents; Antipsychotic Agents (Second Generation [Atypical]); Acids, Carbocyclic; MATE inhibitors; Opioid Agonist; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; MATE 2 Inhibitors; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Antiemetics; Nervous System; MATE substrates; Antidepressive Agents, Second-Generation; Dopamine Agents" CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC 99443244 D07310 PA162565877 DAP000848 Amisulpride CHEMBL243712 46303 DB06307 Apoptone BE0000246 BCL2 P10415 BCL2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids Fused-Ring Compounds; Androstanes; Steroids C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C Ethynylandrostanediol DB06311 Darapladib BE0000657 PLA2G4A P47712 PA24A_HUMAN 19790016 "Riley RF, Corson MA: Darapladib, a reversible lipoprotein-associated phospholipase A2 inhibitor, for the oral treatment of atherosclerosis and coronary artery disease. IDrugs. 2009 Oct;12(10):648-55." Investigational Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives Anions; Hydrogen Sulfide; Ions; Amines; Enzyme Inhibitors; Phospholipase A2 Inhibitors; Pyrimidines; Hydroxylamines; Sulfur Compounds; Ethylamines; Benzene Derivatives; Electrolytes CCN(CC)CCN(CC1=CC=C(C=C1)C1=CC=C(C=C1)C(F)(F)F)C(=O)CN1C2=C(CCC2)C(=O)N=C1SCC1=CC=C(F)C=C1 PA165884699 Darapladib CHEMBL204021 DB06314 SGX-523 BE0000915 MET P08581 MET_HUMAN Investigational Diarylthioethers Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers CN1C=C(C=N1)C1=NN2C(SC3=CC=C4N=CC=CC4=C3)=NN=C2C=C1 CHEMBL1236107 DB06317 Elotuzumab BE0003492 SLAMF7 Q9NQ25 SLAF7_HUMAN modulator 26809244 Markham A: Elotuzumab: First Global Approval. Drugs. 2016 Mar;76(3):397-403. doi: 10.1007/s40265-016-0540-0. Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Proteins; Antineoplastic Agents; Immunoglobulins; SLAMF7-directed Immunostimulatory Antibody; SLAMF7-directed Antibody Interactions; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Narrow Therapeutic Index Drugs; Blood Proteins" 22728 347910347 D09337 Elotuzumab CHEMBL1743010 1726104 DB06321 R-348 BE0003493 JAK3 P52333 JAK3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational CCC(=O)NS(=O)(=O)C1=CC(NC2=NC=C(F)C(NC3=CC=C(OCC#C)C=C3)=N2)=CC=C1C DB06322 Carotuximab BE0003494 ENG P17813 EGLN_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" TRC105 DB06324 XmAb 2513 BE0003479 TNFRSF8 P28908 TNR8_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" DB06325 Pegpleranib BE0003495 PDGFB P01127 PDGFB_HUMAN Investigational Pegylated agents DB06333 Trodusquemine BE0000623 PTPN1 P18031 PTN1_HUMAN Investigational Fused-Ring Compounds; Amines; Biogenic Amines; Polyamines; Steroids; Biogenic Polyamines [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCNCCCCNCCCN)[C@H](C)CC[C@@H](OS(O)(=O)=O)C(C)C Trodusquemine CHEMBL508583 DB06343 Teprotumumab BE0000858 IGF1R P08069 IGF1R_HUMAN binder Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Immunosuppressive Agents; Ototoxic agents; Antineoplastic and Immunomodulating Agents; Insulin-like Growth Factor-1 Receptor Inhibitors; Immunoproteins; Selective Immunosuppressants; Hyperglycemia-Associated Agents; Insulin-like Growth Factor-1 Receptor Inhibitor; Proteins; Globulins; Amino Acids, Peptides, and Proteins" Teprotumumab 2274803 DB06347 Cenisertib BE0000991 AURKA O14965 AURKA_HUMAN Investigational Bridged-Ring Compounds [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2NC1=C(F)C=NC(NC2=CC=C(N3CCN(C)CC3)C(C)=C2)=N1)C(N)=O CHEMBL1614709 DB06350 Elinogrel BE0000110 P2RY12 Q9H244 P2Y12_HUMAN Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfur Compounds; Amides; Quinazolines" CNC1=C(F)C=C2C(NC(=O)N(C2=O)C2=CC=C(NC(=O)NS(=O)(=O)C3=CC=C(Cl)S3)C=C2)=C1 Elinogrel CHEMBL2103828 DB06354 Tezampanel BE0000346 GRIK1 P39086 GRIK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational "Receptors, AMPA, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring" [H][C@]1(CCC2=NN=NN2)CC[C@@]2([H])CN[C@@]([H])(C[C@@]2([H])C1)C(O)=O Tezampanel CHEMBL14935 DB06356 TRC093 BE0003498 COL4A4 P53420 CO4A4_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" DB06358 Iclaprim BE0000330 DHFR P00374 DYR_HUMAN Investigational Enzyme Inhibitors; Antibacterials for Systemic Use; Folic Acid Antagonists; Antiinfectives for Systemic Use; Trimethoprim and Derivatives; Sulfonamides and trimethoprim COC1=CC(CC2=CN=C(N)N=C2N)=C2C=CC(OC2=C1OC)C1CC1 Iclaprim CHEMBL134561 DB06359 G4460 BE0003499 MYB P10242 MYB_HUMAN Investigational "Polynucleotides; Oligonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" DB06362 Becatecarin BE0000742 TOP2A P11388 TOP2A_HUMAN Investigational Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "Heterocyclic Compounds, Fused-Ring; Glycosides; Carbohydrates; Indoles" CCN(CC)CCN1C(=O)C2=C(C1=O)C1=C(N([C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]3O)C3=C(Cl)C=CC=C13)C1=C2C2=C(N1)C(Cl)=CC=C2 CHEMBL2107313 DB06362 Becatecarin BE0002425 TOP2B Q02880 TOP2B_HUMAN Investigational Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "Heterocyclic Compounds, Fused-Ring; Glycosides; Carbohydrates; Indoles" CCN(CC)CCN1C(=O)C2=C(C1=O)C1=C(N([C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]3O)C3=C(Cl)C=CC=C13)C1=C2C2=C(N1)C(Cl)=CC=C2 CHEMBL2107313 DB06366 Pertuzumab BE0000511 ERBB2 P04626 ERBB2_HUMAN binder 15093539 "Franklin MC, Carey KD, Vajdos FF, Leahy DJ, de Vos AM, Sliwkowski MX: Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex. Cancer Cell. 2004 Apr;5(4):317-28." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "HER2/Neu/cerbB2 Antagonists; Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Breast Neoplasms; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Cardiotoxic antineoplastic agents; Proteins; Antineoplastic Agents; HER2 Receptor Antagonists; Immunoglobulins; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; HER2 (Human Epidermal Growth Factor Receptor 2) inhibitors; Receptor, ErbB-2, antagonists & inhibitors; Blood Proteins" 22051 347910348 D05446 Pertuzumab CHEMBL2007641 1298944 DB06371 Siplizumab BE0000719 CD2 P06729 CD2_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" Siplizumab DB06374 Elacestrant BE0000123 ESR1 P03372 ESR1_HUMAN antagonist 26164151; 31602686 "Garner F, Shomali M, Paquin D, Lyttle CR, Hattersley G: RAD1901: a novel, orally bioavailable selective estrogen receptor degrader that demonstrates antitumor activity in breast cancer xenograft models. Anticancer Drugs. 2015 Oct;26(9):948-56. doi: 10.1097/CAD.0000000000000271.@@Chinnasamy K, Saravanan M, Poomani K: Investigation of binding mechanism and downregulation of elacestrant for wild and L536S mutant estrogen receptor-alpha through molecular dynamics simulation and binding free energy analysis. J Comput Chem. 2020 Jan 15;41(2):97-109. doi: 10.1002/jcc.26076. Epub 2019 Oct 10." Approved; Investigational "P-glycoprotein inhibitors; Selective Estrogen Receptor Degraders; Antineoplastic and Immunomodulating Agents; BCRP/ABCG2 Inhibitors; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Endocrine Therapy; Naphthalenes; Cytochrome P-450 CYP3A Substrates; OATP2B1/SLCO2B1 substrates; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Substrates; Estrogen Receptor Antagonists; Antineoplastic Agents" CCNCCC1=CC=C(CN(CC)C2=C(C=CC(OC)=C2)[C@@H]2CCC3=CC(O)=CC=C3C2)C=C1 Elacestrant CHEMBL4297509 2628469 DB06376 CHGN111 BE0001824 CLK1 P49759 CLK1_HUMAN Investigational DB06401 Bazedoxifene BE0000123 ESR1 P03372 ESR1_HUMAN antagonist 15535430 "Gruber C, Gruber D: Bazedoxifene (Wyeth). Curr Opin Investig Drugs. 2004 Oct;5(10):1086-93." Approved; Investigational 2-phenylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles "Selective Estrogen Receptor Modulators; Heterocyclic Compounds, Fused-Ring; UGT1A4 substrates; UGT1A1 Substrates; Bone Density Conservation Agents; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Hormone Antagonists; Hormones, Hormone Substitutes, and Hormone Antagonists; Estrogen Agonist/Antagonist; Estrogen Receptor Modulators" CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1 22524 310264867 D03062 Bazedoxifene CHEMBL46740 1441386 DB06401 Bazedoxifene BE0000792 ESR2 Q92731 ESR2_HUMAN 15961563 "Komm BS, Kharode YP, Bodine PV, Harris HA, Miller CP, Lyttle CR: Bazedoxifene acetate: a selective estrogen receptor modulator with improved selectivity. Endocrinology. 2005 Sep;146(9):3999-4008. Epub 2005 Jun 16." Approved; Investigational 2-phenylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles "Selective Estrogen Receptor Modulators; Heterocyclic Compounds, Fused-Ring; UGT1A4 substrates; UGT1A1 Substrates; Bone Density Conservation Agents; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Hormone Antagonists; Hormones, Hormone Substitutes, and Hormone Antagonists; Estrogen Agonist/Antagonist; Estrogen Receptor Modulators" CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1 22524 310264867 D03062 Bazedoxifene CHEMBL46740 1441386 DB06403 Ambrisentan BE0000043 EDNRB P24530 EDNRB_HUMAN antagonist 19920913; 19601701 "Casserly B, Klinger JR: Ambrisentan for the treatment of pulmonary arterial hypertension. Drug Des Devel Ther. 2009 Feb 6;2:265-80.@@Kingman M, Ruggiero R, Torres F: Ambrisentan, an endothelin receptor type A-selective endothelin receptor antagonist, for the treatment of pulmonary arterial hypertension. Expert Opin Pharmacother. 2009 Aug;10(11):1847-58. doi: 10.1517/14656560903061275." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Antihypertensives for Pulmonary Arterial Hypertension; UGT2B7 substrates; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; UGT1A3 substrates; Acids, Carbocyclic; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Hypertension, Pulmonary; UGT1A9 Substrates; OATP1B3 substrates; Endothelin Receptor Antagonists" COC([C@H](OC1=NC(C)=CC(C)=N1)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1 13310 310264868 PA165860521 Ambrisentan CHEMBL1111 358274 DB06404 Human C1-esterase inhibitor BE0001529 C1S P09871 C1S_HUMAN inhibitor 123251 "Harpel PC, Cooper NR: Studies on human plasma C1 inactivator-enzyme interactions. I. Mechanisms of interaction with C1s, plasmin, and trypsin. J Clin Invest. 1975 Mar;55(3):593-604." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Protease Inhibitors; Kallikrein Inhibitors; Enzyme Inhibitors; Carbohydrates; Immunoproteins; Complement C1 Inactivator Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins; Drugs Used in Hereditary Angioedema; Immunologic Factors; Complement Inactivating Agents; Proteins; Glycoconjugates; Complement System Proteins; C1 inhibitors; Blood and Blood Forming Organs; Serpins; Peptides; Complement Inactivator Proteins; Serine Protease Inhibitors; Blood Proteins; Decreased Vascular Permeability" 20597 347910350 P05155 C1-inhibitor 809864 DB06404 Human C1-esterase inhibitor BE0002440 KLKB1 P03952 KLKB1_HUMAN inhibitor 6184384 "van der Graaf F, Koedam JA, Bouma BN: Inactivation of kallikrein in human plasma. J Clin Invest. 1983 Jan;71(1):149-58." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Protease Inhibitors; Kallikrein Inhibitors; Enzyme Inhibitors; Carbohydrates; Immunoproteins; Complement C1 Inactivator Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins; Drugs Used in Hereditary Angioedema; Immunologic Factors; Complement Inactivating Agents; Proteins; Glycoconjugates; Complement System Proteins; C1 inhibitors; Blood and Blood Forming Organs; Serpins; Peptides; Complement Inactivator Proteins; Serine Protease Inhibitors; Blood Proteins; Decreased Vascular Permeability" 20597 347910350 P05155 C1-inhibitor 809864 DB06404 Human C1-esterase inhibitor BE0001021 F11 P03951 FA11_HUMAN inhibitor 16267649 "Cicardi M, Zingale L, Zanichelli A, Pappalardo E, Cicardi B: C1 inhibitor: molecular and clinical aspects. Springer Semin Immunopathol. 2005 Nov;27(3):286-98. Epub 2005 Nov 11." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Protease Inhibitors; Kallikrein Inhibitors; Enzyme Inhibitors; Carbohydrates; Immunoproteins; Complement C1 Inactivator Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins; Drugs Used in Hereditary Angioedema; Immunologic Factors; Complement Inactivating Agents; Proteins; Glycoconjugates; Complement System Proteins; C1 inhibitors; Blood and Blood Forming Organs; Serpins; Peptides; Complement Inactivator Proteins; Serine Protease Inhibitors; Blood Proteins; Decreased Vascular Permeability" 20597 347910350 P05155 C1-inhibitor 809864 DB06404 Human C1-esterase inhibitor BE0001088 PLAT P00750 TPA_HUMAN inhibitor 16267649 "Cicardi M, Zingale L, Zanichelli A, Pappalardo E, Cicardi B: C1 inhibitor: molecular and clinical aspects. Springer Semin Immunopathol. 2005 Nov;27(3):286-98. Epub 2005 Nov 11." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Protease Inhibitors; Kallikrein Inhibitors; Enzyme Inhibitors; Carbohydrates; Immunoproteins; Complement C1 Inactivator Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins; Drugs Used in Hereditary Angioedema; Immunologic Factors; Complement Inactivating Agents; Proteins; Glycoconjugates; Complement System Proteins; C1 inhibitors; Blood and Blood Forming Organs; Serpins; Peptides; Complement Inactivator Proteins; Serine Protease Inhibitors; Blood Proteins; Decreased Vascular Permeability" 20597 347910350 P05155 C1-inhibitor 809864 DB06406 Idraparinux BE0000216 F10 P00742 FA10_HUMAN Investigational Protease Inhibitors; Serine Protease Inhibitors; Enzyme Inhibitors; Polysaccharides; Carbohydrates; Anticoagulants; Factor Xa Inhibitors; Hematologic Agents; Antithrombins [H][C@]1(O[C@H]2[C@H](OC)[C@@H](OC)[C@]([H])(O[C@@H]3[C@@H](COS(O)(=O)=O)O[C@]([H])(O[C@H]4[C@H](OC)[C@@H](OC)[C@]([H])(O[C@@H]5[C@@H](COS(O)(=O)=O)O[C@H](OC)[C@H](OS(O)(=O)=O)[C@H]5OS(O)(=O)=O)O[C@H]4C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3OS(O)(=O)=O)O[C@@H]2C(O)=O)O[C@H](COS(O)(=O)=O)[C@@H](OC)[C@H](OC)[C@H]1OC Idraparinux DB06408 Taribavirin BE0000261 NT5C2 P49902 5NTC_HUMAN Investigational Triazole ribonucleosides and ribonucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Triazole ribonucleosides and ribonucleotides" "Anti-Infective Agents; Antiviral Agents; Ribonucleosides; Nucleosides; Purine-Nucleoside Phosphorylase, antagonists & inhibitors; Nucleic Acids, Nucleotides, and Nucleosides" NC(=N)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Taribavirin CHEMBL2111108 DB06409 Morphine glucuronide BE0000770 OPRM1 P35372 OPRM_HUMAN Investigational "Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Alkaloids; Opiate Alkaloids" [H][C@]12C=C[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@H]3OC4=C5C(C[C@H]1N(C)CC[C@@]235)=CC=C4O Morphine-6-glucuronide CHEMBL1330 DB06409 Morphine glucuronide BE0000420 OPRD1 P41143 OPRD_HUMAN Investigational "Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Alkaloids; Opiate Alkaloids" [H][C@]12C=C[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@H]3OC4=C5C(C[C@H]1N(C)CC[C@@]235)=CC=C4O Morphine-6-glucuronide CHEMBL1330 DB06410 Doxercalciferol BE0000779 VDR P11473 VDR_HUMAN suppressor 21169421 "Ritter CS, Brown AJ: Direct suppression of Pth gene expression by the vitamin D prohormones doxercalciferol and calcidiol requires the vitamin D receptor. J Mol Endocrinol. 2011 Feb 15;46(2):63-6. doi: 10.1677/JME-10-0128. Print 2011 Apr." Approved Vitamin D and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives "Vitamins; Cholestenes; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Vitamins (Fat Soluble); Steroids; Fused-Ring Compounds; Anti-Parathyroid Agents; Diet, Food, and Nutrition; Vitamin D and Analogues; Lipids; Food; Calcium Homeostasis; Secosteroids; Micronutrients; Cholestanes; Sterols; Physiological Phenomena; Bone Density Conservation Agents; Membrane Lipids" [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)\C=C\[C@H](C)C(C)C 12146 347827769 D01009 Doxercalciferol CHEMBL1200810 11516 DB06412 Oxymetholone BE0000132 AR P10275 ANDR_HUMAN agonist 16633980 "Davison SL, Bell R: Androgen physiology. Semin Reprod Med. 2006 Apr;24(2):71-7." Approved; Illicit Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Androgens; Cytochrome P-450 CYP3A5 Inhibitors; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; Fused-Ring Compounds; Anabolic Agents for Systemic Use; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanols; Androstanes; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Androstan Derivatives; Anabolic Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)\C(C[C@]12C)=C/O 7459 310264869 D00490 Oxymetholone CHEMBL1200585 7813 DB06412 Oxymetholone BE0000979 NPPB P16860 ANFB_HUMAN Approved; Illicit Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Androgens; Cytochrome P-450 CYP3A5 Inhibitors; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; Fused-Ring Compounds; Anabolic Agents for Systemic Use; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanols; Androstanes; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Androstan Derivatives; Anabolic Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)\C(C[C@]12C)=C/O 7459 310264869 D00490 Oxymetholone CHEMBL1200585 7813 DB06420 Annamycin BE0000742 TOP2A P11388 TOP2A_HUMAN Investigational "P-glycoprotein inhibitors; Glycosides; Anthracyclines; Carbohydrates; Naphthacenes; Antibiotics, Antineoplastic; Antineoplastic Agents" C[C@@H]1O[C@@H](O[C@H]2C[C@@](O)(CC3=C2C(O)=C2C(=O)C4=CC=CC=C4C(=O)C2=C3O)C(=O)CO)[C@H](I)[C@H](O)[C@H]1O Annamycin DB06421 Declopramide BE0000742 TOP2A P11388 TOP2A_HUMAN Investigational Aminobenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Benzoates; Acids, Carbocyclic; Benzamides and benzamide derivatives; Amides; Benzene Derivatives; para-Aminobenzoates; Aminobenzoates" CCN(CC)CCNC(=O)C1=CC=C(N)C(Cl)=C1 CHEMBL1618378 DB06421 Declopramide BE0002425 TOP2B Q02880 TOP2B_HUMAN Investigational Aminobenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Benzoates; Acids, Carbocyclic; Benzamides and benzamide derivatives; Amides; Benzene Derivatives; para-Aminobenzoates; Aminobenzoates" CCN(CC)CCNC(=O)C1=CC=C(N)C(Cl)=C1 CHEMBL1618378 DB06422 Ticalopride BE0000084 HTR4 Q13639 5HT4R_HUMAN Investigational Aminobenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Chlorobenzoates; Piperidines; Benzoates; Acids, Carbocyclic; Benzamides and benzamide derivatives; Amides; Benzene Derivatives; para-Aminobenzoates; Aminobenzoates" CO[C@H]1CNCC[C@H]1NC(=O)C1=CC(Cl)=C(N)C=C1OC CHEMBL2107465 DB06423 Endostatin BE0000642 MMP2 P08253 MMP2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Intercellular Signaling Peptides and Proteins; Growth Substances; Angiogenesis Inhibitors; Amino Acids, Peptides, and Proteins; Angiogenesis Modulating Agents; Scleroproteins; Proteins; Non-Fibrillar Collagens; Antineoplastic Agents; Collagen; Growth Inhibitors; Biological Factors; Peptides; Compounds used in a research, industrial, or household setting; Collagen Type XVIII; Extracellular Matrix Proteins; Angiostatic Proteins; Angiogenic Proteins" Endostatin DB06423 Endostatin BE0003090 PTK2 Q05397 FAK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Intercellular Signaling Peptides and Proteins; Growth Substances; Angiogenesis Inhibitors; Amino Acids, Peptides, and Proteins; Angiogenesis Modulating Agents; Scleroproteins; Proteins; Non-Fibrillar Collagens; Antineoplastic Agents; Collagen; Growth Inhibitors; Biological Factors; Peptides; Compounds used in a research, industrial, or household setting; Collagen Type XVIII; Extracellular Matrix Proteins; Angiostatic Proteins; Angiogenic Proteins" Endostatin DB06429 Talnetant BE0002371 TACR3 P29371 NK3R_HUMAN antagonist 17172464; 17728699; 9190866 "Tian G, Wilkins D, Scott CW: Neurokinin-3 receptor-specific antagonists talnetant and osanetant show distinct mode of action in cellular Ca2+ mobilization but display similar binding kinetics and identical mechanism of binding in ligand cross-competition. Mol Pharmacol. 2007 Mar;71(3):902-11. Epub 2006 Dec 15.@@Dawson LA, Cato KJ, Scott C, Watson JM, Wood MD, Foxton R, de la Flor R, Jones GA, Kew JN, Cluderay JE, Southam E, Murkitt GS, Gartlon J, Pemberton DJ, Jones DN, Davies CH, Hagan J: In vitro and in vivo characterization of the non-peptide NK3 receptor antagonist SB-223412 (talnetant): potential therapeutic utility in the treatment of schizophrenia. Neuropsychopharmacology. 2008 Jun;33(7):1642-52. Epub 2007 Aug 29.@@Sarau HM, Griswold DE, Potts W, Foley JJ, Schmidt DB, Webb EF, Martin LD, Brawner ME, Elshourbagy NA, Medhurst AD, Giardina GA, Hay DW: Nonpeptide tachykinin receptor antagonists: I. Pharmacological and pharmacokinetic characterization of SB 223412, a novel, potent and selective neurokinin-3 receptor antagonist. J Pharmacol Exp Ther. 1997 Jun;281(3):1303-11." Investigational Phenylquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines "Receptors, Neurokinin-3, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring" CCC(NC(=O)C1=C(O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1 Talnetant CHEMBL275544 DB06433 Tezacitabine BE0000325 RRM1 P23921 RIR1_HUMAN 10547615 "Skierski JS, Koronkiewicz M, Grieb P: Effect of FMdC on the cell cycle of some leukemia cell lines. Cytometry. 1999 Dec 1;37(4):302-7." Investigational Pyrimidones Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Enzyme Inhibitors; Deoxyribonucleosides; Nucleosides; Ribonucleoside Diphosphate Reductase, antagonists & inhibitors; Pyrimidines; Radiation-Sensitizing Agents; Nucleic Acids, Nucleotides, and Nucleosides; Antineoplastic Agents; Pyrimidine Nucleosides" NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)\C1=C/F Tezacitabine CHEMBL2105467 DB06439 Tyloxapol BE0000239 LPL P06858 LIPL_HUMAN inhibitor 16839786; 1493594; 9406449 "Levine S, Saltzman A: A procedure for inducing sustained hyperlipemia in rats by administration of a surfactant. J Pharmacol Toxicol Methods. 2007 Mar-Apr;55(2):224-6. Epub 2006 Jun 3.@@Rodrigues B, Braun JE, Spooner M, Severson DL: Regulation of lipoprotein lipase activity in cardiac myocytes from control and diabetic rat hearts by plasma lipids. Can J Physiol Pharmacol. 1992 Sep;70(9):1271-9.@@Sato K, Akiba Y, Horiguchi M: Species differences between chickens and rats in chemical properties of adipose tissue lipoprotein lipase. Comp Biochem Physiol A Physiol. 1997 Nov;118(3):855-8." Approved; Investigational "Detergents; Glycols; Polymers; Alcohols; Surface-Active Agents; Cough and Cold Preparations; Macromolecular Substances; Ethylene Glycols; Expectorants; Household Products; Compounds used in a research, industrial, or household setting" 175427071 D03261 PA164743726 DCL000254 Tyloxapol CHEMBL1201548 38998 DB06441 Cangrelor BE0000110 P2RY12 Q9H244 P2Y12_HUMAN inhibitor 26402735 "Gan XD, Wei BZ, Fang D, Fang Q, Li KY, Ding SL, Peng S, Wan J: Efficacy and safety analysis of new P2Y12 inhibitors versus clopidogrel in patients with percutaneous coronary intervention: a meta-analysis. Curr Med Res Opin. 2015 Dec;31(12):2313-23. doi: 10.1185/03007995.2015.1098600. Epub 2015 Nov 4." Approved Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" "Purinergic P2Y Receptor Antagonists; Purines; Anticoagulants; Adenine Nucleotides; Ribonucleotides; Platelet Aggregation Inhibitors Excl. Heparin; Purinergic Agents; Nucleotides; P2Y12 Platelet Inhibitor; Antiplatelet agents; Heterocyclic Compounds, Fused-Ring; Blood and Blood Forming Organs; Nucleic Acids, Nucleotides, and Nucleosides; Purinergic P2 Receptor Antagonists; Decreased Platelet Aggregation; Purine Nucleotides; Neurotransmitter Agents; Hematologic Agents; Purinergic Antagonists" CSCCNC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC(SCCC(F)(F)F)=N1 23813 310264872 D03359 PA165945763 Cangrelor CHEMBL334966 1656052 DB06446 Dotarizine BE0000356 CACNA1A O00555 CAC1A_HUMAN 14637173 "Ruiz-Nuno A, Mayorgas I, Hernandez-Guijo JM, Olivares R, Garcia AG, Gandia L: Antimigraine dotarizine blocks P/Q Ca2+ channels and exocytosis in a voltage-dependent manner in chromaffin cells. Eur J Pharmacol. 2003 Nov 14;481(1):41-50." Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Antiarrhythmic agents; Cardiovascular Agents; Serotonin Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Vasodilating Agents; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Serotonin Receptor Antagonists; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; Membrane Transport Modulators; Antidepressive Agents C(CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1)CC1(OCCO1)C1=CC=CC=C1 Dotarizine CHEMBL2106316 DB06446 Dotarizine BE0000533 HTR2C P28335 5HT2C_HUMAN 9379783 "Farre M, Roset PN, Llorente M, Marquez M, Albet C, Perez JA, Herrero E, Ortiz JA: Clinical pharmacokinetics and tolerability of dotarizine in healthy subjects after single and multiple oral administration. Methods Find Exp Clin Pharmacol. 1997 Jun;19(5):343-50." Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Antiarrhythmic agents; Cardiovascular Agents; Serotonin Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Vasodilating Agents; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Serotonin Receptor Antagonists; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; Membrane Transport Modulators; Antidepressive Agents C(CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1)CC1(OCCO1)C1=CC=CC=C1 Dotarizine CHEMBL2106316 DB06448 Lonafarnib BE0002373 FNTA P49354 FNTA_HUMAN inhibitor 15494604; 17268526 "Lee HY, Moon H, Chun KH, Chang YS, Hassan K, Ji L, Lotan R, Khuri FR, Hong WK: Effects of insulin-like growth factor binding protein-3 and farnesyltransferase inhibitor SCH66336 on Akt expression and apoptosis in non-small-cell lung cancer cells. J Natl Cancer Inst. 2004 Oct 20;96(20):1536-48.@@Medeiros BC, Landau HJ, Morrow M, Lockerbie RO, Pitts T, Eckhardt SG: The farnesyl transferase inhibitor, tipifarnib, is a potent inhibitor of the MDR1 gene product, P-glycoprotein, and demonstrates significant cytotoxic synergism against human leukemia cell lines. Leukemia. 2007 Apr;21(4):739-46. Epub 2007 Feb 1." Approved; Investigational Benzocycloheptapyridines Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strong); Cytochrome P-450 CYP3A5 Inhibitors; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Farnesyltransferase Inhibitors; BCRP/ABCG2 Inhibitors; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Benzocycloheptenes; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Farnesyltransferase Inhibitor; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2A6 Substrates; Various Alimentary Tract and Metabolism Products; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP1A2 Substrates NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2C3=C(CCC4=C2C(Br)=CC(Cl)=C4)C=C(Br)C=N3)CC1 PA166129466 Lonafarnib CHEMBL298734 2467553 DB06448 Lonafarnib BE0002372 FNTB P49356 FNTB_HUMAN inhibitor Approved; Investigational Benzocycloheptapyridines Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strong); Cytochrome P-450 CYP3A5 Inhibitors; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Farnesyltransferase Inhibitors; BCRP/ABCG2 Inhibitors; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Benzocycloheptenes; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Farnesyltransferase Inhibitor; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2A6 Substrates; Various Alimentary Tract and Metabolism Products; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP1A2 Substrates NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2C3=C(CCC4=C2C(Br)=CC(Cl)=C4)C=C(Br)C=N3)CC1 PA166129466 Lonafarnib CHEMBL298734 2467553 DB06451 Aprinocarsen BE0001132 PRKCA P17252 KPCA_HUMAN 16424642; 15868384 "Lahn M, Sundell K, Kohler G: The role of protein kinase C-alpha in hematologic malignancies. Acta Haematol. 2006;115(1-2):1-8.@@Vansteenkiste J, Canon JL, Riska H, Pirker R, Peterson P, John W, Mali P, Lahn M: Randomized phase II evaluation of aprinocarsen in combination with gemcitabine and cisplatin for patients with advanced/metastatic non-small cell lung cancer. Invest New Drugs. 2005 Jun;23(3):263-9." Investigational "Protein Kinase C, antagonists & inhibitors; Polynucleotides; Oligonucleotides; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides" 2634355 DB06454 Sarizotan BE0000581 DRD3 P35462 DRD3_HUMAN ligand 14767715 "Bartoszyk GD, Van Amsterdam C, Greiner HE, Rautenberg W, Russ H, Seyfried CA: Sarizotan, a serotonin 5-HT1A receptor agonist and dopamine receptor ligand. 1. Neurochemical profile. J Neural Transm (Vienna). 2004 Feb;111(2):113-26. Epub 2003 Dec 31." Investigational Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines FC1=CC=C(C=C1)C1=CN=CC(CNC[C@H]2CCC3=CC=CC=C3O2)=C1 Sarizotan CHEMBL220808 DB06460 Enrasentan BE0000043 EDNRB P24530 EDNRB_HUMAN 16219361 "Motte S, McEntee K, Naeije R: Endothelin receptor antagonists. Pharmacol Ther. 2006 Jun;110(3):386-414. Epub 2005 Oct 10." Investigational Benzodioxoles Organic compounds; Organoheterocyclic compounds; Benzodioxoles Indenes; Endothelin Receptor Antagonists CCCOC1=CC=C2[C@@H]([C@H]([C@@H](C2=C1)C1=CC=C(OC)C=C1OCCO)C(O)=O)C1=CC=C2OCOC2=C1 CHEMBL431651 DB06468 Cariporide BE0000752 SLC9A1 P19634 SL9A1_HUMAN Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Antiarrhythmic agents; Potential QTc-Prolonging Agents; Cardiovascular Agents; QTc Prolonging Agents; Amidines; Sulfur Compounds CC(C)C1=CC=C(C=C1S(C)(=O)=O)C(=O)NC(N)=N Cariporide CHEMBL436559 DB06470 Clomethiazole BE0000795 GABRA1 P14867 GBRA1_HUMAN Investigational "4,5-disubstituted thiazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles "Cytochrome P-450 CYP3A Substrates; Protective Agents; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Thiazoles; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2A6 Substrates; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Anticonvulsants; Neuroprotective Agents" CC1=C(CCCl)SC=N1 347827773 Chlormethiazole CHEMBL315795 2372 DB06474 Sibrotuzumab BE0003507 FAP Q12884 SEPR_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" Sibrotuzumab DB06477 Sumanirole BE0000581 DRD3 P35462 DRD3_HUMAN Investigational Aminoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Heterocyclic Compounds, Fused-Ring" CN[C@H]1CN2C(=O)NC3=CC=CC(C1)=C23 Sumanirole CHEMBL419792 DB06479 Propentofylline BE0001133 PDE4A P27815 PDE4A_HUMAN Investigational Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Anti-Ulcer Agents; Heterocyclic Compounds, Fused-Ring; Purines; Central Nervous System Agents; Cytochrome P-450 Substrates; Purinones; Xanthine derivatives; Alkaloids; Protective Agents; Psychoanaleptics; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Psychostimulants, Agents Used for ADHD and Nootropics; Neuroprotective Agents; Compounds used in a research, industrial, or household setting" CCCN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C Propentofylline CHEMBL1079905 34644 DB06480 Prucalopride BE0000084 HTR4 Q13639 5HT4R_HUMAN agonist 11438309; 9679042 "Briejer MR, Bosmans JP, Van Daele P, Jurzak M, Heylen L, Leysen JE, Prins NH, Schuurkes JA: The in vitro pharmacological profile of prucalopride, a novel enterokinetic compound. Eur J Pharmacol. 2001 Jun 29;423(1):71-83.@@Grider JR, Foxx-Orenstein AE, Jin JG: 5-Hydroxytryptamine4 receptor agonists initiate the peristaltic reflex in human, rat, and guinea pig intestine. Gastroenterology. 1998 Aug;115(2):370-80. doi: 10.1016/s0016-5085(98)70203-3." Approved Aminobenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Gastrointestinal Agents; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Miscellaneous GI Drugs; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Alimentary Tract and Metabolism; Serotonin-4 Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Serotonin 4 Receptor Agonists; Serotonin Agents; Serotonin 5-HT4 Receptor Agonists; Laxatives; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Drugs for Constipation" COCCCN1CCC(CC1)NC(=O)C1=C2OCCC2=C(N)C(Cl)=C1 21066 310264873 Prucalopride CHEMBL117287 2107310 DB06486 Enzastaurin BE0000872 PRKCB P05771 KPCB_HUMAN Investigational N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles "Heterocyclic Compounds, Fused-Ring" CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12 Enzastaurin CHEMBL300138 DB06486 Enzastaurin BE0003404 AURKB Q96GD4 AURKB_HUMAN Investigational N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles "Heterocyclic Compounds, Fused-Ring" CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12 Enzastaurin CHEMBL300138 DB06486 Enzastaurin BE0000991 AURKA O14965 AURKA_HUMAN Investigational N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles "Heterocyclic Compounds, Fused-Ring" CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12 Enzastaurin CHEMBL300138 DB06486 Enzastaurin BE0000437 CDK15 Q96Q40 CDK15_HUMAN Investigational N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles "Heterocyclic Compounds, Fused-Ring" CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12 Enzastaurin CHEMBL300138 DB06486 Enzastaurin BE0003382 CHEK1 O14757 CHK1_HUMAN Investigational N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles "Heterocyclic Compounds, Fused-Ring" CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12 Enzastaurin CHEMBL300138 DB06486 Enzastaurin BE0003381 CHEK2 O96017 CHK2_HUMAN Investigational N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles "Heterocyclic Compounds, Fused-Ring" CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12 Enzastaurin CHEMBL300138 DB06486 Enzastaurin BE0000428 AKT1 P31749 AKT1_HUMAN Investigational N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles "Heterocyclic Compounds, Fused-Ring" CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12 Enzastaurin CHEMBL300138 DB06486 Enzastaurin BE0000955 PIK3R1 P27986 P85A_HUMAN Investigational N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles "Heterocyclic Compounds, Fused-Ring" CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12 Enzastaurin CHEMBL300138 DB06492 Mirococept BE0003455 C3 P01024 CO3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" DB06494 Sufugolix BE0000203 GNRHR P30968 GNRHR_HUMAN Investigational N-phenylureas Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas CONC(=O)NC1=CC=C(C=C1)C1=C(CN(C)CC2=CC=CC=C2)C2=C(S1)N(CC1=C(F)C=CC=C1F)C(=O)N(C2=O)C1=CC=CC=C1 Sufugolix CHEMBL22055 DB06510 Muraglitazar BE0000071 PPARA Q07869 PPARA_HUMAN Investigational "Phenyl-1,3-oxazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles "Amino Acids; Cytochrome P-450 Substrates; UGT1A3 substrates; UGT1A1 Substrates; PPAR gamma, agonists; Cytochrome P-450 CYP1A2 Substrates; Amino Acids, Peptides, and Proteins; PPAR alpha, agonists; Cytochrome P-450 CYP2C8 Substrates" COC1=CC=C(OC(=O)N(CC(O)=O)CC2=CC=C(OCCC3=C(C)OC(=N3)C3=CC=CC=C3)C=C2)C=C1 Muraglitazar CHEMBL186179 DB06510 Muraglitazar BE0000215 PPARG P37231 PPARG_HUMAN Investigational "Phenyl-1,3-oxazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles "Amino Acids; Cytochrome P-450 Substrates; UGT1A3 substrates; UGT1A1 Substrates; PPAR gamma, agonists; Cytochrome P-450 CYP1A2 Substrates; Amino Acids, Peptides, and Proteins; PPAR alpha, agonists; Cytochrome P-450 CYP2C8 Substrates" COC1=CC=C(OC(=O)N(CC(O)=O)CC2=CC=C(OCCC3=C(C)OC(=N3)C3=CC=CC=C3)C=C2)C=C1 Muraglitazar CHEMBL186179 DB06511 AMGN-0007 BE0003517 TNFSF11 O14788 TNF11_HUMAN 12548591 "Body JJ, Greipp P, Coleman RE, Facon T, Geurs F, Fermand JP, Harousseau JL, Lipton A, Mariette X, Williams CD, Nakanishi A, Holloway D, Martin SW, Dunstan CR, Bekker PJ: A phase I study of AMGN-0007, a recombinant osteoprotegerin construct, in patients with multiple myeloma or breast carcinoma related bone metastases. Cancer. 2003 Feb 1;97(3 Suppl):887-92." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Membrane Proteins; Proteins; Tumor Necrosis Factor Decoy Receptors; Amino Acids, Peptides, and Proteins" O00300 DB06512 Deramciclane BE0000533 HTR2C P28335 5HT2C_HUMAN inverse agonist 9551765 "Palvimaki EP, Majasuo H, Kuoppamaki M, Mannisto PT, Syvalahti E, Hietala J: Deramciclane, a putative anxiolytic drug, is a serotonin 5-HT2C receptor inverse agonist but fails to induce 5-HT2C receptor down-regulation. Psychopharmacology (Berl). 1998 Mar;136(2):99-104." Investigational Bicyclic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Bridged-Ring Compounds; Monoterpenes; Terpenes; Bicyclic Monoterpenes; Norbornanes; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Anticonvulsants [H][C@]12CC[C@](C)(C1(C)C)[C@@](C2)(OCCN(C)C)C1=CC=CC=C1 347827775 Deramciclane CHEMBL2104698 DB06518 R-1487 BE0001019 MAPK14 Q16539 MK14_HUMAN 21375264 "Goldstein DM, Soth M, Gabriel T, Dewdney N, Kuglstatter A, Arzeno H, Chen J, Bingenheimer W, Dalrymple SA, Dunn J, Farrell R, Frauchiger S, La Fargue J, Ghate M, Graves B, Hill RJ, Li F, Litman R, Loe B, McIntosh J, McWeeney D, Papp E, Park J, Reese HF, Roberts RT, Rotstein D, San Pablo B, Sarma K, Stahl M, Sung ML, Suttman RT, Sjogren EB, Tan Y, Trejo A, Welch M, Weller P, Wong BR, Zecic H: Discovery of 6-(2,4-difluorophenoxy)-2-[3-hydroxy-1-(2-hydroxyethyl)propylamino]-8-methyl-8H-p yrido[2,3-d]pyrimidin-7-one (pamapimod) and 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]py rimidin-7(8H)-one (R1487) as orally bioavailable and highly selective inhibitors of p38alpha mitogen-activated protein kinase. J Med Chem. 2011 Apr 14;54(7):2255-65. doi: 10.1021/jm101423y. Epub 2011 Mar 4." Investigational "Mitogen-Activated Protein Kinase 14, antagonists & inhibitors; Pyridines" CN1C(=O)C(OC2=CC=C(F)C=C2F)=CC2=C1N=C(NC1CCOCC1)N=C2 CHEMBL1230122 DB06521 Ertiprotafib BE0000623 PTPN1 P18031 PTN1_HUMAN 17407812 "Shrestha S, Bhattarai BR, Cho H, Choi JK, Cho H: PTP1B inhibitor Ertiprotafib is also a potent inhibitor of IkappaB kinase beta (IKK-beta). Bioorg Med Chem Lett. 2007 May 15;17(10):2728-30. Epub 2007 Mar 3." Investigational Naphthothiophenes Organic compounds; Benzenoids; Naphthalenes; Naphthothiophenes "Sulfur Compounds; Acids, Carbocyclic" CC1=C(C)C2=C(C3=CC(C)=C(O[C@H](CC4=CC=CC=C4)C(O)=O)C(C)=C3)C3=CC=CC=C3C(Br)=C2S1 CHEMBL184041 DB06521 Ertiprotafib BE0001154 IKBKB O14920 IKKB_HUMAN 17407812 "Shrestha S, Bhattarai BR, Cho H, Choi JK, Cho H: PTP1B inhibitor Ertiprotafib is also a potent inhibitor of IkappaB kinase beta (IKK-beta). Bioorg Med Chem Lett. 2007 May 15;17(10):2728-30. Epub 2007 Mar 3." Investigational Naphthothiophenes Organic compounds; Benzenoids; Naphthalenes; Naphthothiophenes "Sulfur Compounds; Acids, Carbocyclic" CC1=C(C)C2=C(C3=CC(C)=C(O[C@H](CC4=CC=CC=C4)C(O)=O)C(C)=C3)C3=CC=CC=C3C(Br)=C2S1 CHEMBL184041 DB06521 Ertiprotafib BE0000071 PPARA Q07869 PPARA_HUMAN 15475571 "Erbe DV, Wang S, Zhang YL, Harding K, Kung L, Tam M, Stolz L, Xing Y, Furey S, Qadri A, Klaman LD, Tobin JF: Ertiprotafib improves glycemic control and lowers lipids via multiple mechanisms. Mol Pharmacol. 2005 Jan;67(1):69-77. Epub 2004 Oct 8." Investigational Naphthothiophenes Organic compounds; Benzenoids; Naphthalenes; Naphthothiophenes "Sulfur Compounds; Acids, Carbocyclic" CC1=C(C)C2=C(C3=CC(C)=C(O[C@H](CC4=CC=CC=C4)C(O)=O)C(C)=C3)C3=CC=CC=C3C(Br)=C2S1 CHEMBL184041 DB06521 Ertiprotafib BE0000215 PPARG P37231 PPARG_HUMAN 15475571 "Erbe DV, Wang S, Zhang YL, Harding K, Kung L, Tam M, Stolz L, Xing Y, Furey S, Qadri A, Klaman LD, Tobin JF: Ertiprotafib improves glycemic control and lowers lipids via multiple mechanisms. Mol Pharmacol. 2005 Jan;67(1):69-77. Epub 2004 Oct 8." Investigational Naphthothiophenes Organic compounds; Benzenoids; Naphthalenes; Naphthothiophenes "Sulfur Compounds; Acids, Carbocyclic" CC1=C(C)C2=C(C3=CC(C)=C(O[C@H](CC4=CC=CC=C4)C(O)=O)C(C)=C3)C3=CC=CC=C3C(Br)=C2S1 CHEMBL184041 DB06533 Ragaglitazar BE0000071 PPARA Q07869 PPARA_HUMAN 12970088; 16240504 "Chakrabarti R, Vikramadithyan RK, Misra P, Hiriyan J, Raichur S, Damarla RK, Gershome C, Suresh J, Rajagopalan R: Ragaglitazar: a novel PPAR alpha PPAR gamma agonist with potent lipid-lowering and insulin-sensitizing efficacy in animal models. Br J Pharmacol. 2003 Oct;140(3):527-37. Epub 2003 Sep 1.@@Egerod FL, Nielsen HS, Iversen L, Thorup I, Storgaard T, Oleksiewicz MB: Biomarkers for early effects of carcinogenic dual-acting PPAR agonists in rat urinary bladder urothelium in vivo. Biomarkers. 2005 Jul-Aug;10(4):295-309." Investigational N-substituted phenoxazines Organic compounds; Organoheterocyclic compounds; Benzoxazines; Phenoxazines "Acids, Carbocyclic" CCO[C@H](CC1=CC=C(OCCN2C3=CC=CC=C3OC3=C2C=CC=C3)C=C1)C(O)=O CHEMBL24683 DB06533 Ragaglitazar BE0000215 PPARG P37231 PPARG_HUMAN 12970088; 16240504 "Chakrabarti R, Vikramadithyan RK, Misra P, Hiriyan J, Raichur S, Damarla RK, Gershome C, Suresh J, Rajagopalan R: Ragaglitazar: a novel PPAR alpha PPAR gamma agonist with potent lipid-lowering and insulin-sensitizing efficacy in animal models. Br J Pharmacol. 2003 Oct;140(3):527-37. Epub 2003 Sep 1.@@Egerod FL, Nielsen HS, Iversen L, Thorup I, Storgaard T, Oleksiewicz MB: Biomarkers for early effects of carcinogenic dual-acting PPAR agonists in rat urinary bladder urothelium in vivo. Biomarkers. 2005 Jul-Aug;10(4):295-309." Investigational N-substituted phenoxazines Organic compounds; Organoheterocyclic compounds; Benzoxazines; Phenoxazines "Acids, Carbocyclic" CCO[C@H](CC1=CC=C(OCCN2C3=CC=CC=C3OC3=C2C=CC=C3)C=C1)C(O)=O CHEMBL24683 DB06534 Thrombopoietin BE0003440 MPL P40238 TPOR_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Colony-Stimulating Factors; Biological Factors; Intercellular Signaling Peptides and Proteins; Carbohydrates; Peptides; Proteins; Cytokines; Glycoconjugates; Amino Acids, Peptides, and Proteins; Hematopoietic Cell Growth Factors; Glycoproteins" Thrombopoietin DB06536 Tesaglitazar BE0000071 PPARA Q07869 PPARA_HUMAN 16168052 "Tenenbaum A, Motro M, Fisman EZ: Dual and pan-peroxisome proliferator-activated receptors (PPAR) co-agonism: the bezafibrate lessons. Cardiovasc Diabetol. 2005 Sep 16;4:14." Investigational Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids "Hydrocarbons, Acyclic; Alkanesulfonic Acids; Acids, Carbocyclic; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes" CCO[C@@H](CC1=CC=C(OCCC2=CC=C(OS(C)(=O)=O)C=C2)C=C1)C(O)=O Tesaglitazar CHEMBL282686 DB06536 Tesaglitazar BE0000215 PPARG P37231 PPARG_HUMAN 16168052 "Tenenbaum A, Motro M, Fisman EZ: Dual and pan-peroxisome proliferator-activated receptors (PPAR) co-agonism: the bezafibrate lessons. Cardiovasc Diabetol. 2005 Sep 16;4:14." Investigational Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids "Hydrocarbons, Acyclic; Alkanesulfonic Acids; Acids, Carbocyclic; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes" CCO[C@@H](CC1=CC=C(OCCC2=CC=C(OS(C)(=O)=O)C=C2)C=C1)C(O)=O Tesaglitazar CHEMBL282686 DB06548 Minodronic acid BE0000776 FDPS P14324 FPPS_HUMAN inhibitor 11160603 "Dunford JE, Thompson K, Coxon FP, Luckman SP, Hahn FM, Poulter CD, Ebetino FH, Rogers MJ: Structure-activity relationships for inhibition of farnesyl diphosphate synthase in vitro and inhibition of bone resorption in vivo by nitrogen-containing bisphosphonates. J Pharmacol Exp Ther. 2001 Feb;296(2):235-42." Investigational Imidazopyridines Organic compounds; Organoheterocyclic compounds; Imidazopyridines Organophosphorus Compounds; Organophosphonates OC(CC1=CN=C2C=CC=CN12)(P(O)(O)=O)P(O)(O)=O Minodronic_acid CHEMBL319144 DB06549 Labradimil BE0003513 BDKRB2 P30411 BKRB2_HUMAN agonist 11160651; 11160652; 11286321; 31874445 "Emerich DF, Snodgrass P, Dean RL, Lafreniere D, Agostino M, Wiens T, Xiong H, Hasler B, Marsh J, Pink M, Kim BS, Bartus RT: Bradykinin modulation of tumor vasculature: I. Activation of B2 receptors increases delivery of chemotherapeutic agents into solid peripheral tumors, enhancing their efficacy. J Pharmacol Exp Ther. 2001 Feb;296(2):623-31.@@Emerich DF, Dean RL, Snodgrass P, Lafreniere D, Agostino M, Wiens T, Xiong H, Hasler B, Marsh J, Pink M, Kim BS, Perdomo B, Bartus RT: Bradykinin modulation of tumor vasculature: II. activation of nitric oxide and phospholipase A2/prostaglandin signaling pathways synergistically modifies vascular physiology and morphology to enhance delivery of chemotherapeutic agents to tumors. J Pharmacol Exp Ther. 2001 Feb;296(2):632-41.@@Emerich DF, Dean RL, Osborn C, Bartus RT: The development of the bradykinin agonist labradimil as a means to increase the permeability of the blood-brain barrier: from concept to clinical evaluation. Clin Pharmacokinet. 2001;40(2):105-23. doi: 10.2165/00003088-200140020-00003.@@Gholamreza-Fahimi E, Bisha M, Hahn J, Strassen U, Krybus M, Khosravani F, Hoffmann TK, Hohlfeld T, Greve J, Bas M, Twarock S, Kojda G: Cyclooxygenase activity in bradykinin-induced dermal extravasation. A study in mice and humans. Biomed Pharmacother. 2020 Mar;123:109797. doi: 10.1016/j.biopha.2019.109797. Epub 2019 Dec 23." Investigational Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Kinins; Inflammation Mediators; Biological Factors; Intercellular Signaling Peptides and Proteins; Oligopeptides; Nerve Tissue Proteins; Autacoids; Neuropeptides; Peptides; Proteins; Amino Acids, Peptides, and Proteins" COC1=CC=C(C[C@@H](CN[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=CS2)NC(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCN=C(N)N)C=C1 CHEMBL2105864 DB06550 Bivatuzumab BE0001113 CD44 P16070 CD44_HUMAN 14530488 "Postema EJ, Borjesson PK, Buijs WC, Roos JC, Marres HA, Boerman OC, de Bree R, Lang M, Munzert G, van Dongen GA, Oyen WJ: Dosimetric analysis of radioimmunotherapy with 186Re-labeled bivatuzumab in patients with head and neck cancer. J Nucl Med. 2003 Oct;44(10):1690-9." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" Bivatuzumab DB06552 Anpocogin BE0000333 F7 P08709 FA7_HUMAN 14597974 "Vlasuk GP, Bradbury A, Lopez-Kinninger L, Colon S, Bergum PW, Maki S, Rote WE: Pharmacokinetics and anticoagulant properties of the factor VIIa-tissue factor inhibitor recombinant Nematode Anticoagulant Protein c2 following subcutaneous administration in man. Dependence on the stoichiometric binding to circulating factor X. Thromb Haemost. 2003 Nov;90(5):803-12." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" DB06552 Anpocogin BE0000216 F10 P00742 FA10_HUMAN 14597974 "Vlasuk GP, Bradbury A, Lopez-Kinninger L, Colon S, Bergum PW, Maki S, Rote WE: Pharmacokinetics and anticoagulant properties of the factor VIIa-tissue factor inhibitor recombinant Nematode Anticoagulant Protein c2 following subcutaneous administration in man. Dependence on the stoichiometric binding to circulating factor X. Thromb Haemost. 2003 Nov;90(5):803-12." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" DB06558 Tezosentan BE0000043 EDNRB P24530 EDNRB_HUMAN 15542526 "Urbanowicz W, Sogni P, Moreau R, Tazi KA, Barriere E, Poirel O, Martin A, Guimont MC, Cazals-Hatem D, Lebrec D: Tezosentan, an endothelin receptor antagonist, limits liver injury in endotoxin challenged cirrhotic rats. Gut. 2004 Dec;53(12):1844-9." Investigational Pyridinylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Cardiovascular Agents; Vasodilating Agents; Receptors, Endothelin" COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=NC=C(C=C2)C(C)C)N=C(N=C1OCCO)C1=CC(=NC=C1)C1=NNN=N1 Tezosentan CHEMBL61780 DB06579 Adipiplon BE0008668 GABRA1 Q99928 GBRG3_HUMAN partial agonist Investigational Triazolopyrimidines Organic compounds; Organoheterocyclic compounds; Triazolopyrimidines GABA Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; GABA Agonists; Tranquilizing Agents; Neurotransmitter Agents CCCC1=C(CN2C=CN=C2C2=C(F)C=CC=N2)N=CN2N=C(C)N=C12 347827777 Adipiplon CHEMBL2103791 DB06589 Pazopanib BE0000029 FLT1 P17948 VGFR1_HUMAN inhibitor 17288876 "Sonpavde G, Hutson TE: Pazopanib: a novel multitargeted tyrosine kinase inhibitor. Curr Oncol Rep. 2007 Mar;9(2):115-9." Approved Alkyldiarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Angiogenesis Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1 20595 175427074 D05380 Pazopanib CHEMBL477772 714438 DB06589 Pazopanib BE0000453 KIT P10721 KIT_HUMAN inhibitor 17288876 "Sonpavde G, Hutson TE: Pazopanib: a novel multitargeted tyrosine kinase inhibitor. Curr Oncol Rep. 2007 Mar;9(2):115-9." Approved Alkyldiarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Angiogenesis Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1 20595 175427074 D05380 Pazopanib CHEMBL477772 714438 DB06589 Pazopanib BE0001341 ITK Q08881 ITK_HUMAN inhibitor 23072642 Deeks ED: Pazopanib: in advanced soft tissue sarcoma. Drugs. 2012 Nov 12;72(16):2129-40. doi: 10.2165/11209950-000000000-00000. Approved Alkyldiarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Angiogenesis Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1 20595 175427074 D05380 Pazopanib CHEMBL477772 714438 DB06589 Pazopanib BE0000689 FGF1 P05230 FGF1_HUMAN inhibitor 23072642 Deeks ED: Pazopanib: in advanced soft tissue sarcoma. Drugs. 2012 Nov 12;72(16):2129-40. doi: 10.2165/11209950-000000000-00000. Approved Alkyldiarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Angiogenesis Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1 20595 175427074 D05380 Pazopanib CHEMBL477772 714438 DB06589 Pazopanib BE0004714 SH2B3 Q9UQQ2 SH2B3_HUMAN inhibitor 23072642 Deeks ED: Pazopanib: in advanced soft tissue sarcoma. Drugs. 2012 Nov 12;72(16):2129-40. doi: 10.2165/11209950-000000000-00000. Approved Alkyldiarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Angiogenesis Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1 20595 175427074 D05380 Pazopanib CHEMBL477772 714438 DB06594 Agomelatine BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 15289999 "Millan MJ, Brocco M, Gobert A, Dekeyne A: Anxiolytic properties of agomelatine, an antidepressant with melatoninergic and serotonergic properties: role of 5-HT2C receptor blockade. Psychopharmacology (Berl). 2005 Feb;177(4):448-58. Epub 2004 Jul 31." Approved; Investigational N-acetyl-2-arylethylamines Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives "Melatonin, agonists; Serotonin 5-HT2 Receptor Antagonists; Amides; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP2C9 Inhibitors; Acetates; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Acids, Acyclic; Serotonin Agents; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Substrates" COC1=CC2=C(CCNC(C)=O)C=CC=C2C=C1 175427076 D02578 PA165958363 Agomelatine CHEMBL10878 DB06595 Midostaurin BE0001132 PRKCA P17252 KPCA_HUMAN antagonist 16969355 "Millward MJ, House C, Bowtell D, Webster L, Olver IN, Gore M, Copeman M, Lynch K, Yap A, Wang Y, Cohen PS, Zalcberg J: The multikinase inhibitor midostaurin (PKC412A) lacks activity in metastatic melanoma: a phase IIA clinical and biologic study. Br J Cancer. 2006 Oct 9;95(7):829-34. Epub 2006 Sep 12." Approved; Investigational Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "Cytochrome P-450 CYP2D6 Inhibitors; Receptor Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Indolizidines; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Indoles; Cytochrome P-450 CYP3A7 Inducers; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Protein Kinase C, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strong); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Carbazoles; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Indolizines" CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O)N(C)C(=O)C1=CC=CC=C1 22883 347827778 D05029 Midostaurin CHEMBL608533 1919083 DB06595 Midostaurin BE0000453 KIT P10721 KIT_HUMAN antagonist 16969355 "Millward MJ, House C, Bowtell D, Webster L, Olver IN, Gore M, Copeman M, Lynch K, Yap A, Wang Y, Cohen PS, Zalcberg J: The multikinase inhibitor midostaurin (PKC412A) lacks activity in metastatic melanoma: a phase IIA clinical and biologic study. Br J Cancer. 2006 Oct 9;95(7):829-34. Epub 2006 Sep 12." Approved; Investigational Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "Cytochrome P-450 CYP2D6 Inhibitors; Receptor Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Indolizidines; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Indoles; Cytochrome P-450 CYP3A7 Inducers; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Protein Kinase C, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strong); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Carbazoles; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Indolizines" CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O)N(C)C(=O)C1=CC=CC=C1 22883 347827778 D05029 Midostaurin CHEMBL608533 1919083 DB06599 Lexatumumab BE0003433 TNFRSF10B O14763 TR10B_HUMAN 18056199; 17671142 "Zhang X, Li W, Olumi AF: Low-dose 12-O-tetradecanoylphorbol-13-acetate enhances tumor necrosis factor related apoptosis-inducing ligand induced apoptosis in prostate cancer cells. Clin Cancer Res. 2007 Dec 1;13(23):7181-90.@@Maddipatla S, Hernandez-Ilizaliturri FJ, Knight J, Czuczman MS: Augmented antitumor activity against B-cell lymphoma by a combination of monoclonal antibodies targeting TRAIL-R1 and CD20. Clin Cancer Res. 2007 Aug 1;13(15 Pt 1):4556-64." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Immunoglobulins; Serum Globulins; Receptors, TNF-Related Apoptosis-Inducing Ligand; Immunologic Factors; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" Lexatumumab DB06603 Panobinostat BE0008667 HDAC1 Q9UKV0 HDAC9_HUMAN inhibitor 17455259; 17145876; 26848406 "Beckers T, Burkhardt C, Wieland H, Gimmnich P, Ciossek T, Maier T, Sanders K: Distinct pharmacological properties of second generation HDAC inhibitors with the benzamide or hydroxamate head group. Int J Cancer. 2007 Sep 1;121(5):1138-48.@@Geng L, Cuneo KC, Fu A, Tu T, Atadja PW, Hallahan DE: Histone deacetylase (HDAC) inhibitor LBH589 increases duration of gamma-H2AX foci and confines HDAC4 to the cytoplasm in irradiated non-small cell lung cancer. Cancer Res. 2006 Dec 1;66(23):11298-304.@@Favreau AJ, McGlauflin RE, Duarte CW, Sathyanarayana P: miR-199b, a novel tumor suppressor miRNA in acute myeloid leukemia with prognostic implications. Exp Hematol Oncol. 2016 Feb 3;5:4. doi: 10.1186/s40164-016-0033-6. eCollection 2015." Approved; Investigational Tryptamines and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxylamines; Histone deacetylase (HDAC) inhibitors; Indoles; Cytochrome P-450 Substrates; Histone Deacetylase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Hydroxy Acids; P-glycoprotein substrates; Antineoplastic Agents; Heterocyclic Compounds, Fused-Ring; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Hydroxamic Acids" CC1=C(CCNCC2=CC=C(\C=C\C(=O)NO)C=C2)C2=CC=CC=C2N1 310264874 D10019 PA166161307 Panobinostat CHEMBL483254 1603350 DB06605 Apixaban BE0000216 F10 P00742 FA10_HUMAN inhibitor 17371192; 18393142 "Spyropoulos AC: Investigational treatments of venous thromboembolism. Expert Opin Investig Drugs. 2007 Apr;16(4):431-40.@@Harenberg J, Wehling M: Current and future prospects for anticoagulant therapy: inhibitors of factor Xa and factor IIa. Semin Thromb Hemost. 2008 Feb;34(1):39-57. doi: 10.1055/s-2008-1066023." Approved Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines Protease Inhibitors; Enzyme Inhibitors; Anticoagulants; Cytochrome P-450 CYP3A Substrates; Direct factor Xa inhibitors; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP3A5 Substrates; Blood and Blood Forming Organs; Factor Xa Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Serine Protease Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Hematologic Agents; Cytochrome P-450 CYP1A2 Substrates; Antithrombins COC1=CC=C(C=C1)N1N=C(C(N)=O)C2=C1C(=O)N(CC2)C1=CC=C(C=C1)N1CCCCC1=O 21078 175427077 D03213 PA166163740 Apixaban CHEMBL231779 1364430 DB06606 Teplizumab BE0000274 CD3E P07766 CD3E_HUMAN antibody 10716879; 31523950 "Xu D, Alegre ML, Varga SS, Rothermel AL, Collins AM, Pulito VL, Hanna LS, Dolan KP, Parren PW, Bluestone JA, Jolliffe LK, Zivin RA: In vitro characterization of five humanized OKT3 effector function variant antibodies. Cell Immunol. 2000 Feb 25;200(1):16-26. doi: 10.1006/cimm.2000.1617.@@Gaglia J, Kissler S: Anti-CD3 Antibody for the Prevention of Type 1 Diabetes: A Story of Perseverance. Biochemistry. 2019 Oct 8;58(40):4107-4111. doi: 10.1021/acs.biochem.9b00707. Epub 2019 Sep 24." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Drugs Used in Diabetes; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; CD3-directed Antibody; Immunoproteins; Antibodies, Monoclonal, Humanized; CD3-directed Antibody Interactions; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" Teplizumab 2621880 DB06607 Catumaxomab BE0000274 CD3E P07766 CD3E_HUMAN agonist 20347527 "Seimetz D, Lindhofer H, Bokemeyer C: Development and approval of the trifunctional antibody catumaxomab (anti-EpCAM x anti-CD3) as a targeted cancer immunotherapy. Cancer Treat Rev. 2010 Oct;36(6):458-67. doi: 10.1016/j.ctrv.2010.03.001. Epub 2010 Mar 27." Approved; Investigational; Withdrawn Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Immunotherapy; Cancer immunotherapy; Serum Globulins; Immunoproteins; Bispecific Monoclonal Antibodies; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Antineoplastic Agents" 21300 Catumaxomab DB06607 Catumaxomab BE0000710 FCGR1A P12314 FCGR1_HUMAN agonist 20347527 "Seimetz D, Lindhofer H, Bokemeyer C: Development and approval of the trifunctional antibody catumaxomab (anti-EpCAM x anti-CD3) as a targeted cancer immunotherapy. Cancer Treat Rev. 2010 Oct;36(6):458-67. doi: 10.1016/j.ctrv.2010.03.001. Epub 2010 Mar 27." Approved; Investigational; Withdrawn Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Immunotherapy; Cancer immunotherapy; Serum Globulins; Immunoproteins; Bispecific Monoclonal Antibodies; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Antineoplastic Agents" 21300 Catumaxomab DB06607 Catumaxomab BE0002446 EPCAM P16422 EPCAM_HUMAN ligand 20347527 "Seimetz D, Lindhofer H, Bokemeyer C: Development and approval of the trifunctional antibody catumaxomab (anti-EpCAM x anti-CD3) as a targeted cancer immunotherapy. Cancer Treat Rev. 2010 Oct;36(6):458-67. doi: 10.1016/j.ctrv.2010.03.001. Epub 2010 Mar 27." Approved; Investigational; Withdrawn Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Immunotherapy; Cancer immunotherapy; Serum Globulins; Immunoproteins; Bispecific Monoclonal Antibodies; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Antineoplastic Agents" 21300 Catumaxomab DB06616 Bosutinib BE0000014 ABL1 P00519 ABL1_HUMAN inhibitor Approved 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Myelosuppressive Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs" COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl Bosutinib Inhibition of BCR-ABL drug_action 22234 175427079 D03252 Bosutinib CHEMBL288441 1307619 DB06616 Bosutinib BE0004315 LYN P07948 LYN_HUMAN inhibitor 30969999; 23493838 "Berndt S, Gurevich VV, Iverson TM: Crystal structure of the SH3 domain of human Lyn non-receptor tyrosine kinase. PLoS One. 2019 Apr 10;14(4):e0215140. doi: 10.1371/journal.pone.0215140. eCollection 2019.@@Amsberg GK, Koschmieder S: Profile of bosutinib and its clinical potential in the treatment of chronic myeloid leukemia. Onco Targets Ther. 2013;6:99-106. doi: 10.2147/OTT.S19901. Epub 2013 Mar 4." Approved 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Myelosuppressive Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs" COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl Bosutinib Inhibition of BCR-ABL drug_action 22234 175427079 D03252 Bosutinib CHEMBL288441 1307619 DB06616 Bosutinib BE0000838 SRC P12931 SRC_HUMAN inhibitor Approved 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Myelosuppressive Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs" COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl Bosutinib Inhibition of BCR-ABL drug_action 22234 175427079 D03252 Bosutinib CHEMBL288441 1307619 DB06616 Bosutinib BE0000870 MAP2K1 Q02750 MP2K1_HUMAN inhibitor 19039322 "Remsing Rix LL, Rix U, Colinge J, Hantschel O, Bennett KL, Stranzl T, Muller A, Baumgartner C, Valent P, Augustin M, Till JH, Superti-Furga G: Global target profile of the kinase inhibitor bosutinib in primary chronic myeloid leukemia cells. Leukemia. 2009 Mar;23(3):477-85. doi: 10.1038/leu.2008.334. Epub 2008 Nov 27." Approved 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Myelosuppressive Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs" COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl Bosutinib Inhibition of BCR-ABL drug_action 22234 175427079 D03252 Bosutinib CHEMBL288441 1307619 DB06616 Bosutinib BE0004744 MAP2K2 P36507 MP2K2_HUMAN inhibitor 19039322 "Remsing Rix LL, Rix U, Colinge J, Hantschel O, Bennett KL, Stranzl T, Muller A, Baumgartner C, Valent P, Augustin M, Till JH, Superti-Furga G: Global target profile of the kinase inhibitor bosutinib in primary chronic myeloid leukemia cells. Leukemia. 2009 Mar;23(3):477-85. doi: 10.1038/leu.2008.334. Epub 2008 Nov 27." Approved 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Myelosuppressive Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs" COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl Bosutinib Inhibition of BCR-ABL drug_action 22234 175427079 D03252 Bosutinib CHEMBL288441 1307619 DB06616 Bosutinib BE0004745 MAP3K2 Q9Y2U5 M3K2_HUMAN inhibitor 23134735 "Ahmad S, Hughes MA, Johnson GL, Scott JE: Development and validation of a high-throughput intrinsic ATPase activity assay for the discovery of MEKK2 inhibitors. J Biomol Screen. 2013 Apr;18(4):388-99. doi: 10.1177/1087057112466430. Epub 2012 Nov 7." Approved 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Myelosuppressive Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs" COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl Bosutinib Inhibition of BCR-ABL drug_action 22234 175427079 D03252 Bosutinib CHEMBL288441 1307619 DB06616 Bosutinib BE0004384 CAMK2G Q13555 KCC2G_HUMAN inhibitor 23493838 "Amsberg GK, Koschmieder S: Profile of bosutinib and its clinical potential in the treatment of chronic myeloid leukemia. Onco Targets Ther. 2013;6:99-106. doi: 10.2147/OTT.S19901. Epub 2013 Mar 4." Approved 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Myelosuppressive Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs" COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl Bosutinib Inhibition of BCR-ABL drug_action 22234 175427079 D03252 Bosutinib CHEMBL288441 1307619 DB06616 Bosutinib BE0005539 FGR P09769 FGR_HUMAN inhibitor 23493838 "Amsberg GK, Koschmieder S: Profile of bosutinib and its clinical potential in the treatment of chronic myeloid leukemia. Onco Targets Ther. 2013;6:99-106. doi: 10.2147/OTT.S19901. Epub 2013 Mar 4." Approved 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Myelosuppressive Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs" COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl Bosutinib Inhibition of BCR-ABL drug_action 22234 175427079 D03252 Bosutinib CHEMBL288441 1307619 DB06616 Bosutinib BE0009385 TEC P42680 TEC_HUMAN inhibitor 19039322 "Remsing Rix LL, Rix U, Colinge J, Hantschel O, Bennett KL, Stranzl T, Muller A, Baumgartner C, Valent P, Augustin M, Till JH, Superti-Furga G: Global target profile of the kinase inhibitor bosutinib in primary chronic myeloid leukemia cells. Leukemia. 2009 Mar;23(3):477-85. doi: 10.1038/leu.2008.334. Epub 2008 Nov 27." Approved 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Myelosuppressive Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs" COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl Bosutinib Inhibition of BCR-ABL drug_action 22234 175427079 D03252 Bosutinib CHEMBL288441 1307619 DB06616 Bosutinib BE0004041 SLK Q9H2G2 SLK_HUMAN inhibitor 19039322 "Remsing Rix LL, Rix U, Colinge J, Hantschel O, Bennett KL, Stranzl T, Muller A, Baumgartner C, Valent P, Augustin M, Till JH, Superti-Furga G: Global target profile of the kinase inhibitor bosutinib in primary chronic myeloid leukemia cells. Leukemia. 2009 Mar;23(3):477-85. doi: 10.1038/leu.2008.334. Epub 2008 Nov 27." Approved 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Myelosuppressive Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs" COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl Bosutinib Inhibition of BCR-ABL drug_action 22234 175427079 D03252 Bosutinib CHEMBL288441 1307619 DB06626 Axitinib BE0000029 FLT1 P17948 VGFR1_HUMAN inhibitor 18541897 "Cohen EE, Rosen LS, Vokes EE, Kies MS, Forastiere AA, Worden FP, Kane MA, Sherman E, Kim S, Bycott P, Tortorici M, Shalinsky DR, Liau KF, Cohen RB: Axitinib is an active treatment for all histologic subtypes of advanced thyroid cancer: results from a phase II study. J Clin Oncol. 2008 Oct 10;26(29):4708-13. doi: 10.1200/JCO.2007.15.9566. Epub 2008 Jun 9." Approved; Investigational Diarylthioethers Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers "OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; Enzyme Inhibitors; Indazoles; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Benzene Derivatives; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; Benzoates; Benzamides and benzamide derivatives; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; UGT1A1 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; UGT1A1 Substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CNC(=O)C1=C(SC2=CC=C3C(NN=C3\C=C\C3=CC=CC=N3)=C2)C=CC=C1 21398 347827779 D03218 PA164924493 Axitinib CHEMBL1289926 1242999 DB06634 Casopitant BE0000384 TACR1 P25103 NK1R_HUMAN 21229983 "Di Fabio R, Alvaro G, Griffante C, Pizzi DA, Donati D, Mattioli M, Cimarosti Z, Guercio G, Marchioro C, Provera S, Zonzini L, Montanari D, Melotto S, Gerrard PA, Trist DG, Ratti E, Corsi M: Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2- methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clinical candidate. J Med Chem. 2011 Feb 24;54(4):1071-9. doi: 10.1021/jm1013264. Epub 2011 Jan 13." Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines Antiemetics and Antinauseants; Central Nervous System Agents; Neurokinin-1 Receptor Antagonists; Neurotransmitter Agents; Antiemetics; Amides; Gastrointestinal Agents; Peripheral Nervous System Agents; Autonomic Agents; Alimentary Tract and Metabolism C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1C1=CC=C(F)C=C1C)N1CCN(CC1)C(C)=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F PA166129533 Casopitant CHEMBL1672054 DB06635 Otamixaban BE0000216 F10 P00742 FA10_HUMAN 18060241; 16411387 "Ahrens I, Peter K, Bode C: [Factor Xa-inhibition in interventional cardiology]. Hamostaseologie. 2007 Dec;27(5):328-32.@@Paccaly A, Ozoux ML, Chu V, Simcox K, Marks V, Freyburger G, Sibille M, Shukla U: Pharmacodynamic markers in the early clinical assessment of otamixaban, a direct factor Xa inhibitor. Thromb Haemost. 2005 Dec;94(6):1156-63." Investigational Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines Protease Inhibitors; Serine Protease Inhibitors; Enzyme Inhibitors; Factor Xa Inhibitors; Anticoagulants; Hematologic Agents; Antithrombins COC(=O)[C@H](CC1=CC(=CC=C1)C(N)=N)[C@@H](C)NC(=O)C1=CC=C(C=C1)C1=CC=[N+]([O-])C=C1 Otamixaban CHEMBL46618 DB06637 Dalfampridine BE0004715 KCNA2 P16389 KCNA2_HUMAN antagonist 16472864 "Judge SI, Bever CT Jr: Potassium channel blockers in multiple sclerosis: neuronal Kv channels and effects of symptomatic treatment. Pharmacol Ther. 2006 Jul;111(1):224-59. Epub 2006 Feb 9." Approved Aminopyridines and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives Cytochrome P-450 CYP2E1 Substrates; Cardiovascular Agents; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; OCT2 Substrates with a Narrow Therapeutic Index; Amines; Aminopyridines; Cytochrome P-450 Substrates; Nervous System; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Other Miscellaneous Therapeutic Agents; Potassium Channel Blockers; Membrane Transport Modulators; Pyridines; OCT2 Substrates NC1=CC=NC=C1 21173 175427081 D04127 PA166123389 4-Aminopyridine CHEMBL284348 897018 DB06637 Dalfampridine BE0004716 KCNA3 P22001 KCNA3_HUMAN antagonist 16472864 "Judge SI, Bever CT Jr: Potassium channel blockers in multiple sclerosis: neuronal Kv channels and effects of symptomatic treatment. Pharmacol Ther. 2006 Jul;111(1):224-59. Epub 2006 Feb 9." Approved Aminopyridines and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives Cytochrome P-450 CYP2E1 Substrates; Cardiovascular Agents; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; OCT2 Substrates with a Narrow Therapeutic Index; Amines; Aminopyridines; Cytochrome P-450 Substrates; Nervous System; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Other Miscellaneous Therapeutic Agents; Potassium Channel Blockers; Membrane Transport Modulators; Pyridines; OCT2 Substrates NC1=CC=NC=C1 21173 175427081 D04127 PA166123389 4-Aminopyridine CHEMBL284348 897018 DB06637 Dalfampridine BE0004721 KCNB1 Q14721 KCNB1_HUMAN antagonist 16472864 "Judge SI, Bever CT Jr: Potassium channel blockers in multiple sclerosis: neuronal Kv channels and effects of symptomatic treatment. Pharmacol Ther. 2006 Jul;111(1):224-59. Epub 2006 Feb 9." Approved Aminopyridines and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives Cytochrome P-450 CYP2E1 Substrates; Cardiovascular Agents; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; OCT2 Substrates with a Narrow Therapeutic Index; Amines; Aminopyridines; Cytochrome P-450 Substrates; Nervous System; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Other Miscellaneous Therapeutic Agents; Potassium Channel Blockers; Membrane Transport Modulators; Pyridines; OCT2 Substrates NC1=CC=NC=C1 21173 175427081 D04127 PA166123389 4-Aminopyridine CHEMBL284348 897018 DB06637 Dalfampridine BE0004722 KCNB2 Q92953 KCNB2_HUMAN antagonist 16472864 "Judge SI, Bever CT Jr: Potassium channel blockers in multiple sclerosis: neuronal Kv channels and effects of symptomatic treatment. Pharmacol Ther. 2006 Jul;111(1):224-59. Epub 2006 Feb 9." Approved Aminopyridines and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives Cytochrome P-450 CYP2E1 Substrates; Cardiovascular Agents; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; OCT2 Substrates with a Narrow Therapeutic Index; Amines; Aminopyridines; Cytochrome P-450 Substrates; Nervous System; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Other Miscellaneous Therapeutic Agents; Potassium Channel Blockers; Membrane Transport Modulators; Pyridines; OCT2 Substrates NC1=CC=NC=C1 21173 175427081 D04127 PA166123389 4-Aminopyridine CHEMBL284348 897018 DB06637 Dalfampridine BE0004723 KCNC1 P48547 KCNC1_HUMAN antagonist 16472864 "Judge SI, Bever CT Jr: Potassium channel blockers in multiple sclerosis: neuronal Kv channels and effects of symptomatic treatment. Pharmacol Ther. 2006 Jul;111(1):224-59. Epub 2006 Feb 9." Approved Aminopyridines and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives Cytochrome P-450 CYP2E1 Substrates; Cardiovascular Agents; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; OCT2 Substrates with a Narrow Therapeutic Index; Amines; Aminopyridines; Cytochrome P-450 Substrates; Nervous System; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Other Miscellaneous Therapeutic Agents; Potassium Channel Blockers; Membrane Transport Modulators; Pyridines; OCT2 Substrates NC1=CC=NC=C1 21173 175427081 D04127 PA166123389 4-Aminopyridine CHEMBL284348 897018 DB06637 Dalfampridine BE0003603 KCND2 Q9NZV8 KCND2_HUMAN antagonist 23184313 "Goodman AD, Stone RT: Enhancing neural transmission in multiple sclerosis (4-aminopyridine therapy). Neurotherapeutics. 2013 Jan;10(1):106-10. doi: 10.1007/s13311-012-0156-3." Approved Aminopyridines and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives Cytochrome P-450 CYP2E1 Substrates; Cardiovascular Agents; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; OCT2 Substrates with a Narrow Therapeutic Index; Amines; Aminopyridines; Cytochrome P-450 Substrates; Nervous System; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Other Miscellaneous Therapeutic Agents; Potassium Channel Blockers; Membrane Transport Modulators; Pyridines; OCT2 Substrates NC1=CC=NC=C1 21173 175427081 D04127 PA166123389 4-Aminopyridine CHEMBL284348 897018 DB06637 Dalfampridine BE0003604 KCND3 Q9UK17 KCND3_HUMAN antagonist 16472864 "Judge SI, Bever CT Jr: Potassium channel blockers in multiple sclerosis: neuronal Kv channels and effects of symptomatic treatment. Pharmacol Ther. 2006 Jul;111(1):224-59. Epub 2006 Feb 9." Approved Aminopyridines and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives Cytochrome P-450 CYP2E1 Substrates; Cardiovascular Agents; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; OCT2 Substrates with a Narrow Therapeutic Index; Amines; Aminopyridines; Cytochrome P-450 Substrates; Nervous System; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Other Miscellaneous Therapeutic Agents; Potassium Channel Blockers; Membrane Transport Modulators; Pyridines; OCT2 Substrates NC1=CC=NC=C1 21173 175427081 D04127 PA166123389 4-Aminopyridine CHEMBL284348 897018 DB06641 Perifosine BE0000428 AKT1 P31749 AKT1_HUMAN 18201764 "Shome D, Trent J, Espandar L, Hatef E, Araujo DM, Song CD, Kim SK, Esmaeli B: Ulcerative keratitis in gastrointestinal stromal tumor patients treated with perifosine. Ophthalmology. 2008 Mar;115(3):483-7. doi: 10.1016/j.ophtha.2007.11.016. Epub 2008 Jan 16." Investigational Dialkyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters Quaternary Ammonium Compounds; Onium Compounds; Amines; Trimethyl Ammonium Compounds CCCCCCCCCCCCCCCCCCOP([O-])(=O)OC1CC[N+](C)(C)CC1 Perifosine CHEMBL372764 DB06641 Perifosine BE0000923 MAPK1 P28482 MK01_HUMAN 16528479 "Knowling M, Blackstein M, Tozer R, Bramwell V, Dancey J, Dore N, Matthews S, Eisenhauer E: A phase II study of perifosine (D-21226) in patients with previously untreated metastatic or locally advanced soft tissue sarcoma: A National Cancer Institute of Canada Clinical Trials Group trial. Invest New Drugs. 2006 Sep;24(5):435-9." Investigational Dialkyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters Quaternary Ammonium Compounds; Onium Compounds; Amines; Trimethyl Ammonium Compounds CCCCCCCCCCCCCCCCCCOP([O-])(=O)OC1CC[N+](C)(C)CC1 Perifosine CHEMBL372764 DB06641 Perifosine BE0001132 PRKCA P17252 KPCA_HUMAN 16528479 "Knowling M, Blackstein M, Tozer R, Bramwell V, Dancey J, Dore N, Matthews S, Eisenhauer E: A phase II study of perifosine (D-21226) in patients with previously untreated metastatic or locally advanced soft tissue sarcoma: A National Cancer Institute of Canada Clinical Trials Group trial. Invest New Drugs. 2006 Sep;24(5):435-9." Investigational Dialkyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters Quaternary Ammonium Compounds; Onium Compounds; Amines; Trimethyl Ammonium Compounds CCCCCCCCCCCCCCCCCCOP([O-])(=O)OC1CC[N+](C)(C)CC1 Perifosine CHEMBL372764 DB06643 Denosumab BE0003517 TNFSF11 O14788 TNF11_HUMAN antibody 18685421; 16702197 "Lipton A, Jun S: RANKL inhibition in the treatment of bone metastases. Curr Opin Support Palliat Care. 2008 Sep;2(3):197-203. doi: 10.1097/SPC.0b013e32830baac2.@@Westenfeld R, Ketteler M, Brandenburg VM: Anti-RANKL therapy--implications for the bone-vascular-axis in CKD? Denosumab in post-menopausal women with low bone mineral density. Nephrol Dial Transplant. 2006 Aug;21(8):2075-7. Epub 2006 May 15." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; RANK Ligand Inhibitor; Immunotherapy; Proteins; Immunoglobulins; Musculo-Skeletal System; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases; Immunosuppressive Agents; Bone Density Conservation Agents; RANK Ligand Blocking Activity; Blood Proteins" 20570 347910354 D03684 PA166048634 Denosumab CHEMBL1237023 993449 DB06655 Liraglutide BE0000857 GLP1R P43220 GLP1R_HUMAN agonist 14678021; 18333889 "Bock T, Pakkenberg B, Buschard K: The endocrine pancreas in non-diabetic rats after short-term and long-term treatment with the long-acting GLP-1 derivative NN2211. APMIS. 2003 Dec;111(12):1117-24.@@Larsen PJ, Wulff EM, Gotfredsen CF, Brand CL, Sturis J, Vrang N, Knudsen LB, Lykkegaard K: Combination of the insulin sensitizer, pioglitazone, and the long-acting GLP-1 human analog, liraglutide, exerts potent synergistic glucose-lowering efficacy in severely diabetic ZDF rats. Diabetes Obes Metab. 2008 Apr;10(4):301-11. doi: 10.1111/j.1463-1326.2008.00865.x." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Gastrointestinal Hormones; Incretins; Glucagon-Like Peptide 1; Protein Precursors; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Glucagon-Like Peptides; Proteins; Alimentary Tract and Metabolism; Hormones; Peptides; Pancreatic Hormones; Proglucagon; Glucagon-like peptide-1 (GLP-1) analogues; GLP-1 Agonists; Drugs Used in Diabetes; Peptide Hormones; Hypoglycemia-Associated Agents; Incretin Mimetics; Hormones, Hormone Substitutes, and Hormone Antagonists" 20592 347910356 D06404 PA165958364 P01275 Liraglutide CHEMBL4524066 475968 DB06678 Esmirtazapine BE0000442 HRH1 P35367 HRH1_HUMAN inverse agonist 26047892 "Ivgy-May N, Ruwe F, Krystal A, Roth T: Esmirtazapine in non-elderly adult patients with primary insomnia: efficacy and safety from a randomized, 6-week sleep laboratory trial. Sleep Med. 2015 Jul;16(7):838-44. doi: 10.1016/j.sleep.2015.04.001. Epub 2015 Apr 16." Investigational Piperazinoazepines Organic compounds; Organoheterocyclic compounds; Piperazinoazepines "Adrenergic alpha-2 Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT3 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Dibenzazepines; Agents that produce hypertension; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Histamine Agents; Adrenergic Agents" [H][C@]12CN(C)CCN1C1=C(CC3=CC=CC=C23)C=CC=N1 310264876 Esmirtazapine CHEMBL1366933 DB06678 Esmirtazapine BE0004957 HTR2A P28335 5HT2C_HUMAN inverse agonist 26047892 "Ivgy-May N, Ruwe F, Krystal A, Roth T: Esmirtazapine in non-elderly adult patients with primary insomnia: efficacy and safety from a randomized, 6-week sleep laboratory trial. Sleep Med. 2015 Jul;16(7):838-44. doi: 10.1016/j.sleep.2015.04.001. Epub 2015 Apr 16." Investigational Piperazinoazepines Organic compounds; Organoheterocyclic compounds; Piperazinoazepines "Adrenergic alpha-2 Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT3 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Dibenzazepines; Agents that produce hypertension; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Histamine Agents; Adrenergic Agents" [H][C@]12CN(C)CCN1C1=C(CC3=CC=CC=C23)C=CC=N1 310264876 Esmirtazapine CHEMBL1366933 DB06680 Asoprisnil BE0000557 PGR P06401 PRGR_HUMAN 15857972; 15714390 "Chwalisz K, Perez MC, Demanno D, Winkel C, Schubert G, Elger W: Selective progesterone receptor modulator development and use in the treatment of leiomyomata and endometriosis. Endocr Rev. 2005 May;26(3):423-38. Epub 2005 Apr 27.@@Schubert G, Elger W, Kaufmann G, Schneider B, Reddersen G, Chwalisz K: Discovery, chemistry, and reproductive pharmacology of asoprisnil and related 11beta-benzaldoxime substituted selective progesterone receptor modulators (SPRMs). Semin Reprod Med. 2005 Feb;23(1):58-73." Investigational Oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids Fused-Ring Compounds; Amines; Estranes; Hydroxylamines; Steroids [H]\C(=N/O)C1=CC=C(C=C1)[C@@]1([H])C[C@@]2(C)[C@@]([H])(CC[C@]2(COC)OC)[C@]2([H])CCC3=CC(=O)CCC3=C12 Asoprisnil CHEMBL267431 DB06691 Mepyramine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 19544046; 19537525; 19552055; 16402096; 1979798 "Moriyama K, Liu J, Jang Y, Chae YJ, Wang Y, Mitchell J, Grond S, Han X, Xing Y, Xie GX, Pierce Palmer P: Receptor mediation and nociceptin inhibition of bradykinin-induced plasma extravasation in the knee joint of the rat. Inflamm Res. 2009 Dec;58(12):873-80. doi: 10.1007/s00011-009-0058-y. Epub 2009 Jun 21.@@Chhabria MT, Patel VT, Rajan KS, Brahmkshatriya PS: Design, synthesis and histamine H1-receptor antagonistic activity of some novel 4-amino-2-(substituted)-5-(substituted) aryl-6-[(substituted aryl) amino] pyrimidines. Arzneimittelforschung. 2009;59(5):243-7.@@Mojtahedin A, Tamaddonfard E, Zanboori A: Antinociception induced by central administration of histamine in the formalin test in rats. Indian J Physiol Pharmacol. 2008 Jul-Sep;52(3):249-54.@@Parsons ME, Ganellin CR: Histamine and its receptors. Br J Pharmacol. 2006 Jan;147 Suppl 1:S127-35.@@Snowman AM, Snyder SH: Cetirizine: actions on neurotransmitter receptors. J Allergy Clin Immunol. 1990 Dec;86(6 Pt 2):1025-8." Approved; Vet_approved 2-benzylaminopyridines Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylamines "Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Pyridines; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Substituted Ethylene Diamines; Potential QTc-Prolonging Agents; Sleep Aids, Pharmaceutical; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Central Nervous System Agents; Aminopyridines; Neurotransmitter Agents; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use" COC1=CC=C(CN(CCN(C)C)C2=NC=CC=C2)C=C1 Mepyramine H1-Antihistamine Action drug_action 7155 175427084 D08183 PA165817939 Mepyramine CHEMBL511 9009 DB06693 Mevastatin BE0000574 HMGCR P04035 HMDH_HUMAN inhibitor 12433810; 12518039; 12671581; 12677170; 12852453; 11752352; 10592235 "Kocarek TA, Dahn MS, Cai H, Strom SC, Mercer-Haines NA: Regulation of CYP2B6 and CYP3A expression by hydroxymethylglutaryl coenzyme A inhibitors in primary cultured human hepatocytes. Drug Metab Dispos. 2002 Dec;30(12):1400-5.@@Cenedella RJ, Kuszak JR, Al-Ghoul KJ, Qin S, Sexton PS: Discordant expression of the sterol pathway in lens underlies simvastatin-induced cataracts in Chbb: Thom rats. J Lipid Res. 2003 Jan;44(1):198-211.@@Stoebner PE, Michot C, Ligeron C, Durand L, Meynadier J, Meunier L: [Simvastatin-induced lichen planus pemphigoides]. Ann Dermatol Venereol. 2003 Feb;130(2 Pt 1):187-90.@@Pappu AS, Bacon SP, Illingworth DR: Residual effects of lovastatin and simvastatin on urinary mevalonate excretions in patients with familial hypercholesterolemia. J Lab Clin Med. 2003 Apr;141(4):250-6.@@Liu L, Zhang R, Zhao JJ, Rogers JD, Hsieh JY, Fang W, Matuszewski BK, Dobrinska MR: Determination of simvastatin-derived HMG-CoA reductase inhibitors in biomatrices using an automated enzyme inhibition assay with radioactivity detection. J Pharm Biomed Anal. 2003 Apr 24;32(1):107-23.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Delta valerolactones Organic compounds; Organoheterocyclic compounds; Lactones; Delta valerolactones Agents Causing Muscle Toxicity; Anti-Infective Agents; Enzyme Inhibitors; Antifungal Agents; Naphthalenes; Anticholesteremic Agents; Hydroxymethylglutaryl-CoA Reductase Inhibitors; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Lipid Regulating Agents [H][C@]12[C@H](CCC=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC 99443247 Mevastatin CHEMBL54440 DB06694 Xylometazoline BE0000715 ADRA1D P25100 ADA1D_HUMAN agonist 20030735 "Haenisch B, Walstab J, Herberhold S, Bootz F, Tschaikin M, Ramseger R, Bonisch H: Alpha-adrenoceptor agonistic activity of oxymetazoline and xylometazoline. Fundam Clin Pharmacol. 2010 Dec;24(6):729-39. doi: 10.1111/j.1472-8206.2009.00805.x." Approved; Investigational Phenylpropanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes "Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Nasal Decongestants; Sympathomimetics Used as Decongestants; Cardiovascular Agents; Calcium Channel Blockers; Vasoconstrictor Agents; Nasal Preparations; Adrenergic Agonists; Vasodilating Agents; Agents that produce hypertension; Respiratory System Agents; Adrenergic alpha-1 Receptor Agonists; Antiarrhythmic agents; Ophthalmologicals; Decongestants and Antiallergics; Antihistamine Drugs; Sympathomimetics, Plain; Sensory Organs" CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C 5869 99443248 D08684 PA165958368 Xylometazoline CHEMBL312448 39841 DB06698 Betahistine BE0000442 HRH1 P35367 HRH1_HUMAN agonist 18447604; 11700150; 19300572 "Barak N: Betahistine: what's new on the agenda? Expert Opin Investig Drugs. 2008 May;17(5):795-804. doi: 10.1517/13543784.17.5.795 .@@Lacour M, Sterkers O: Histamine and betahistine in the treatment of vertigo: elucidation of mechanisms of action. CNS Drugs. 2001;15(11):853-70.@@Lacour M, van de Heyning PH, Novotny M, Tighilet B: Betahistine in the treatment of Meniere's disease. Neuropsychiatr Dis Treat. 2007 Aug;3(4):429-40." Approved; Investigational Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines Miscellaneous Therapeutic Agents; Histamine Agonists; Histamine Antagonists; Antivertigo Preparations; Vasodilating Agents; Neurotransmitter Agents; Nervous System; Histamine Agents; Miscellaneous Central Nervous System Agents; Pyridines CNCCC1=CC=CC=N1 Betahistine H1-Antihistamine Action drug_action 9483 99443252 D07522 PA165958372 Betahistine CHEMBL24441 1511 DB06699 Degarelix BE0000203 GNRHR P30968 GNRHR_HUMAN antagonist 20110043; 20053189; 19450172; 15705170 "Steinberg M: Degarelix: a gonadotropin-releasing hormone antagonist for the management of prostate cancer. Clin Ther. 2009;31 Pt 2:2312-31. doi: 10.1016/j.clinthera.2009.11.009.@@Kirby RS, Fitzpatrick JM, Clarke N: Abarelix and other gonadotrophin-releasing hormone antagonists in prostate cancer. BJU Int. 2009 Dec;104(11):1580-4. doi: 10.1111/j.1464-410X.2009.08924.x.@@Anderson J: Degarelix: a novel gonadotropin-releasing hormone blocker for the treatment of prostate cancer. Future Oncol. 2009 May;5(4):433-43. doi: 10.2217/fon.09.24.@@Samant MP, Miller C, Hong DJ, Koerber SC, Croston G, Rivier CL, Rivier JE: Synthesis and biological activity of GnRH antagonists modified at position 3 with 3-(2-methoxy-5-pyridyl)-alanine. J Pept Res. 2005 Feb;65(2):284-91." Approved Polypeptides Organic compounds; Organic Polymers; Polypeptides "Potential QTc-Prolonging Agents; Antineoplastic and Immunomodulating Agents; Decreased GnRH Secretion; Gonadotropin-releasing Hormone Antagonists; Endocrine Therapy; QTc Prolonging Agents; Gonadotropin-Releasing Hormone, antagonists & inhibitors; Gonadotropin Releasing Hormone Receptor Antagonists; Peptides; Hormone Antagonists and Related Agents; Amino Acids, Peptides, and Proteins; Antineoplastic Agents" CC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C(NC(N)=O)C=C1)NC(=O)[C@H](CC1=CC=C(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC=C2C=CC=CC2=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O 20557 99443253 D08901 PA165958373 Degarelix CHEMBL415606 475230 DB06702 Fesoterodine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 11752352; 12076307 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Nilvebrant L: Tolterodine and its active 5-hydroxymethyl metabolite: pure muscarinic receptor antagonists. Pharmacol Toxicol. 2002 May;90(5):260-7." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Anticholinergic Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Cytochrome P-450 CYP2D6 Substrates; P-glycoprotein substrates; Urological Agents; Cytochrome P-450 Substrates; Genitourinary Agents; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Urologicals; Benzene Derivatives; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Substrates; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1)C(C)C 21178 99443256 D07226 PA165958376 Fesoterodine CHEMBL1201764 797195 DB06702 Fesoterodine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 19029429 "Mansfield KJ, Chandran JJ, Vaux KJ, Millard RJ, Christopoulos A, Mitchelson FJ, Burcher E: Comparison of receptor binding characteristics of commonly used muscarinic antagonists in human bladder detrusor and mucosa. J Pharmacol Exp Ther. 2009 Mar;328(3):893-9. doi: 10.1124/jpet.108.145508. Epub 2008 Nov 24." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Anticholinergic Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Cytochrome P-450 CYP2D6 Substrates; P-glycoprotein substrates; Urological Agents; Cytochrome P-450 Substrates; Genitourinary Agents; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Urologicals; Benzene Derivatives; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Substrates; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1)C(C)C 21178 99443256 D07226 PA165958376 Fesoterodine CHEMBL1201764 797195 DB06702 Fesoterodine BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 19029429 "Mansfield KJ, Chandran JJ, Vaux KJ, Millard RJ, Christopoulos A, Mitchelson FJ, Burcher E: Comparison of receptor binding characteristics of commonly used muscarinic antagonists in human bladder detrusor and mucosa. J Pharmacol Exp Ther. 2009 Mar;328(3):893-9. doi: 10.1124/jpet.108.145508. Epub 2008 Nov 24." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Anticholinergic Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Cytochrome P-450 CYP2D6 Substrates; P-glycoprotein substrates; Urological Agents; Cytochrome P-450 Substrates; Genitourinary Agents; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Urologicals; Benzene Derivatives; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Substrates; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1)C(C)C 21178 99443256 D07226 PA165958376 Fesoterodine CHEMBL1201764 797195 DB06709 Methacholine BE0000045 CHRM3 P20309 ACM3_HUMAN agonist 20888332; 20347047; 19951374; 19460789; 14993104; 12611815 "Liu PS, Chen YY, Feng CK, Lin YH, Yu TC: Muscarinic acetylcholine receptors present in human osteoblast and bone tissue. Eur J Pharmacol. 2011 Jan 10;650(1):34-40. doi: 10.1016/j.ejphar.2010.09.031. Epub 2010 Oct 1.@@Fernandez-Rodriguez S, Broadley KJ, Ford WR, Kidd EJ: Increased muscarinic receptor activity of airway smooth muscle isolated from a mouse model of allergic asthma. Pulm Pharmacol Ther. 2010 Aug;23(4):300-7. doi: 10.1016/j.pupt.2010.03.001. Epub 2010 Mar 25.@@Liu T, Xie C, Chen X, Zhao F, Liu AM, Cho DB, Chong J, Yang PC: Role of muscarinic receptor activation in regulating immune cell activity in nasal mucosa. Allergy. 2010 Aug;65(8):969-77. doi: 10.1111/j.1398-9995.2009.02281.x. Epub 2009 Nov 27.@@Gosens R, Rieks D, Meurs H, Ninaber DK, Rabe KF, Nanninga J, Kolahian S, Halayko AJ, Hiemstra PS, Zuyderduyn S: Muscarinic M3 receptor stimulation increases cigarette smoke-induced IL-8 secretion by human airway smooth muscle cells. Eur Respir J. 2009 Dec;34(6):1436-43. doi: 10.1183/09031936.00045209. Epub 2009 May 21.@@Gosens R, Bromhaar MM, Tonkes A, Schaafsma D, Zaagsma J, Nelemans SA, Meurs H: Muscarinic M(3) receptor-dependent regulation of airway smooth muscle contractile phenotype. Br J Pharmacol. 2004 Mar;141(6):943-50. doi: 10.1038/sj.bjp.0705709. Epub 2004 Mar 1.@@Borchers MT, Biechele T, Justice JP, Ansay T, Cormier S, Mancino V, Wilkie TM, Simon MI, Lee NA, Lee JJ: Methacholine-induced airway hyperresponsiveness is dependent on Galphaq signaling. Am J Physiol Lung Cell Mol Physiol. 2003 Jul;285(1):L114-20. doi: 10.1152/ajplung.00322.2002. Epub 2003 Feb 28." Approved; Investigational Tetraalkylammonium salts Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Trimethyl Ammonium Compounds; Miotics; Cholinergic Agents; Autonomic Agents; Methacholine Compounds; Parasympathomimetics; Muscarinic Agonists; Other Diagnostics; Cholinergic Receptor Agonist; Diagnostic Agents; Bronchoconstrictor Agents; Onium Compounds; Respiratory System Agents; Peripheral Nervous System Agents; Cholinergic Agonists; Neurotransmitter Agents; Ammonium Compounds CC(C[N+](C)(C)C)OC(C)=O 9543 99443261 PA165958382 Methacholine CHEMBL978 155080 DB06709 Methacholine BE0000560 CHRM2 P08172 ACM2_HUMAN agonist 23691511 "Castro JM, Resende RR, Mirotti L, Florsheim E, Albuquerque LL, Lino-dos-Santos-Franco A, Gomes E, de Lima WT, de Franco M, Ribeiro OG, Russo M: Role of m2 muscarinic receptor in the airway response to methacholine of mice selected for minimal or maximal acute inflammatory response. Biomed Res Int. 2013;2013:805627. doi: 10.1155/2013/805627. Epub 2013 Apr 18." Approved; Investigational Tetraalkylammonium salts Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Trimethyl Ammonium Compounds; Miotics; Cholinergic Agents; Autonomic Agents; Methacholine Compounds; Parasympathomimetics; Muscarinic Agonists; Other Diagnostics; Cholinergic Receptor Agonist; Diagnostic Agents; Bronchoconstrictor Agents; Onium Compounds; Respiratory System Agents; Peripheral Nervous System Agents; Cholinergic Agonists; Neurotransmitter Agents; Ammonium Compounds CC(C[N+](C)(C)C)OC(C)=O 9543 99443261 PA165958382 Methacholine CHEMBL978 155080 DB06709 Methacholine BE0000247 CHRM5 P08912 ACM5_HUMAN agonist 21091801 "Gonzalez JC, Albinana E, Baldelli P, Garcia AG, Hernandez-Guijo JM: Presynaptic muscarinic receptor subtypes involved in the enhancement of spontaneous GABAergic postsynaptic currents in hippocampal neurons. Eur J Neurosci. 2011 Jan;33(1):69-81. doi: 10.1111/j.1460-9568.2010.07475.x. Epub 2010 Nov 23." Approved; Investigational Tetraalkylammonium salts Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Trimethyl Ammonium Compounds; Miotics; Cholinergic Agents; Autonomic Agents; Methacholine Compounds; Parasympathomimetics; Muscarinic Agonists; Other Diagnostics; Cholinergic Receptor Agonist; Diagnostic Agents; Bronchoconstrictor Agents; Onium Compounds; Respiratory System Agents; Peripheral Nervous System Agents; Cholinergic Agonists; Neurotransmitter Agents; Ammonium Compounds CC(C[N+](C)(C)C)OC(C)=O 9543 99443261 PA165958382 Methacholine CHEMBL978 155080 DB06710 Methyltestosterone BE0000132 AR P10275 ANDR_HUMAN agonist 17084172; 17086931; 17128417; 17202804; 17322500; 11752352 "Small EJ, Ryan CJ: The case for secondary hormonal therapies in the chemotherapy age. J Urol. 2006 Dec;176(6 Pt 2):S66-71.@@Omwancha J, Brown TR: Selective androgen receptor modulators: in pursuit of tissue-selective androgens. Curr Opin Investig Drugs. 2006 Oct;7(10):873-81.@@Petraki CD, Sfikas CP: Histopathological changes induced by therapies in the benign prostate and prostate adenocarcinoma. Histol Histopathol. 2007 Jan;22(1):107-18.@@Maudsley S, Davidson L, Pawson AJ, Freestone SH, Lopez de Maturana R, Thomson AA, Millar RP: Gonadotropin-releasing hormone functionally antagonizes testosterone activation of the human androgen receptor in prostate cells through focal adhesion complexes involving Hic-5. Neuroendocrinology. 2006;84(5):285-300. Epub 2007 Jan 4.@@Lapauw B, Goemaere S, Crabbe P, Kaufman JM, Ruige JB: Is the effect of testosterone on body composition modulated by the androgen receptor gene CAG repeat polymorphism in elderly men? Eur J Endocrinol. 2007 Mar;156(3):395-401.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; 3-Oxoandrosten (4) Derivatives; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Steroids; Antineoplastic Agents; Hormones; Fused-Ring Compounds; Androgens and Estrogens; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Antineoplastic Agents, Hormonal; OAT3/SLC22A8 Inducers; Anabolic Agents; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7497 99443262 D00408 PA165958383 Methyltestosterone CHEMBL1395 6904 DB06710 Methyltestosterone BE0000123 ESR1 P03372 ESR1_HUMAN 25012808 "Huang R, Sakamuru S, Martin MT, Reif DM, Judson RS, Houck KA, Casey W, Hsieh JH, Shockley KR, Ceger P, Fostel J, Witt KL, Tong W, Rotroff DM, Zhao T, Shinn P, Simeonov A, Dix DJ, Austin CP, Kavlock RJ, Tice RR, Xia M: Profiling of the Tox21 10K compound library for agonists and antagonists of the estrogen receptor alpha signaling pathway. Sci Rep. 2014 Jul 11;4:5664. doi: 10.1038/srep05664." Approved Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; 3-Oxoandrosten (4) Derivatives; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Steroids; Antineoplastic Agents; Hormones; Fused-Ring Compounds; Androgens and Estrogens; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Antineoplastic Agents, Hormonal; OAT3/SLC22A8 Inducers; Anabolic Agents; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7497 99443262 D00408 PA165958383 Methyltestosterone CHEMBL1395 6904 DB06712 Nilvadipine BE0000430 CACNA1C Q13936 CAC1C_HUMAN inhibitor 7898101; 9846638 "Rosenthal J: Nilvadipine: profile of a new calcium antagonist. An overview. J Cardiovasc Pharmacol. 1994;24 Suppl 2:S92-107.@@Morel N, Buryi V, Feron O, Gomez JP, Christen MO, Godfraind T: The action of calcium channel blockers on recombinant L-type calcium channel alpha1-subunits. Br J Pharmacol. 1998 Nov;125(5):1005-12." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N 99443264 D01908 PA165958385 Nilvadipine CHEMBL517427 53692 DB06712 Nilvadipine BE0000691 CACNA2D1 P54289 CA2D1_HUMAN inhibitor 16484345; 11752352; 20933604 "Li GR, Deng XL, Sun H, Chung SS, Tse HF, Lau CP: Ion channels in mesenchymal stem cells from rat bone marrow. Stem Cells. 2006 Jun;24(6):1519-28. Epub 2006 Feb 16.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Araie M, Mayama C: Use of calcium channel blockers for glaucoma. Prog Retin Eye Res. 2011 Jan;30(1):54-71. doi: 10.1016/j.preteyeres.2010.09.002. Epub 2010 Oct 8." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N 99443264 D01908 PA165958385 Nilvadipine CHEMBL517427 53692 DB06712 Nilvadipine BE0002354 CACNB2 Q08289 CACB2_HUMAN inhibitor 7898101; 1283184; 20933604 "Rosenthal J: Nilvadipine: profile of a new calcium antagonist. An overview. J Cardiovasc Pharmacol. 1994;24 Suppl 2:S92-107.@@Honerjager P, Seibel K: Pharmacodynamics of nilvadipine, a new dihydropyridine-type calcium antagonist. J Cardiovasc Pharmacol. 1992;20 Suppl 6:S15-21.@@Araie M, Mayama C: Use of calcium channel blockers for glaucoma. Prog Retin Eye Res. 2011 Jan;30(1):54-71. doi: 10.1016/j.preteyeres.2010.09.002. Epub 2010 Oct 8." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N 99443264 D01908 PA165958385 Nilvadipine CHEMBL517427 53692 DB06712 Nilvadipine BE0002359 CACNA1D Q01668 CAC1D_HUMAN inhibitor 19029287 "Sinnegger-Brauns MJ, Huber IG, Koschak A, Wild C, Obermair GJ, Einzinger U, Hoda JC, Sartori SB, Striessnig J: Expression and 1,4-dihydropyridine-binding properties of brain L-type calcium channel isoforms. Mol Pharmacol. 2009 Feb;75(2):407-14. doi: 10.1124/mol.108.049981. Epub 2008 Nov 24." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N 99443264 D01908 PA165958385 Nilvadipine CHEMBL517427 53692 DB06712 Nilvadipine BE0002355 CACNA1S Q13698 CAC1S_HUMAN inhibitor 16675661 "Peterson BZ, Catterall WA: Allosteric interactions required for high-affinity binding of dihydropyridine antagonists to Ca(V)1.1 Channels are modulated by calcium in the pore. Mol Pharmacol. 2006 Aug;70(2):667-75. Epub 2006 May 4." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N 99443264 D01908 PA165958385 Nilvadipine CHEMBL517427 53692 DB06712 Nilvadipine BE0003563 CACNA2D3 Q8IZS8 CA2D3_HUMAN inhibitor 9249249; 10525060; 20097194; 11426839; 19634509; 10374627 "Furukawa T, Nukada T, Suzuki K, Fujita Y, Mori Y, Nishimura M, Yamanaka M: Voltage and pH dependent block of cloned N-type Ca2+ channels by amlodipine. Br J Pharmacol. 1997 Jul;121(6):1136-40.@@Furukawa T, Yamakawa T, Midera T, Sagawa T, Mori Y, Nukada T: Selectivities of dihydropyridine derivatives in blocking Ca(2+) channel subtypes expressed in Xenopus oocytes. J Pharmacol Exp Ther. 1999 Nov;291(2):464-73.@@Miyashita Y, Furukawa T, Kamegaya E, Yoshii M, Nukada T: A region of N-type Ca(2+) channel critical for blockade by the dihydropyridine amlodipine. Eur J Pharmacol. 2010 Apr 25;632(1-3):14-22. doi: 10.1016/j.ejphar.2010.01.006. Epub 2010 Jan 22.@@Murakami M, Nakagawasai O, Fujii S, Kameyama K, Murakami S, Hozumi S, Esashi A, Taniguchi R, Yanagisawa T, Tan-no K, Tadano T, Kitamura K, Kisara K: Antinociceptive action of amlodipine blocking N-type Ca2+ channels at the primary afferent neurons in mice. Eur J Pharmacol. 2001 May 11;419(2-3):175-81.@@Ogihara T, Kano T, Kakinuma C: Evaluation of the inhibitory effect of dihydropyridines on N-type calcium channel by virtual three-dimensional pharmacophore modeling. Arzneimittelforschung. 2009;59(6):283-8. doi: 10.1055/s-0031-1296398.@@Qu YL, Sugiyama K, Ohnuki T, Hattori K, Watanabe K, Nagatomo T: Comparison of binding affinities of omega-conotoxin and amlodipine to N-type Ca2+ channels in rat brain. Zhongguo Yao Li Xue Bao. 1998 Mar;19(2):97-100." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N 99443264 D01908 PA165958385 Nilvadipine CHEMBL517427 53692 DB06712 Nilvadipine BE0000864 CACNA1H O95180 CAC1H_HUMAN inhibitor 19401195 "Furukawa T, Nukada T, Namiki Y, Miyashita Y, Hatsuno K, Ueno Y, Yamakawa T, Isshiki T: Five different profiles of dihydropyridines in blocking T-type Ca(2+) channel subtypes (Ca(v)3.1 (alpha(1G)), Ca(v)3.2 (alpha(1H)), and Ca(v)3.3 (alpha(1I))) expressed in Xenopus oocytes. Eur J Pharmacol. 2009 Jun 24;613(1-3):100-7. doi: 10.1016/j.ejphar.2009.04.036. Epub 2009 May 3." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N 99443264 D01908 PA165958385 Nilvadipine CHEMBL517427 53692 DB06712 Nilvadipine BE0000012 CACNA1I Q9P0X4 CAC1I_HUMAN inhibitor 19401195 "Furukawa T, Nukada T, Namiki Y, Miyashita Y, Hatsuno K, Ueno Y, Yamakawa T, Isshiki T: Five different profiles of dihydropyridines in blocking T-type Ca(2+) channel subtypes (Ca(v)3.1 (alpha(1G)), Ca(v)3.2 (alpha(1H)), and Ca(v)3.3 (alpha(1I))) expressed in Xenopus oocytes. Eur J Pharmacol. 2009 Jun 24;613(1-3):100-7. doi: 10.1016/j.ejphar.2009.04.036. Epub 2009 May 3." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N 99443264 D01908 PA165958385 Nilvadipine CHEMBL517427 53692 DB06712 Nilvadipine BE0009739 CACNA1C O00305 CACB4_HUMAN blocker 16398057 Richard S: Vascular effects of calcium channel antagonists: new evidence. Drugs. 2005;65 Suppl 2:1-10. doi: 10.2165/00003495-200565002-00002. Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N 99443264 D01908 PA165958385 Nilvadipine CHEMBL517427 53692 DB06712 Nilvadipine BE0008716 CACNA1G Q9P0X4 CAC1I_HUMAN inhibitor 16398057 Richard S: Vascular effects of calcium channel antagonists: new evidence. Drugs. 2005;65 Suppl 2:1-10. doi: 10.2165/00003495-200565002-00002. Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N 99443264 D01908 PA165958385 Nilvadipine CHEMBL517427 53692 DB06713 Norelgestromin BE0000557 PGR P06401 PRGR_HUMAN agonist 19962254; 1324557; 17107221; 7750291; 8384965 "Pasqualini JR: Breast cancer and steroid metabolizing enzymes: the role of progestogens. Maturitas. 2009 Dec;65 Suppl 1:S17-21. doi: 10.1016/j.maturitas.2009.11.006. Epub 2009 Dec 3.@@London RS, Chapdelaine A, Upmalis D, Olson W, Smith J: Comparative contraceptive efficacy and mechanism of action of the norgestimate-containing triphasic oral contraceptive. Acta Obstet Gynecol Scand Suppl. 1992;156:9-14.@@Graziottin A: A review of transdermal hormonal contraception : focus on the ethinylestradiol/norelgestromin contraceptive patch. Treat Endocrinol. 2006;5(6):359-65.@@Kuhnz W, Fritzemeier KH, Hegele-Hartung C, Krattenmacher R: Comparative progestational activity of norgestimate, levonorgestrel-oxime and levonorgestrel in the rat and binding of these compounds to the progesterone receptor. Contraception. 1995 Feb;51(2):131-9.@@Juchem M, Pollow K, Elger W, Hoffmann G, Mobus V: Receptor binding of norgestimate--a new orally active synthetic progestational compound. Contraception. 1993 Mar;47(3):283-94." Approved; Investigational Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Amines; Cytochrome P-450 CYP3A Substrates; Hydroxylamines; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Pharmaceutical Preparations; Combination Contraceptives (with Estrogen and derivatives); Contraceptive Agents, Female; Reproductive Control Agents" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(C=C3CC[C@@]21[H])=NO 12172 99443265 D05205 Norelgestromin CHEMBL1200807 326374 DB06713 Norelgestromin BE0000132 AR P10275 ANDR_HUMAN partial agonist 15625768 "Prifti S, Lelle I, Strowitzki T, Rabe T: Induction of androgen receptor activity by norgestimate and norelgestromin in MDA-MB 231 breast cancer cells. Gynecol Endocrinol. 2004 Jul;19(1):18-21." Approved; Investigational Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Amines; Cytochrome P-450 CYP3A Substrates; Hydroxylamines; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Pharmaceutical Preparations; Combination Contraceptives (with Estrogen and derivatives); Contraceptive Agents, Female; Reproductive Control Agents" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(C=C3CC[C@@]21[H])=NO 12172 99443265 D05205 Norelgestromin CHEMBL1200807 326374 DB06716 Fospropofol BE0002346 GABRB2 P47870 GBRB2_HUMAN potentiator 16402123 Franks NP: Molecular targets underlying general anaesthesia. Br J Pharmacol. 2006 Jan;147 Suppl 1:S72-81. Approved; Illicit; Investigational Cumenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Cumenes "Anesthetics, General; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Hypnotics and Sedatives; Phenols; Anesthetics; Benzene Derivatives" CC(C)C1=CC=CC(C(C)C)=C1OCOP(O)(O)=O 99443268 D04257 PA165958389 Fospropofol CHEMBL1201766 828682 DB06716 Fospropofol BE0002345 GABRB3 P28472 GBRB3_HUMAN potentiator 16402123 Franks NP: Molecular targets underlying general anaesthesia. Br J Pharmacol. 2006 Jan;147 Suppl 1:S72-81. Approved; Illicit; Investigational Cumenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Cumenes "Anesthetics, General; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Hypnotics and Sedatives; Phenols; Anesthetics; Benzene Derivatives" CC(C)C1=CC=CC(C(C)C)=C1OCOP(O)(O)=O 99443268 D04257 PA165958389 Fospropofol CHEMBL1201766 828682 DB06718 Stanozolol BE0000132 AR P10275 ANDR_HUMAN agonist 16159155; 6539197; 12589933 "Gao W, Bohl CE, Dalton JT: Chemistry and structural biology of androgen receptor. Chem Rev. 2005 Sep;105(9):3352-70. doi: 10.1021/cr020456u.@@Saartok T, Dahlberg E, Gustafsson JA: Relative binding affinity of anabolic-androgenic steroids: comparison of the binding to the androgen receptors in skeletal muscle and in prostate, as well as to sex hormone-binding globulin. Endocrinology. 1984 Jun;114(6):2100-6. doi: 10.1210/endo-114-6-2100.@@Holterhus PM, Piefke S, Hiort O: Anabolic steroids, testosterone-precursors and virilizing androgens induce distinct activation profiles of androgen responsive promoter constructs. J Steroid Biochem Mol Biol. 2002 Nov;82(4-5):269-75." Approved; Vet_approved Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Fused-Ring Compounds; Anabolic Agents for Systemic Use; Androgens; Thyroxine-binding globulin inhibitors; Androstan Derivatives; Androstanols; Androstanes; Anabolic Agents; Steroids; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=NNC=C3C[C@]12C 7457 99443270 D00444 PA165958391 Stanozolol CHEMBL2079587 10032 DB06719 Buserelin BE0000134 LHCGR P22888 LSHR_HUMAN 20053189 "Kirby RS, Fitzpatrick JM, Clarke N: Abarelix and other gonadotrophin-releasing hormone antagonists in prostate cancer. BJU Int. 2009 Dec;104(11):1580-4. doi: 10.1111/j.1464-410X.2009.08924.x." Approved; Investigational "Pituitary Hormone-Releasing Hormones; Fertility Agents, Female; Gonadotropin-releasing hormone agonist; QTc Prolonging Agents; Hyperglycemia-Associated Agents; Amino Acids, Peptides, and Proteins; Miscellaneous Therapeutic Agents; Nerve Tissue Proteins; Proteins; Fertility Agents; Antineoplastic Agents; Hormones; Potential QTc-Prolonging Agents; Adrenal Cortex Hormones; Oligopeptides; Neuropeptides; Peptides; Antineoplastic and Immunomodulating Agents; Peptide Hormones; Endocrine Therapy; Hormones and Related Agents; Hypothalamic Hormones; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1 7345 347910362 D01831 Buserelin CHEMBL2110824 1825 DB06719 Buserelin BE0000203 GNRHR P30968 GNRHR_HUMAN 20053189 "Kirby RS, Fitzpatrick JM, Clarke N: Abarelix and other gonadotrophin-releasing hormone antagonists in prostate cancer. BJU Int. 2009 Dec;104(11):1580-4. doi: 10.1111/j.1464-410X.2009.08924.x." Approved; Investigational "Pituitary Hormone-Releasing Hormones; Fertility Agents, Female; Gonadotropin-releasing hormone agonist; QTc Prolonging Agents; Hyperglycemia-Associated Agents; Amino Acids, Peptides, and Proteins; Miscellaneous Therapeutic Agents; Nerve Tissue Proteins; Proteins; Fertility Agents; Antineoplastic Agents; Hormones; Potential QTc-Prolonging Agents; Adrenal Cortex Hormones; Oligopeptides; Neuropeptides; Peptides; Antineoplastic and Immunomodulating Agents; Peptide Hormones; Endocrine Therapy; Hormones and Related Agents; Hypothalamic Hormones; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1 7345 347910362 D01831 Buserelin CHEMBL2110824 1825 DB06720 Velaglucerase alfa BE0000978 GBA P04062 GLCM_HUMAN 20336596 "Pastores GM: Velaglucerase alfa, a human recombinant glucocerebrosidase enzyme replacement therapy for type 1 Gaucher disease. Curr Opin Investig Drugs. 2010 Apr;11(4):472-8." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Enzymes and Coenzymes; Hydrolytic Lysosomal Glucocerebroside-specific Enzyme; Alimentary Tract and Metabolism; Enzymes 20635 347910363 D09029 P04062 Velaglucerase_alfa CHEMBL1201865 901805 DB06726 Bufuralol BE0004872 ADRB1 P13945 ADRB3_HUMAN antagonist 37605 "Zimmerman TJ, Boger WP 3rd: The beta-adrenergic blocking agents and the treatment of glaucoma. Surv Ophthalmol. 1979 May-Jun;23(6):347-62." Experimental Benzofurans Organic compounds; Organoheterocyclic compounds; Benzofurans Amino Alcohols; Cytochrome P-450 CYP2D6 Substrates; Amines; Adrenergic beta-Antagonists; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Adrenergic Antagonists; Neurotransmitter Agents; Alcohols; Bradycardia-Causing Agents; Adrenergic Agents CCC1=CC=CC2=C1OC(=C2)C(O)CNC(C)(C)C 99443272 PA166110256 Bufuralol CHEMBL296035 DB06730 Gestodene BE0000557 PGR P06401 PRGR_HUMAN binder 15697108 "Benagiano G, Primiero FM, Farris M: Clinical profile of contraceptive progestins. Eur J Contracept Reprod Health Care. 2004 Sep;9(3):182-93." Investigational Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors; Progestins; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Contraceptive Agents, Hormonal; Cytochrome P-450 CYP3A7 Inhibitors; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Cytochrome P-450 CYP2C19 Inhibitors; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C 99443276 PA165958397 Gestodene CHEMBL1213583 25734 DB06732 beta-Naphthoflavone BE0000123 ESR1 P03372 ESR1_HUMAN 10620335 "Klinge CM, Kaur K, Swanson HI: The aryl hydrocarbon receptor interacts with estrogen receptor alpha and orphan receptors COUP-TFI and ERRalpha1. Arch Biochem Biophys. 2000 Jan 1;373(1):163-74." Experimental Flavones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "Cytochrome P-450 CYP1A2 Inducers (strength unknown); Chromones; Cytochrome P-450 Enzyme Inducers; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Benzoflavones; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Pyrans; Flavonoids" O=C1C=C(OC2=C1C1=CC=CC=C1C=C2)C1=CC=CC=C1 99443278 Beta-Naphthoflavone CHEMBL26260 DB06732 beta-Naphthoflavone BE0003722 ESRRA P11474 ERR1_HUMAN 10620335 "Klinge CM, Kaur K, Swanson HI: The aryl hydrocarbon receptor interacts with estrogen receptor alpha and orphan receptors COUP-TFI and ERRalpha1. Arch Biochem Biophys. 2000 Jan 1;373(1):163-74." Experimental Flavones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "Cytochrome P-450 CYP1A2 Inducers (strength unknown); Chromones; Cytochrome P-450 Enzyme Inducers; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Benzoflavones; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Pyrans; Flavonoids" O=C1C=C(OC2=C1C1=CC=CC=C1C=C2)C1=CC=CC=C1 99443278 Beta-Naphthoflavone CHEMBL26260 DB06732 beta-Naphthoflavone BE0003721 AHR P35869 AHR_HUMAN agonist 10620335; 1658599; 27286660 "Klinge CM, Kaur K, Swanson HI: The aryl hydrocarbon receptor interacts with estrogen receptor alpha and orphan receptors COUP-TFI and ERRalpha1. Arch Biochem Biophys. 2000 Jan 1;373(1):163-74.@@Gasiewicz TA, Rucci G: Alpha-naphthoflavone acts as an antagonist of 2,3,7, 8-tetrachlorodibenzo-p-dioxin by forming an inactive complex with the Ah receptor. Mol Pharmacol. 1991 Nov;40(5):607-12.@@Wei KL, Chen FY, Lin CY, Gao GL, Kao WY, Yeh CH, Chen CR, Huang HC, Tsai WR, Jong KJ, Li WJ, Su JG: Activation of aryl hydrocarbon receptor reduces carbendazim-induced cell death. Toxicol Appl Pharmacol. 2016 Sep 1;306:86-97. doi: 10.1016/j.taap.2016.06.004. Epub 2016 Jun 7." Experimental Flavones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "Cytochrome P-450 CYP1A2 Inducers (strength unknown); Chromones; Cytochrome P-450 Enzyme Inducers; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Benzoflavones; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Pyrans; Flavonoids" O=C1C=C(OC2=C1C1=CC=CC=C1C=C2)C1=CC=CC=C1 99443278 Beta-Naphthoflavone CHEMBL26260 DB06733 Bafilomycin A1 BE0003569 ATP6V1A P38606 VATA_HUMAN inhibitor 12689676 "Takami M, Suda K, Sahara T, Itoh K, Nagai K, Sasaki T, Udagawa N, Takahashi N: Involvement of vacuolar H+ -ATPase in incorporation of risedronate into osteoclasts. Bone. 2003 Apr;32(4):341-9." Experimental Macrolides and analogues Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues "Anti-Infective Agents; Enzyme Inhibitors; Antifungal Agents; Lactones; Polyketides; Proton-Translocating ATPases, antagonists & inhibitors" CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C 347827783 Bafilomycin CHEMBL290814 DB06734 Bafilomycin B1 BE0003569 ATP6V1A P38606 VATA_HUMAN inhibitor 15638326 "Schuhmann T, Grond S: Biosynthetic investigations of the V-type ATPase inhibitors bafilomycin A1, B1 and concanamycin A. J Antibiot (Tokyo). 2004 Oct;57(10):655-61." Experimental Lactones; Polyketides CO[C@H]1\C=C/C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(\C)/C=C(OC)\C(=O)OC1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](OC(=O)\C=C\C(=O)NC2=C(O)CCC2=O)[C@H](C)[C@H](O1)C(C)C 347910364 DB06738 Ketobemidone BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 8878254; 8153059 "Kristensen K, Christensen CB, Christrup LL, Nielsen LC: The mu1 and mu2 opioid receptor binding of ketobemidone, norketobemidone and 3-dimethylamino-1,1-diphenylbutene. Pharmacol Toxicol. 1996 Aug;79(2):103-4.@@Christensen CB: The opioid receptor binding profiles of ketobemidone and morphine. Pharmacol Toxicol. 1993 Dec;73(6):344-5." Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines Sensory System Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Phenylpiperidine opioids; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A4 Substrates; Isonipecotic Acids; Peripheral Nervous System Agents; Analgesics; Piperidines; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Neurotransmitter Agents; Nervous System; Opioids CCC(=O)C1(CCN(C)CC1)C1=CC(O)=CC=C1 Ketobemidone Action Pathway drug_action 175427088 D08100 Ketobemidone CHEMBL47072 DB06738 Ketobemidone BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 8153059 Christensen CB: The opioid receptor binding profiles of ketobemidone and morphine. Pharmacol Toxicol. 1993 Dec;73(6):344-5. Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines Sensory System Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Phenylpiperidine opioids; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A4 Substrates; Isonipecotic Acids; Peripheral Nervous System Agents; Analgesics; Piperidines; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Neurotransmitter Agents; Nervous System; Opioids CCC(=O)C1(CCN(C)CC1)C1=CC(O)=CC=C1 Ketobemidone Action Pathway drug_action 175427088 D08100 Ketobemidone CHEMBL47072 DB06739 Seratrodast BE0000759 TBXA2R P21731 TA2R_HUMAN antagonist 8950952 "Endo S, Akiyama K: [Thromboxane A2 receptor antagonist in asthma therapy]. Nihon Rinsho. 1996 Nov;54(11):3045-8." Experimental Dalbergiones Organic compounds; Phenylpropanoids and polyketides; Neoflavonoids; Dalbergiones "Sensory System Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Hormone Antagonists; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Fatty Acids; Prostaglandin Antagonists; Cytochrome P-450 CYP2C19 Substrates; Quinones; Cytochrome P-450 CYP2A6 Inhibitors; Lipids; Analgesics, Non-Narcotic; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP3A Inducers; Antirheumatic Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" CC1=C(C)C(=O)C(C(CCCCCC(O)=O)C2=CC=CC=C2)=C(C)C1=O 347827787 D01123 Seratrodast CHEMBL70972 DB06751 Drotaverine BE0001133 PDE4A P27815 PDE4A_HUMAN inhibitor 17502703; 12823389; 20554370 "Muravyov AV, Yakusevich VV, Chuchkanov FA, Maimistova AA, Bulaeva SV, Zaitsev LG: Hemorheological efficiency of drugs, targeting on intracellular phosphodiesterase activity: in vitro study. Clin Hemorheol Microcirc. 2007;36(4):327-34.@@Romics I, Molnar DL, Timberg G, Mrklic B, Jelakovic B, Koszegi G, Blasko G: The effect of drotaverine hydrochloride in acute colicky pain caused by renal and ureteric stones. BJU Int. 2003 Jul;92(1):92-6.@@Pareek A, Chandurkar NB, Patil RT, Agrawal SN, Uday RB, Tambe SG: Efficacy and safety of aceclofenac and drotaverine fixed-dose combination in the treatment of primary dysmenorrhoea: a double-blind, double-dummy, randomized comparative study with aceclofenac. Eur J Obstet Gynecol Reprod Biol. 2010 Sep;152(1):86-90. doi: 10.1016/j.ejogrb.2010.05.007. Epub 2010 Jun 15." Approved; Investigational Tetrahydroisoquinolines Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines "Sensory System Agents; Autonomic Agents; Cardiovascular Agents; Alkaloids; Alimentary Tract and Metabolism; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Papaverine and Derivatives; Isoquinolines; Peripheral Nervous System Agents; Analgesics; Parasympatholytics; Phosphodiesterase Inhibitors; Benzylisoquinolines; Phosphodiesterase 4 Inhibitors; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Opiate Alkaloids" CCOC1=C(OCC)C=C(\C=C2/NCCC3=CC(OCC)=C(OCC)C=C23)C=C1 99443287 PA165958398 Drotaverine CHEMBL551978 23684 DB06751 Drotaverine BE0008715 CACNA1C O00555 CAC1A_HUMAN inhibitor 12163106; 12823389; 27738091 "Tomoskozi Z, Finance O, Aranyi P: Drotaverine interacts with the L-type Ca(2+) channel in pregnant rat uterine membranes. Eur J Pharmacol. 2002 Aug 2;449(1-2):55-60.@@Romics I, Molnar DL, Timberg G, Mrklic B, Jelakovic B, Koszegi G, Blasko G: The effect of drotaverine hydrochloride in acute colicky pain caused by renal and ureteric stones. BJU Int. 2003 Jul;92(1):92-6.@@Patai Z, Guttman A, Mikus EG: Potential L-Type Voltage-Operated Calcium Channel Blocking Effect of Drotaverine on Functional Models. J Pharmacol Exp Ther. 2016 Dec;359(3):442-451. doi: 10.1124/jpet.116.237271. Epub 2016 Oct 13." Approved; Investigational Tetrahydroisoquinolines Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines "Sensory System Agents; Autonomic Agents; Cardiovascular Agents; Alkaloids; Alimentary Tract and Metabolism; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Papaverine and Derivatives; Isoquinolines; Peripheral Nervous System Agents; Analgesics; Parasympatholytics; Phosphodiesterase Inhibitors; Benzylisoquinolines; Phosphodiesterase 4 Inhibitors; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Opiate Alkaloids" CCOC1=C(OCC)C=C(\C=C2/NCCC3=CC(OCC)=C(OCC)C=C23)C=C1 99443287 PA165958398 Drotaverine CHEMBL551978 23684 DB06757 Manganese BE0000011 IDH3A P50213 IDH3A_HUMAN 16737955 "Soundar S, O'hagan M, Fomulu KS, Colman RF: Identification of Mn2+-binding aspartates from alpha, beta, and gamma subunits of human NAD-dependent isocitrate dehydrogenase. J Biol Chem. 2006 Jul 28;281(30):21073-81. Epub 2006 May 31." Approved; Nutraceutical Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Metals, Heavy; Electrolytes; Minerals; Magnetic Resonance Contrast Activity; Elements; Anions; Metals; Ions; Replacement Preparations; Diet, Food, and Nutrition; Paramagnetic Contrast Agent; Transition Elements; Food; Sulfur Acids; Micronutrients; Physiological Phenomena; Chlorine Compounds; Sulfur Compounds; Sulfuric Acids; Trace Elements" [Mn++] 2084 310264880 D04854 Manganese CHEMBL2103742 6623 DB06757 Manganese BE0000771 IDH3G P51553 IDH3G_HUMAN 16737955 "Soundar S, O'hagan M, Fomulu KS, Colman RF: Identification of Mn2+-binding aspartates from alpha, beta, and gamma subunits of human NAD-dependent isocitrate dehydrogenase. J Biol Chem. 2006 Jul 28;281(30):21073-81. Epub 2006 May 31." Approved; Nutraceutical Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Metals, Heavy; Electrolytes; Minerals; Magnetic Resonance Contrast Activity; Elements; Anions; Metals; Ions; Replacement Preparations; Diet, Food, and Nutrition; Paramagnetic Contrast Agent; Transition Elements; Food; Sulfur Acids; Micronutrients; Physiological Phenomena; Chlorine Compounds; Sulfur Compounds; Sulfuric Acids; Trace Elements" [Mn++] 2084 310264880 D04854 Manganese CHEMBL2103742 6623 DB06757 Manganese BE0005824 TAB1 Q15750 TAB1_HUMAN 16879102 "Conner SH, Kular G, Peggie M, Shepherd S, Schuttelkopf AW, Cohen P, Van Aalten DM: TAK1-binding protein 1 is a pseudophosphatase. Biochem J. 2006 Nov 1;399(3):427-34." Approved; Nutraceutical Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Metals, Heavy; Electrolytes; Minerals; Magnetic Resonance Contrast Activity; Elements; Anions; Metals; Ions; Replacement Preparations; Diet, Food, and Nutrition; Paramagnetic Contrast Agent; Transition Elements; Food; Sulfur Acids; Micronutrients; Physiological Phenomena; Chlorine Compounds; Sulfur Compounds; Sulfuric Acids; Trace Elements" [Mn++] 2084 310264880 D04854 Manganese CHEMBL2103742 6623 DB06757 Manganese BE0000286 ARG1 P05089 ARGI1_HUMAN 18802628 "Zakharian TY, Di Costanzo L, Christianson DW: Synthesis of (2S)-2-amino-7,8-epoxyoctanoic acid and structure of its metal-bridging complex with human arginase I. Org Biomol Chem. 2008 Sep 21;6(18):3240-3. doi: 10.1039/b811797g. Epub 2008 Aug 6." Approved; Nutraceutical Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Metals, Heavy; Electrolytes; Minerals; Magnetic Resonance Contrast Activity; Elements; Anions; Metals; Ions; Replacement Preparations; Diet, Food, and Nutrition; Paramagnetic Contrast Agent; Transition Elements; Food; Sulfur Acids; Micronutrients; Physiological Phenomena; Chlorine Compounds; Sulfur Compounds; Sulfuric Acids; Trace Elements" [Mn++] 2084 310264880 D04854 Manganese CHEMBL2103742 6623 DB06764 Tetryzoline BE0004863 ADRA1A P25100 ADA1D_HUMAN agonist 18259967; 32801982 "Spiller H, Griffith J: Prolonged cardiovascular effects after unintentional ingestion of tetrahydrozoline. Clin Toxicol (Phila). 2008 Feb;46(2):171-2. doi: 10.1080/15563650701258070.@@Hosten LO, Snyder C: Over-the-Counter Ocular Decongestants in the United States - Mechanisms of Action and Clinical Utility for Management of Ocular Redness. Clin Optom (Auckl). 2020 Jul 23;12:95-105. doi: 10.2147/OPTO.S259398. eCollection 2020." Approved Tetralins Organic compounds; Benzenoids; Tetralins "Adrenergic alpha-Agonists; Nasal Decongestants; Agents producing tachycardia; Autonomic Agents; Sympathomimetics Used as Decongestants; Cardiovascular Agents; Vasoconstrictor Agents; Pharmaceutical Solutions; Nasal Preparations; Adrenergic Agonists; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Compounds used in a research, industrial, or household setting; Solutions; Pharmaceutical Preparations; Ophthalmologicals; Decongestants and Antiallergics; Sympathomimetics, Plain; Sympathomimetics; Ophthalmic Solutions; Sensory Organs" C1CN=C(N1)C1CCCC2=CC=CC=C12 6057 310264881 D08578 Tetryzoline CHEMBL1266 37935 DB06766 Alcaftadine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 22035879 "Simons FE, Simons KJ: Histamine and H1-antihistamines: celebrating a century of progress. J Allergy Clin Immunol. 2011 Dec;128(6):1139-1150.e4. doi: 10.1016/j.jaci.2011.09.005. Epub 2011 Oct 27." Approved Benzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines "Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Ophthalmologicals; Decongestants and Antiallergics; QTc Prolonging Agents; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Histamine Agents; Drugs that are Mainly Renally Excreted; Sensory Organs" CN1CCC(CC1)=C1C2=NC=C(C=O)N2CCC2=CC=CC=C12 Alcaftadine H1-Antihistamine Action drug_action 99443288 D06552 PA165958399 Alcaftadine CHEMBL1201747 1000082 DB06772 Cabazitaxel BE0000026 TUBB1 Q9H4B7 TBB1_HUMAN inhibitor 23091336; 28567478; 32474655 "Nightingale G, Ryu J: Cabazitaxel (jevtana): a novel agent for metastatic castration-resistant prostate cancer. P T. 2012 Aug;37(8):440-8.@@Smiyun G, Azarenko O, Miller H, Rifkind A, LaPointe NE, Wilson L, Jordan MA: betaIII-tubulin enhances efficacy of cabazitaxel as compared with docetaxel. Cancer Chemother Pharmacol. 2017 Jul;80(1):151-164. doi: 10.1007/s00280-017-3345-2. Epub 2017 May 31.@@Zhu L, Zhang C, Lu X, Song C, Wang C, Zhang M, Xie Y, Schaefer HF 3rd: Binding modes of cabazitaxel with the different human beta-tubulin isotypes: DFT and MD studies. J Mol Model. 2020 May 30;26(6):162. doi: 10.1007/s00894-020-04400-w." Approved Taxanes and derivatives Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Terpenes; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Diterpenes; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs; Microtubule Inhibitors [H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C4=CC=CC=C4)C(C)=C([C@@H](OC)C(=O)[C@]1(C)[C@H](C[C@H]1OC[C@@]21OC(C)=O)OC)C3(C)C 20792 99443289 D09755 PA165958401 Cabazitaxel CHEMBL1201748 996051 DB06775 Carglumic acid BE0004671 CPS1 P31327 CPSM_HUMAN allosteric modulator 18516804; 19106093; 21207059 "Authors unspecified: Carglumic acid: a second look. Confirmed progress in a rare urea cycle disorder. Prescrire Int. 2008 Apr;17(94):50-1.@@Hart EJ, Powers-Lee SG: Role of Cys-1327 and Cys-1337 in redox sensitivity and allosteric monitoring in human carbamoyl phosphate synthetase. J Biol Chem. 2009 Feb 27;284(9):5977-85. doi: 10.1074/jbc.M808702200. Epub 2008 Dec 23.@@Kasapkara CS, Ezgu FS, Okur I, Tumer L, Biberoglu G, Hasanoglu A: N-carbamylglutamate treatment for acute neonatal hyperammonemia in isovaleric acidemia. Eur J Pediatr. 2011 Jun;170(6):799-801. doi: 10.1007/s00431-010-1362-9. Epub 2011 Jan 5." Approved Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Ammonia Detoxicants; Carbamoyl Phosphate Synthetase 1 Activators; Amino Acids and Derivatives; Amino Acids, Acidic; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism; Carbamoyl Phosphate Synthetase 1 Activator; Amino Acids, Dicarboxylic" NC(=O)N[C@@H](CCC(O)=O)C(O)=O 22593 99443290 D07130 PA165958402 Carglumic_acid CHEMBL1201780 401713 DB06777 Chenodeoxycholic acid BE0001777 NR1H4 Q96RI1 NR1H4_HUMAN other 10334992; 20104269 "Makishima M, Okamoto AY, Repa JJ, Tu H, Learned RM, Luk A, Hull MV, Lustig KD, Mangelsdorf DJ, Shan B: Identification of a nuclear receptor for bile acids. Science. 1999 May 21;284(5418):1362-5.@@Xu Y, Watanabe T, Tanigawa T, Machida H, Okazaki H, Yamagami H, Watanabe K, Tominaga K, Fujiwara Y, Oshitani N, Arakawa T: Bile acids induce cdx2 expression through the farnesoid x receptor in gastric epithelial cells. J Clin Biochem Nutr. 2010 Jan;46(1):81-6. doi: 10.3164/jcbn.09-71. Epub 2009 Dec 29." Approved "Dihydroxy bile acids, alcohols and derivatives" "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" Fused-Ring Compounds; Steroids; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; UGT2B7 Inhibitors; Bile Acids and Salts; Bile acids and derivatives; Bile Acid Preparations; Cholic Acids; Cytochrome P-450 CYP3A Substrates; Cholanes; Bile Therapy; Gastrointestinal Agents; Bile and Liver Therapy; Alimentary Tract and Metabolism [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX) disease; metabolic 99443291 D00163 PA165958403 Chenodeoxycholic_acid CHEMBL240597 2323 DB06777 Chenodeoxycholic acid BE0000622 AKR1C2 P52895 AK1C2_HUMAN substrate 8486699 "Stolz A, Hammond L, Lou H, Takikawa H, Ronk M, Shively JE: cDNA cloning and expression of the human hepatic bile acid-binding protein. A member of the monomeric reductase gene family. J Biol Chem. 1993 May 15;268(14):10448-57." Approved "Dihydroxy bile acids, alcohols and derivatives" "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" Fused-Ring Compounds; Steroids; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; UGT2B7 Inhibitors; Bile Acids and Salts; Bile acids and derivatives; Bile Acid Preparations; Cholic Acids; Cytochrome P-450 CYP3A Substrates; Cholanes; Bile Therapy; Gastrointestinal Agents; Bile and Liver Therapy; Alimentary Tract and Metabolism [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX) disease; metabolic 99443291 D00163 PA165958403 Chenodeoxycholic_acid CHEMBL240597 2323 DB06779 Dalteparin BE0001159 SELP P16109 LYAM3_HUMAN inhibitor 11044537 "Rey E, Rivard GE: Prophylaxis and treatment of thromboembolic diseases during pregnancy with dalteparin. Int J Gynaecol Obstet. 2000 Oct;71(1):19-24." Approved Heparin (Low Molecular Weight); Cardiovascular Agents; Glycosaminoglycans; Agents causing hyperkalemia; Blood and Blood Forming Organs; Carbohydrates; Heparin and similars; Anticoagulants; Hematologic Agents; Polysaccharides; Fibrin Modulating Agents 269 347910371 D03353 Dalteparin_sodium 67109 DB06780 Desoxycorticosterone acetate BE0000668 NR3C2 P08235 MCR_HUMAN agonist 17132855 "Lu NZ, Wardell SE, Burnstein KL, Defranco D, Fuller PJ, Giguere V, Hochberg RB, McKay L, Renoir JM, Weigel NL, Wilson EM, McDonnell DP, Cidlowski JA: International Union of Pharmacology. LXV. The pharmacology and classification of the nuclear receptor superfamily: glucocorticoid, mineralocorticoid, progesterone, and androgen receptors. Pharmacol Rev. 2006 Dec;58(4):782-97. doi: 10.1124/pr.58.4.9." Approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Fused-Ring Compounds; Pregnenes; Corticosteroids; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Pregnenediones; Desoxycorticosterone; Mineralocorticoids; Cytochrome P-450 CYP3A Substrates; Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Substrates; Steroids; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](C(=O)COC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C D03698 Desoxycorticosterone_acetate CHEMBL1200542 258333 DB06781 Difluprednate BE0000794 NR3C1 P04150 GCR_HUMAN agonist 19668594; 20509750 "Jamal KN, Callanan DG: The role of difluprednate ophthalmic emulsion in clinical practice. Clin Ophthalmol. 2009;3:381-90. Epub 2009 Jun 29.@@Tajika T, Takahashi H, Sakai Y, Fujii H, Isowaki A, Sakaki H: Metabolic profiles of difluprednate in rabbit ocular tissues after instillation of difluprednate ophthalmic emulsion. Xenobiotica. 2010 Aug;40(8):569-77. doi: 10.3109/00498254.2010.490308." Approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Fused-Ring Compounds; Steroids, Fluorinated; Immunosuppressive Agents; Corticosteroids; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Corticosteroids, Potent (Group III); Pregnadienes; Cytochrome P-450 CYP3A4 Substrates; Steroids; Pregnadienetriols; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C 22159 99443292 D01266 PA165958405 Difluprednate CHEMBL1201749 23043 DB06782 Dimercaprol BE0003392 APP P05067 A4_HUMAN 15681799 "Venti A, Giordano T, Eder P, Bush AI, Lahiri DK, Greig NH, Rogers JT: The integrated role of desferrioxamine and phenserine targeted to an iron-responsive element in the APP-mRNA 5'-untranslated region. Ann N Y Acad Sci. 2004 Dec;1035:34-48." Approved Alkylthiols Organic compounds; Organosulfur compounds; Thiols; Alkylthiols "Antidotes; Chelating Agents; Metal Chelator; Sequestering Agents; Sulfur Compounds; Drugs that are Mainly Renally Excreted; Metal Chelating Activity; Heavy Metal Antagonists; Sulfhydryl Compounds; Compounds used in a research, industrial, or household setting" OCC(S)CS 5643 99443293 D00167 PA165958406 Dimercaprol CHEMBL1597 3445 DB06785 Ganirelix BE0000203 GNRHR P30968 GNRHR_HUMAN antagonist 10655292 "Oberye J, Mannaerts B, Huisman J, Timmer C: Local tolerance, pharmacokinetics, and dynamics of ganirelix (Orgalutran) administration by Medi-Jector compared to conventional needle injections. Hum Reprod. 2000 Feb;15(2):245-9." Approved Polypeptides Organic compounds; Organic Polymers; Polypeptides "Anti-Gonadotropin-Releasing Hormones; Pituitary Hormone-Releasing Hormones; Gonadotropin-releasing Hormone Antagonists; Hormone Antagonists; Amino Acids, Peptides, and Proteins; Decreased GnRH Secretion; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Gonadotropin-Releasing Hormone, antagonists & inhibitors; Gonadotropin Releasing Hormone Receptor Antagonists; Nerve Tissue Proteins; Proteins; Hormones; Oligopeptides; Neuropeptides; Peptides; Peptide Hormones; Hypothalamic Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" CCNC(NCC)=NCCCC[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O 12713 310264884 D08010 Ganirelix CHEMBL1251 35825 DB06786 Halcinonide BE0004659 SMO Q99835 SMO_HUMAN agonist 26658258 "Porcu G, Serone E, De Nardis V, Di Giandomenico D, Lucisano G, Scardapane M, Poma A, Ragnini-Wilson A: Clobetasol and Halcinonide Act as Smoothened Agonists to Promote Myelin Gene Expression and RxRgamma Receptor Activation. PLoS One. 2015 Dec 10;10(12):e0144550. doi: 10.1371/journal.pone.0144550. eCollection 2015." Approved; Investigational; Withdrawn "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Fused-Ring Compounds; Immunosuppressive Agents; Corticosteroids; Pregnenes; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Anti-Inflammatory Agents; Pregnenediones; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Corticosteroids, Very Potent (Group IV); Corticosteroid Hormone Receptor Agonists; Dermatologicals; Cytochrome P-450 CYP3A4 Substrates; Steroids; Pregnanes" [H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7506 347827796 D01308 Halcinonide CHEMBL1200845 5084 DB06787 Hexocyclium BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 8075869 "Waelbroeck M, Camus J, Tastenoy M, Feifel R, Mutschler E, Tacke R, Strohmann C, Rafeiner K, Rodrigues de Miranda JF, Lambrecht G: Binding and functional properties of hexocyclium and sila-hexocyclium derivatives to muscarinic receptor subtypes. Br J Pharmacol. 1994 Jun;112(2):505-14." Approved Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Anticholinergic Agents; Muscarinic Antagonists; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Drugs for Functional Gastrointestinal Disorders; Agents producing tachycardia; Alimentary Tract and Metabolism" C[N+]1(C)CCN(CC(O)(C2CCCCC2)C2=CC=CC=C2)CC1 310264885 Hexocyclium CHEMBL1201325 26867 DB06787 Hexocyclium BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 8075869 "Waelbroeck M, Camus J, Tastenoy M, Feifel R, Mutschler E, Tacke R, Strohmann C, Rafeiner K, Rodrigues de Miranda JF, Lambrecht G: Binding and functional properties of hexocyclium and sila-hexocyclium derivatives to muscarinic receptor subtypes. Br J Pharmacol. 1994 Jun;112(2):505-14." Approved Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Anticholinergic Agents; Muscarinic Antagonists; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Drugs for Functional Gastrointestinal Disorders; Agents producing tachycardia; Alimentary Tract and Metabolism" C[N+]1(C)CCN(CC(O)(C2CCCCC2)C2=CC=CC=C2)CC1 310264885 Hexocyclium CHEMBL1201325 26867 DB06788 Histrelin BE0000203 GNRHR P30968 GNRHR_HUMAN agonist Approved; Withdrawn Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Gonadotropin-releasing hormone agonist; QTc Prolonging Agents; Hyperglycemia-Associated Agents; Gonadotropin Releasing Hormone Receptor Agonist; Amino Acids, Peptides, and Proteins; Nerve Tissue Proteins; Proteins; Hormones; Potential QTc-Prolonging Agents; Adrenal Cortex Hormones; Oligopeptides; Gonadotropin Releasing Hormone Receptor Agonists; Neuropeptides; Peptides; Antineoplastic and Immunomodulating Agents; Peptide Hormones; Endocrine Therapy; Hormones and Related Agents; Hypothalamic Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" CC(O)=O.CC(O)=O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CN(CC2=CC=CC=C2)C=N1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1 18561 347827797 D02369 Histrelin CHEMBL1201255 50975 DB06789 Hydroxyprogesterone caproate BE0000557 PGR P06401 PRGR_HUMAN agonist 26558340 "O'Brien JM, Lewis DF: Prevention of preterm birth with vaginal progesterone or 17-alpha-hydroxyprogesterone caproate: a critical examination of efficacy and safety. Am J Obstet Gynecol. 2016 Jan;214(1):45-56. doi: 10.1016/j.ajog.2015.10.934. Epub 2015 Nov 10." Approved; Investigational "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Progesterone Congeners; Pregnenes; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Hormone Antagonists; Progestins; Cytochrome P-450 Enzyme Inducers; Hydroxyprogesterones; Progesterone and Derivatives; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Steroids; Estrogen Antagonists; Antineoplastic Agents; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inducers; Gonadal Steroid Hormones; Pregnenediones; Combination Contraceptives (with Estrogen and derivatives); Contraceptive Agents, Female; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](OC(=O)CCCCC)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 310264886 D00949 Hydroxyprogesterone_caproate CHEMBL1200848 12488 DB06795 Mafenide BE0003628 CA6 P23280 CAH6_HUMAN antagonist 22974493 "Demirdag R, Comakli V, Senturk M, Ekinci D, Irfan Kufrevioglu O, Supuran CT: Purification and characterization of carbonic anhydrase from sheep kidney and effects of sulfonamides on enzyme activity. Bioorg Med Chem. 2013 Mar 15;21(6):1522-5. doi: 10.1016/j.bmc.2012.08.018. Epub 2012 Aug 24." Approved; Vet_approved; Withdrawn Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides "Anti-Infective Agents; Sulfones; Enzyme Inhibitors; Sulfonamides; Benzenesulfonamides; Anti-Bacterial Agents; Folic Acid Antagonists; Benzene Derivatives; Amides; Dermatologicals; Anti-Infective Agents, Local; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Methemoglobinemia Associated Agents; Sulfonamide Antibacterial" NCC1=CC=C(C=C1)S(N)(=O)=O 11904 310264891 D02351 Mafenide CHEMBL419 6572 DB06800 Methylnaltrexone BE0000770 OPRM1 P35372 OPRM_HUMAN antagonist 17504835 Yuan CS: Methylnaltrexone mechanisms of action and effects on opioid bowel dysfunction and other opioid adverse effects. Ann Pharmacother. 2007 Jun;41(6):984-93. Epub 2007 May 15. Approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Nitrogen Compounds; Sensory System Agents; Amines; Opioid Antagonists; Alkaloids; Miscellaneous GI Drugs; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Heterocyclic Compounds, Fused-Ring; Onium Compounds; Peripheral Opioid Receptor Antagonists; Peripheral Nervous System Agents; Phenanthrenes; Morphinans; Central Nervous System Agents; Ammonium Compounds; Opiate Alkaloids; Opioids; Drugs for Constipation" C[N@+]1(CC2CC2)CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@]2(O)CCC4=O)=C35 20208 175427092 D06618 Methylnaltrexone CHEMBL1186579 29899 DB06813 Pralatrexate BE0000330 DHFR P00374 DYR_HUMAN substrate 23409799 "Shimanovsky A, Dasanu CA: Pralatrexate : evaluation of clinical efficacy and toxicity in T-cell lymphoma. Expert Opin Pharmacother. 2013 Mar;14(4):515-23. doi: 10.1517/14656566.2013.770474. Epub 2013 Feb 14." Approved; Investigational Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "BCRP/ABCG2 Substrates; Immunosuppressive Agents; Pteridines; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Folic Acid Analogues; OATP1B3 substrates; Antimetabolites; Folic Acid Antagonists; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Pterins; Antineoplastic Agents" NC1=NC2=NC=C(CC(CC#C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N=C2C(N)=N1 23006 175427094 D05589 Pralatrexate CHEMBL1201746 662019 DB06813 Pralatrexate BE0000700 FPGS Q05932 FOLC_HUMAN substrate Approved; Investigational Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "BCRP/ABCG2 Substrates; Immunosuppressive Agents; Pteridines; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Folic Acid Analogues; OATP1B3 substrates; Antimetabolites; Folic Acid Antagonists; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Pterins; Antineoplastic Agents" NC1=NC2=NC=C(CC(CC#C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N=C2C(N)=N1 23006 175427094 D05589 Pralatrexate CHEMBL1201746 662019 DB06819 Phenylbutyric acid BE0008667 HDAC1 Q9UKV0 HDAC9_HUMAN inhibitor 16391874; 12678732; 16000590; 24891937; 30562925 "Kouraklis G, Theocharis S: Histone deacetylase inhibitors: a novel target of anticancer therapy (review). Oncol Rep. 2006 Feb;15(2):489-94.@@Kouraklis G, Theocharis S: Histone deacetylase inhibitors and anticancer therapy. Curr Med Chem Anticancer Agents. 2002 Jul;2(4):477-84. doi: 10.2174/1568011023353921.@@Munshi A, Kurland JF, Nishikawa T, Tanaka T, Hobbs ML, Tucker SL, Ismail S, Stevens C, Meyn RE: Histone deacetylase inhibitors radiosensitize human melanoma cells by suppressing DNA repair activity. Clin Cancer Res. 2005 Jul 1;11(13):4912-22. doi: 10.1158/1078-0432.CCR-04-2088.@@Ladiges W: The quality control theory of aging. Pathobiol Aging Age Relat Dis. 2014 May 23;4. pii: 24835. doi: 10.3402/pba.v4.24835. eCollection 2014.@@Chang MC, Chen YJ, Lian YC, Chang BE, Huang CC, Huang WL, Pan YH, Jeng JH: Butyrate Stimulates Histone H3 Acetylation, 8-Isoprostane Production, RANKL Expression, and Regulated Osteoprotegerin Expression/Secretion in MG-63 Osteoblastic Cells. Int J Mol Sci. 2018 Dec 17;19(12). pii: ijms19124071. doi: 10.3390/ijms19124071." Approved; Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Urea Cycle Disorder Agents; Cytochrome P-450 CYP2D6 Inhibitors; Nitrogen Binding Agent; Acids, Carbocyclic; Cytochrome P-450 Enzyme Inhibitors; Ammonium Ion Binding Activity; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Various Alimentary Tract and Metabolism Products; Alimentary Tract and Metabolism; Antineoplastic Agents" OC(=O)CCCC1=CC=CC=C1 22565 310264895 D05868 Sodium_phenylbutyrate CHEMBL1469 1546447 DB06822 Tinzaparin BE0000590 ITGA4 P13612 ITA4_HUMAN inhibitor 19888514 "Schlesinger M, Simonis D, Schmitz P, Fritzsche J, Bendas G: Binding between heparin and the integrin VLA-4. Thromb Haemost. 2009 Nov;102(5):816-22. doi: 10.1160/TH09-01-0061." Approved Heparin (Low Molecular Weight); Cardiovascular Agents; Glycosaminoglycans; Agents causing hyperkalemia; Blood and Blood Forming Organs; Carbohydrates; Heparin and similars; Anticoagulants; Hematologic Agents; Polysaccharides; Fibrin Modulating Agents 619 347910373 D06398 Tinzaparin_sodium 104466 DB06825 Triptorelin BE0000203 GNRHR P30968 GNRHR_HUMAN agonist Approved; Vet_approved Polypeptides Organic compounds; Organic Polymers; Polypeptides "Pituitary Hormone-Releasing Hormones; Gonadotropin-releasing hormone agonist; QTc Prolonging Agents; Hyperglycemia-Associated Agents; Gonadotropin Releasing Hormone Receptor Agonist; Amino Acids, Peptides, and Proteins; Luteolytic Agents; Nerve Tissue Proteins; Proteins; Antineoplastic Agents; Hormones; Potential QTc-Prolonging Agents; Adrenal Cortex Hormones; Oligopeptides; Gonadotropin Releasing Hormone Receptor Agonists; Neuropeptides; Peptides; Contraceptive Agents, Hormonal; Antineoplastic and Immunomodulating Agents; Peptide Hormones; Endocrine Therapy; Hormones and Related Agents; Hypothalamic Hormones; Antineoplastic Agents, Hormonal; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" CC(C)C[C@H](NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O 21395 310264898 D06247 Triptorelin CHEMBL1201334 38782 DB06828 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole BE0001680 LTA4H P09960 LKHA4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles C(CN1C=CC=C1)OC1=CC2=C(NC=C2)C=C1 99443299 DB06829 4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thiophene carboxylic acids Organic compounds; Organoheterocyclic compounds; Thiophenes; Thiophene carboxylic acids and derivatives OC(=O)COC1=C(SC(=C1Br)C1=CC=CC(NC2CCCCC2)=C1)C(O)=O 99443300 CHEMBL243940 DB06831 2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE BE0001315 PIK3CG P48736 PK3CG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines COC1=CC=CC=C1N1C(=O)C2=C(Cl)C=CC=C2N=C1CSC1=C2N=CNC2=NC=N1 99443302 CHEMBL1213083 DB06831 2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE BE0002406 PIK3CD O00329 PK3CD_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines COC1=CC=CC=C1N1C(=O)C2=C(Cl)C=CC=C2N=C1CSC1=C2N=CNC2=NC=N1 99443302 CHEMBL1213083 DB06832 Prinaberel BE0000792 ESR2 Q92731 ESR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational "Phenyl-1,3-oxazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles "Receptors, Estrogen, agonists" OC1=CC2=C(OC(=N2)C2=CC=C(O)C(F)=C2)C(C=C)=C1 99443303 Prinaberel CHEMBL450940 DB06832 Prinaberel BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational "Phenyl-1,3-oxazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles "Receptors, Estrogen, agonists" OC1=CC2=C(OC(=N2)C2=CC=C(O)C(F)=C2)C(C=C)=C1 99443303 Prinaberel CHEMBL450940 DB06833 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE BE0003722 ESRRA P11474 ERR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrroles Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles CC1=CC=C(C=C1)N1C=C(CNCC2CCCCC2)C2=CC=CC=C12 99443304 CHEMBL478524 DB06834 "N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide" BE0001316 SYK P43405 KSYK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolecarboxamides and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives CN1C=C(C2=CC3=CC=CN=C3N2)C2=CC(=CC=C12)C(=O)NC(C)(C)CO 99443305 CHEMBL1229525 DB06835 (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID BE0003257 CPB1 P15086 CBPB1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylmethylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines [H][C@@](C[P@@](O)(=O)[C@@]([H])(NS(=O)(=O)CCC1=CC=CC=C1)C(C)C)(C(O)=O)C1=CC=CC(CN)=C1 99443306 DB06836 "N-(5-{4-Chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2-yl)acetamide" BE0001315 PIK3CG P48736 PK3CG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides [H]N(CCO)S(=O)(=O)C1=C(Cl)C=CC(=C1)C1=C(C)N=C(S1)N([H])C(C)=O 99443307 CHEMBL1229535 DB06836 "N-(5-{4-Chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2-yl)acetamide" BE0003729 PIK3C3 Q8NEB9 PK3C3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides [H]N(CCO)S(=O)(=O)C1=C(Cl)C=CC(=C1)C1=C(C)N=C(S1)N([H])C(C)=O 99443307 CHEMBL1229535 DB06842 (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one BE0001133 PDE4A P27815 PDE4A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles [H][C@@]1(CC2=CC(OCCCC)=C(OC)C=C2)CNC(=O)N1 99443313 CHEMBL1229585 DB06842 (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one BE0001287 PDE4D Q08499 PDE4D_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles [H][C@@]1(CC2=CC(OCCCC)=C(OC)C=C2)CNC(=O)N1 99443313 CHEMBL1229585 DB06843 "2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE" BE0003731 GNAS P63092 GNAS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Ribonucleoside 3'-phosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates" [H][C@]1(C)O[C@]([H])(C[C@]1([H])OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 99443314 DB06843 "2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE" BE0003732 ADCY2 Q08462 ADCY2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Ribonucleoside 3'-phosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates" [H][C@]1(C)O[C@]([H])(C[C@]1([H])OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 99443314 DB06843 "2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE" BE0003733 ADCY5 O95622 ADCY5_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Ribonucleoside 3'-phosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates" [H][C@]1(C)O[C@]([H])(C[C@]1([H])OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 99443314 DB06844 "4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminobenzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides O=C1N=C2C=CC3=C(SC=N3)C2=C1CNC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1 99443315 DB06844 "4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminobenzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides O=C1N=C2C=CC3=C(SC=N3)C2=C1CNC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1 99443315 DB06851 N-(pyridin-3-ylmethyl)aniline BE0001680 LTA4H P09960 LKHA4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylalkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines C(NC1=CC=CC=C1)C1=CC=CN=C1 99443322 CHEMBL264669 DB06852 CHIR-124 BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydroquinolones Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives "Heterocyclic Compounds, Fused-Ring" ClC1=CC2=C(NC(=O)C(C3=NC4=CC=CC=C4N3)=C2N[C@@H]2CN3CCC2CC3)C=C1 99443323 CHEMBL377312 DB06862 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID BE0001162 CASP3 P42574 CASP3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides OC(=O)C1=C(O)C=CC(=C1)S(=O)(=O)NCCS 99443333 DB06870 Tetrahydrogestrinone BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Fused-Ring Compounds; Norpregnanes; Norsteroids; Androgens; Norpregnatrienes; Anabolic Agents; Steroids; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(CC)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 99443341 Tetrahydrogestrinone DB06871 17-METHYL-17-ALPHA-DIHYDROEQUILENIN BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids [H][C@@]12CC[C@@](C)(O)[C@@]1(C)CCC1=C2C=CC2=CC(O)=CC=C12 99443342 DB06871 17-METHYL-17-ALPHA-DIHYDROEQUILENIN BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids [H][C@@]12CC[C@@](C)(O)[C@@]1(C)CCC1=C2C=CC2=CC(O)=CC=C12 99443342 DB06875 ERB-196 BE0000792 ESR2 Q92731 ESR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylnaphthalenes Organic compounds; Benzenoids; Naphthalenes; Phenylnaphthalenes "Estrogen Receptor beta, agonists; Naphthalenes" OC1=CC=C2C=C(C=C(C#N)C2=C1)C1=CC=C(O)C(F)=C1 99443346 ERB-196 CHEMBL192154 DB06875 ERB-196 BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylnaphthalenes Organic compounds; Benzenoids; Naphthalenes; Phenylnaphthalenes "Estrogen Receptor beta, agonists; Naphthalenes" OC1=CC=C2C=C(C=C(C#N)C2=C1)C1=CC=C(O)C(F)=C1 99443346 ERB-196 CHEMBL192154 DB06876 "N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines CN1CCN(CC1)C1=CC=C(C=C1)C1=CC2=C(NC=C2NC(=O)C2=CN=CC=C2)N=C1 99443347 DB06877 "N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE" BE0000923 MAPK1 P28482 MK01_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CN(C)C(=O)C1=CC(=CN1)C1=NNC=C1C1=CC=CC=C1 99443348 CHEMBL219841 DB06879 "5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE" BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines CCN1C2=C(F)C=CC(F)=C2C(N)=NC11CCN(CC1)C(=O)C1=CN=C(CC1)C#N 99443350 DB06882 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CC(C)(C)C1=NN(C(NC(=O)NC2=C3C=CC=CC3=CC=C2)=C1)C1=CC=CC(N)=C1 99443353 CHEMBL522387 DB06882 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CC(C)(C)C1=NN(C(NC(=O)NC2=C3C=CC=CC3=CC=C2)=C1)C1=CC=CC(N)=C1 99443353 CHEMBL522387 DB06883 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CC(C)(C)C1=NN(C(NC(=O)NC2=CC=CC=C2)=C1)C1=CC=CC(N)=C1 99443354 CHEMBL87580 DB06884 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE BE0002088 ESRRG P62508 ERR3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids CC(C)C1=CC=C(CNNC(=O)C2=CC=C(O)C=C2)C=C1 99443355 DB06884 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE BE0003742 NRIP1 P48552 NRIP1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids CC(C)C1=CC=C(CNNC(=O)C2=CC=C(O)C=C2)C=C1 99443355 DB06887 "[(3S)-3-(Methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfamic acid" BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CNC(=O)[C@@H]1CC2=CC=C(NS(O)(=O)=O)C=C2CN1C(=O)OC(C)(C)C 99443358 CHEMBL203517 DB06888 "(13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinoxalines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines [H][C@]12CN(CCN3NC4=C(C=CC=C4C3=O)C3=NC4=C(NC3=O)C=CC=C4O1)[C@]([H])(C)C2 99443359 DB06891 "5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE" BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminobenzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NC1=C(F)C=C(C=C1Cl)S(=O)(=O)NC1=NN=C(S1)S(N)(=O)=O 99443362 CHEMBL71611 DB06892 "(5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide" BE0000870 MAP2K1 Q02750 MP2K1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Iodobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes [H][C@@]1(F)C(F)=CC=C(C(=O)NOCCO)\C1=N\C1=C(F)C=C(I)C=C1 99443363 DB06894 1-Dodecanol BE0002194 FAAH O00519 FAAH1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty alcohols Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty alcohols Lipids; Alcohols; Fatty Alcohols CCCCCCCCCCCCO 99443365 CHEMBL24722 1362875 DB06896 "1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide" BE0000915 MET P08581 MET_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides FC1=CC=C(C=C1)N1C=CC=C(C(=O)NC2=CC=C(OC3=CC=NC4=C3C=CN4)C(F)=C2)C1=O 99443367 CHEMBL509101 DB06898 "4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol" BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines CN1C(N)=NC2=C1C=C(C=N2)C1=CC=C(O)C=C1 99443369 DB06898 "4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol" BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines CN1C(N)=NC2=C1C=C(C=N2)C1=CC=C(O)C=C1 99443369 DB06899 "N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE" BE0000270 REN P00797 RENI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines CCC1=NC(N)=NC(N)=C1C1=CC=C2SC(C)(C)C(=O)N(CCNC(C)=O)C2=C1 99443370 DB06902 p-Cumylphenol BE0002088 ESRRG P62508 ERR3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Benzene Derivatives CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1 99443373 CHEMBL194805 DB06905 "(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid" BE0003749 PPP2R5C Q13362 2A5G_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Beta amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](C)(\C=C(/C)\C=C\[C@]([H])(N)[C@]([H])(C)C(O)=O)[C@]([H])(CC1=CC=CC=C1)OC 99443376 DB06905 "(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid" BE0002326 PPP2CA P67775 PP2AA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Beta amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](C)(\C=C(/C)\C=C\[C@]([H])(N)[C@]([H])(C)C(O)=O)[C@]([H])(CC1=CC=CC=C1)OC 99443376 DB06905 "(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid" BE0003750 PPP2R1A P30153 2AAA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Beta amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](C)(\C=C(/C)\C=C\[C@]([H])(N)[C@]([H])(C)C(O)=O)[C@]([H])(CC1=CC=CC=C1)OC 99443376 DB06908 "(2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID" BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Phenyl-1,3-oxazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles [H][C@@](CC1=CC2=C(C=C1)N(CC1=C(C)OC(=N1)C1=C(Cl)C=CC=C1)C=C2)(OCC)C(O)=O 99443379 DB06908 "(2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID" BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Phenyl-1,3-oxazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles [H][C@@](CC1=CC2=C(C=C1)N(CC1=C(C)OC(=N1)C1=C(Cl)C=CC=C1)C=C2)(OCC)C(O)=O 99443379 DB06909 "1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide" BE0000487 PDE4B Q07343 PDE4B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrazolopyridines Organic compounds; Organoheterocyclic compounds; Pyrazolopyridines CCN1N=CC2=C1N=CC(C(=O)NCC1=CC=CC=C1)=C2NC1CCOCC1 99443380 CHEMBL521203 DB06916 "N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE" BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@]1(CCCN1C1=NC(=NC(C)=C1)N1C=CN=C1)C(=O)NCCC1=CC2=C(OCO2)C=C1 99443387 CHEMBL376632 DB06917 (4-fluorophenyl)(pyridin-4-yl)methanone BE0001680 LTA4H P09960 LKHA4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds FC1=CC=C(C=C1)C(=O)C1=CC=NC=C1 99443388 CHEMBL563196 DB06920 Eribaxaban BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@]1(CN(C(=O)NC2=CC=C(Cl)C=C2)[C@]([H])(C1)C(=O)NC1=CC=C(C=C1F)N1C=CC=CC1=O)OC 99443391 CHEMBL476186 DB06921 (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID BE0003257 CPB1 P15086 CBPB1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides [H][C@@](C[P@](O)(=O)[C@@]([H])(NS(=O)(=O)C1=CC=CC=C1)C(C)C)(C(O)=O)C1=CC(CN)=CC=C1 99443392 DB06925 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE BE0000842 LCK P06239 LCK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides CC1=CC=C(C=C1C1=CC=C2N=C(N)N=CC2=C1)C(=O)NC1=CC=CC(=C1)C(F)(F)F 99443396 CHEMBL385937 DB06926 "(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid" BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Lineolic acids and derivatives Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives [H][C@](O)(CCCCC)\C=C\C=C/CCCCCCCC(O)=O 99443397 CHEMBL451721 DB06927 [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE BE0000792 ESR2 Q92731 ESR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-arylbenzofuran flavonoids Organic compounds; Phenylpropanoids and polyketides; 2-arylbenzofuran flavonoids OC1=CC=C(C=C1)C1=CC2=C(O1)C(CC#N)=CC(O)=C2 99443398 CHEMBL184151 DB06927 [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-arylbenzofuran flavonoids Organic compounds; Phenylpropanoids and polyketides; 2-arylbenzofuran flavonoids OC1=CC=C(C=C1)C1=CC2=C(O1)C(CC#N)=CC(O)=C2 99443398 CHEMBL184151 DB06927 [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-arylbenzofuran flavonoids Organic compounds; Phenylpropanoids and polyketides; 2-arylbenzofuran flavonoids OC1=CC=C(C=C1)C1=CC2=C(O1)C(CC#N)=CC(O)=C2 99443398 CHEMBL184151 DB06928 (2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID BE0000568 FOLH1 Q04609 FOLH1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Iodobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes [H][C@@](CCC(O)=O)(C[P@](O)(=O)CC1=CC=C(I)C=C1)C(O)=O 99443399 DB06932 "10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine" BE0001193 PDPK1 O15530 PDPK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives COC1=CC2=NC=C3C(N)=NC4=C(C)C(N)=CC=C4C3=C2C=C1OC 99443403 CHEMBL235157 DB06933 N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide BE0001097 MAPK10 P53779 MK10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C1=CN=C2C=CC=C(NC3=CC=CC=N3)C2=C1 99443404 CHEMBL250409 DB06937 "4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL" BE0000792 ESR2 Q92731 ESR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles OC1=CC2=C(C=C1)C(=NO2)C1=C(O)C=C(O)C=C1 99443408 CHEMBL360410 DB06940 "N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide" BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives CCNC(=O)C1=CN2N=CN=C(NC3=CC(=CC=C3C)C(=O)NOC)C2=C1C 99443411 CHEMBL252128 DB06941 (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide BE0001177 S100B P04271 S100B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines CN1CCN(CC1)C1=C(C\N=N/C(N)=S)C=CC=C1 99443412 DB06943 (3S)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol BE0003754 ADAM17 P78536 ADA17_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides [H][C@]1(S)CCN(C1)S(=O)(=O)C1=CC=C(OCC#CC)C=C1 99443414 CHEMBL243024 DB06944 N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenes Organic compounds; Benzenoids; Naphthalenes O=C(CC1=CC2=C(C=CC=C2)C=C1)NC1=CC(=NN1)C1CC1 99443415 CHEMBL115220 DB06944 N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenes Organic compounds; Benzenoids; Naphthalenes O=C(CC1=CC2=C(C=CC=C2)C=C1)NC1=CC(=NN1)C1CC1 99443415 CHEMBL115220 DB06948 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives C(OC1=C2NC=NC2=NC(NC2=CC=CC=C2)=N1)C1CCCCC1 99443419 CHEMBL122264 DB06948 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives C(OC1=C2NC=NC2=NC(NC2=CC=CC=C2)=N1)C1CCCCC1 99443419 CHEMBL122264 DB06953 2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE BE0002373 FNTA P49354 FNTA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines [H][C@](OCC1=NC(Cl)=C(C=C1C1=CC(Cl)=CC=C1)C#N)(C1=CN=CN1C)C1=CC=C(C=C1)C#N 99443424 DB06953 2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE BE0002372 FNTB P49356 FNTB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines [H][C@](OCC1=NC(Cl)=C(C=C1C1=CC(Cl)=CC=C1)C#N)(C1=CN=CN1C)C1=CC=C(C=C1)C#N 99443424 DB06954 "2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate" BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenoids Organic compounds; Benzenoids NS(=O)(=O)OC1=CC=C2C=C(CC3CCCCCC3)S(=O)(=O)C2=C1 99443425 CHEMBL476937 DB06956 "N-(4-ACETYLPHENYL)-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides CC(=O)C1=CC=C(NC(=O)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1 99443427 CHEMBL200469 DB06957 "4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)BENZYL]PIPERAZIN-1-YL}-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines CS(=O)(=O)C1=CC=C(CN2CCN(CC2)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1 99443428 CHEMBL208239 DB06958 "5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-3-CARBOXAMIDE" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines CCNC(=O)C1=NNC(=C1N1CCNCC1)C1=CC(Cl)=C(O)C=C1O 99443429 CHEMBL207701 DB06959 (2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives [H]N([H])[C@H](COC1=CN=CC(=C1)C1=CC2=C(C=C1)C=NC=C2)CC1C=NC2=CC=CC=C12 99443430 DB06959 (2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives [H]N([H])[C@H](COC1=CN=CC(=C1)C1=CC2=C(C=C1)C=NC=C2)CC1C=NC2=CC=CC=C12 99443430 DB06961 "5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Resorcinols Organic compounds; Benzenoids; Phenols; Benzenediols CCNC(=O)C1=NOC(=C1C1=CC=C(CN2CCOCC2)C=C1)C1=C(O)C=C(O)C(Cl)=C1 99443432 CHEMBL398346 DB06964 "5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXAMIDE" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Resorcinols Organic compounds; Benzenoids; Phenols; Benzenediols CCNC(=O)C1=NOC(=C1C1=CC=C(OC)C=C1)C1=C(O)C=C(O)C(Cl)=C1 99443435 CHEMBL252124 DB06967 "6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE" BE0000270 REN P00797 RENI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Carbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles CCC1=NC(N)=NC(N)=C1C1=CC2=C(C=C1)C1=CC=CC=C1N2CCCOC 99443438 DB06969 "2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives CCNC(=O)C1=CC2=C(N=C(N)N=C2S1)C1=C(Cl)C=C(Cl)C(OCCN2CCCC2)=C1 99443440 CHEMBL563327 DB06971 "N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA" BE0001182 MMP8 P22894 MMP8_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biphenylcarbonitriles Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives CN(CCOC1=CC=C(C=C1)C1=CC=C(C=C1)C#N)C(=O)NO 99443442 CHEMBL200435 DB06972 "7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile" BE0000516 ITGAL P20701 ITAL_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolizines Organic compounds; Organoheterocyclic compounds; Pyrrolizines ClC1=CC(=CC(Cl)=C1)C1=C(C#N)[C@@]2(CC3=CC=C(C=C3)C#N)CCCN2C1=O 99443443 CHEMBL232942 DB06973 Bisphenol A BE0002088 ESRRG P62508 ERR3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Bisphenols Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Air Pollutants, Occupational; Air Pollutants; Antioxidants; Estrogens, Non-Steroidal; Environmental Pollutants; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Estrogens; Free Radical Scavengers; Toxic Actions; Benzene Derivatives; Pyrans; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 99443444 Bisphenol_A CHEMBL418971 1433347 DB06976 "1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoindolones Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindolines [H][C@]1(CCCN1)C1=CC(NC(=O)NC2=CC=CC3=C2[C@]2([H])CCCN2C3=O)=NN1 99443447 CHEMBL359020 DB06977 (2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-(7aH-indol-3-yl)-2-propanamine BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H][C@@](N)(COC1=CN=CC(=C1)C1=CC2=CNN=C2C=C1)CC1=C2C=CC=CC2([H])N=C1 99443448 DB06983 "(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives OCC1=C2N=C(C=C(NCC3=CN=CC=C3)N2N=C1)C1=CC=CC=C1 99443454 CHEMBL400520 DB06984 "(1R,2R,3R,4S,5R)-4-(Benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol" BE0003505 MAN2A1 Q16706 MA2A1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylmethylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines [H]N(CC1=CC=CC=C1)[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@]1([H])SC 99443455 DB06989 {4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-3-OXOPROPYL]PHENYL}SULFAMIC ACID BE0003769 PTPRB P23467 PTPRB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Linear 1,3-diarylpropanoids" "Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids" COC(=O)C(CC1=CC=CC=C1)(CC1=CC=C(NS(O)(=O)=O)C=C1)C(=O)OC 99443460 CHEMBL379000 DB06991 "N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide" BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides [H][C@@](C)(CC)NC1=NC=C(S1)C(=O)NC1=C(C)C=CC(=C1)C(=O)NC 99443462 CHEMBL258202 DB06992 "(3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone" BE0000329 HSD11B1 P28845 DHI1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines CC1=CC=C(C=C1F)C1=NC(=CC=C1)C(=O)N1CCCC(C)(C)C1 99443463 CHEMBL406572 DB06995 N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide BE0000915 MET P08581 MET_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acyl-phenylureas Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas NC1=NC=CC(OC2=C(F)C=C(NC(=O)NC(=O)CC3=CC=C(F)C=C3)C=C2)=C1 99443466 CHEMBL527066 DB06997 "2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide" BE0000915 MET P08581 MET_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acyl-phenylureas Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas FC1=CC=C(CC(=O)NC(=O)NC2=CC(F)=C(OC3=CC=NC4=C3C=CN4)C=C2)C=C1 99443468 CHEMBL503090 DB06999 PLX-4720 BE0000634 BRAF P15056 BRAF_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfur Compounds; Amides" CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=CNC3=C2C=C(Cl)C=N3)=C1F 99443470 CHEMBL1230020 DB07000 "N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide" BE0000634 BRAF P15056 BRAF_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds CCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CN=CC=C2)=C1F 99443471 DB07002 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-benzoylpiperidines Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives COC1=CC=NC(NC2CCN(CC2)C(=O)C2=CC=C(C=C2)C#N)=C1 99443473 CHEMBL114500 DB07003 "(2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine" BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alkyl aryl ethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers [H][C@]1(C)CN=C(N)C2=C(O1)C=CS2 99443474 CHEMBL1221702 DB07004 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide BE0001177 S100B P04271 S100B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Furoic acid and derivatives Organic compounds; Organoheterocyclic compounds; Furans; Furoic acid and derivatives CCCCC#CC1=CC=C(O1)C(=O)NNC(=S)NC 99443475 DB07006 "9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE" BE0003335 WEE1 P30291 WEE1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles COC1=CC=CC=C1C1=CC2=C(C3=C(C=CC(O)=C3)N2CCCO)C2=C1C(=O)NC2=O 99443477 CHEMBL512341 DB07007 "(3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine" BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tetrahydroisoquinolines Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines [H][C@@]1(COC2=CC=C3CCNCC3=C2)COC2=C(SC=C2)C(N)=N1 99443478 DB07008 "4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE" BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles C1OC2=C(O1)C=C(OC1=CC=NC(OC3=CC=C(C=C3)N3C=CN=C3)=N1)C=C2 99443479 CHEMBL243978 DB07009 "2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL" BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthols and derivatives Organic compounds; Benzenoids; Naphthalenes; Naphthols and derivatives OC1=CC2=C(C=C1)N=C(O2)C1=C2C=CC=C(O)C2=CC=C1 99443480 CHEMBL185918 DB07009 "2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL" BE0000792 ESR2 Q92731 ESR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthols and derivatives Organic compounds; Benzenoids; Naphthalenes; Naphthols and derivatives OC1=CC2=C(C=C1)N=C(O2)C1=C2C=CC=C(O)C2=CC=C1 99443480 CHEMBL185918 DB07010 N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE BE0000923 MAPK1 P28482 MK01_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles ClC1=CC(=CC=C1)C1=CNN=C1C1=CNC(=C1)C(=O)NCC1=CC=CC=C1 99443481 CHEMBL220320 DB07010 N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE BE0001097 MAPK10 P53779 MK10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles ClC1=CC(=CC=C1)C1=CNN=C1C1=CNC(=C1)C(=O)NCC1=CC=CC=C1 99443481 CHEMBL220320 DB07011 "(3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE" BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles [H][C@@]1(CCCN(CC2=CC3=C(OCO3)C=C2)C1)OC1=CC=C(C=C1)N1C=CN=C1 99443482 CHEMBL232827 DB07014 "2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole" BE0001065 GSK3B P49841 GSK3B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzodioxoles Organic compounds; Organoheterocyclic compounds; Benzodioxoles COC1=C(F)C=C(CSC2=NN=C(O2)C2=CC3=C(OCO3)C=C2)C=C1 99443485 CHEMBL456218 DB07017 "(5S)-2-{[(1S)-1-(4-Fluorophenyl)ethyl]amino}-5-(2-hydroxy-2-propanyl)-5-methyl-1,3-thiazol-4(5H)-one" BE0000329 HSD11B1 P28845 DHI1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fluorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)C1=CC=C(F)C=C1 99443488 CHEMBL455907 DB07020 "N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide" BE0003772 MAPK9 P45984 MK09_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-furanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides O=C(NC1=CC(=CC=C1)C1=NNC2=CC=C(C=C12)C1=NNC=N1)C1=CC=CO1 99443491 CHEMBL1230051 DB07022 3-Hydroxypropyl 3-[(7-carbamimidoyl-1-naphthyl)carbamoyl]benzenesulfonate BE0001021 F11 P03951 FA11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonate esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonic acids and derivatives NC(=N)C1=CC2=C(NC(=O)C3=CC=CC(=C3)S(=O)(=O)OCCCO)C=CC=C2C=C1 99443493 DB07023 "(1R)-2-[(Diaminomethylene)amino]-1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl nicotinate" BE0001021 F11 P03951 FA11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzyloxycarbonyls Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzyloxycarbonyls [H]N([H])C(=NC[C@H](OC(=O)C1=CN=CC=C1)C1=CC=C(C=C1)B1OC[C@@H](CO)O1)N([H])[H] 99443494 DB07024 "2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones CC1=CC(N2CCCS2(=O)=O)=C2OC(=C(O)C(=O)C2=C1)C1=CC=C(O)C(O)=C1 99443495 CHEMBL232557 DB07025 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydroquinolones Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives NCC1CCN(CC2=CC3=C(NC(=C3)C3=CC4=CC=CC=C4NC3=O)C=C2)CC1 99443496 CHEMBL221735 DB07029 "4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE" BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles CC1=NC(OC2=CC=C(C=C2)N2C=CN=C2)=NC(OC2=CC3=C(OCO3)C=C2)=C1 99443500 CHEMBL390674 DB07031 "3-Fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid" BE0000144 RARG P13631 RARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acylaminobenzoic acid and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Hydrocarbons, Acyclic; Cyclohexenes; Biological Factors; Alkenes; Cycloparaffins; Polyenes; Carotenoids; Cyclohexanes; Pigments, Biological; Terpenes" CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@@H](O)C(=O)NC1=C(F)C=C(C=C1)C(O)=O 99443502 DB07032 2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL BE0000792 ESR2 Q92731 ESR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-arylbenzofuran flavonoids Organic compounds; Phenylpropanoids and polyketides; 2-arylbenzofuran flavonoids OC1=CC=C(C=C1)C1=CC2=C(O1)C=CC(O)=C2 99443503 CHEMBL367588 DB07033 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE BE0001193 PDPK1 O15530 PDPK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indoles and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives [H][C@](C)(C1=CC=CN1)C1=C2C=C(O)C=CC2=NC1=O 99443504 DB07034 "2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fluorenes Organic compounds; Benzenoids; Fluorenes ON=C1C2=CC(OCC(O)=O)=CC=C2C2=C1C=C(OCC(O)=O)C=C2 99443505 DB07036 "(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol" BE0000792 ESR2 Q92731 ESR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-hydroxyflavonoids Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids [H][C@@]12CC(F)(F)C[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1COC)C1=CC=C(O)C=C1 99443507 CHEMBL236720 DB07037 (2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Nitroquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Nitroquinolines and derivatives [H][C@](O)(CN)CNC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O 99443508 DB07038 2-(cyclohexylamino)benzoic acid BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminobenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives OC(=O)C1=CC=CC=C1NC1CCCCC1 99443509 DB07039 (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides C[C@](O)(COC1=CC=C(C=C1)C#N)C(=O)NC1=CC=C(C#N)C(I)=C1 99443510 DB07045 "(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol" BE0003774 BAG1 Q99933 BAG1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine nucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides" [H][C@]1(CO)O[C@@]([H])(N2C(NCC3=CC=C(Cl)C(Cl)=C3)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O 99443516 CHEMBL516357 DB07046 "2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide" BE0000870 MAP2K1 Q02750 MP2K1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives [H][C@@](O)(CO)CONC(=O)C1=CC=C(F)C(F)=C1NC1=CC=C(I)C=C1Cl 99443517 CHEMBL573819 DB07048 "N-[(2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl]-2-propylpentanamide" BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indanes Organic compounds; Benzenoids; Indanes [H][C@]1(CC2=C(C1)C=C(C=C2)S(N)(=O)=O)NC(=O)C(CCC)CCC 99443519 DB07049 (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine BE0000329 HSD11B1 P28845 DHI1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines [H][C@@]1(C)CN(CCN1S(=O)(=O)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)[N+]([O-])=O 99443520 CHEMBL427896 DB07050 "5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide" BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=NN=C(NS(=O)(=O)C2=CC=CC=C2)S1 99443521 CHEMBL73962 DB07051 "3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER" BE0001287 PDE4D Q08499 PDE4D_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CCOC(=O)C1=C(C)N([NH+]=C1C)C1=CC=CC=C1 99443522 DB07053 2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolyl carboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives CCCC1=C2ON=C(C2=CC=C1OCCCOC1=CC2=C(C=C1)N(CC(O)=O)C=C2)C(F)(F)F 99443524 CHEMBL200495 DB07054 (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes [H][C@](O)(COC1=CC=C(NC2=NC=NC(NC3=C(F)C=CC(=C3)C(F)(F)F)=C2)C=C1)CN(C)C 99443525 DB07056 "2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide" BE0000329 HSD11B1 P28845 DHI1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides CCN(CC)C(=O)CC1=CC=CC(NS(=O)(=O)C2=C(C)C(Cl)=CC=C2)=N1 99443527 CHEMBL495597 DB07058 "5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione" BE0001065 GSK3B P49841 GSK3B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylbenzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Phenylbenzimidazoles COC1=CC=C(C=C1)N1C=NC2=C1C=C(C=C2)C1=NNC(=S)O1 99443529 DB07059 "N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE" BE0000270 REN P00797 RENI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoxazinones Organic compounds; Organoheterocyclic compounds; Benzoxazines; Benzoxazinones CCC1=NC(N)=NC(N)=C1C1=CC2=C(OC(C)(C)C(=O)N2CCNC(C)=O)C=C1 99443530 CHEMBL240355 DB07061 "1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL" BE0003780 NMT2 O60551 NMT2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Carbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles [H][C@](O)(CNC1CCCCC1)CN1C2=C(CCCC2)C2=C1C=CC(C)=C2 99443532 CHEMBL1230144 DB07064 "(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE" BE0001852 KIF11 P52732 KIF11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 4-phenyltetrahydroisoquinolines Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 4-phenyltetrahydroisoquinolines [H][C@@]1(CN(CC2=C1C=CC(C)=C2C)C(=O)N(C)C)C1=CC(O)=CC=C1 99443535 CHEMBL205786 DB07065 "5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives ClC1=C(Cl)C(=CC=C1)C1=NC2=C(SC#N)C=NN2C(NCC2=CC=NC=C2)=C1 99443536 DB07068 "(4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID" BE0003769 PTPRB P23467 PTPRB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Gamma amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CCOC(=O)C(CCNC(=O)OC(C)(C)C)(CC1=CC=C(NS(O)(=O)=O)C=C1)C(=O)OCC 99443539 DB07070 (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid BE0001007 PPARD Q03181 PPARD_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-benzylbenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives [H][C@](CC)(CC1=CC(CNC(=O)C2=C(F)C=C(C=C2)C(F)(F)F)=C(OC)C=C1)C(O)=O 99443541 CHEMBL202609 DB07071 "(R)-1-(4-(4-(Hydroxymethyl)-1,3,2-dioxaborolan-2-YL)phenethyl)guanidine" BE0001021 F11 P03951 FA11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives NC(N)=NCCC1=CC=C(C=C1)B1OC[C@@H](CO)O1 99443542 DB07073 "5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one" BE0001315 PIK3CG P48736 PK3CG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dialkylarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines CC1(C)CC2=C(SC(=N2)N2CCOCC2)C(=O)C1 99443544 CHEMBL469099 DB07074 6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER BE0001021 F11 P03951 FA11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenecarboxylic acids Organic compounds; Benzenoids; Naphthalenes; Naphthalenecarboxylic acids and derivatives COC(=O)C1=CC2=CC=C(C=C2C(NC(=O)C2=CC=CC(O)=C2C)=C1)C(N)=N 99443545 DB07075 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indazoles Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles NCC1CCN(CC2=CC3=C(NC(=C3)C3=NNC4=C3C=CC(=C4)C#N)C=C2)CC1 99443546 CHEMBL221181 DB07077 "(R)-1-(4-(4-(Hydroxymethyl)-1,3,2-dioxaborolan-2-YL)phenyl)guanidine" BE0001021 F11 P03951 FA11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives NC(N)=NC1=CC=C(C=C1)B1OC[C@@H](CO)O1 99443548 DB07078 "(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Methoxyphenols Organic compounds; Benzenoids; Phenols; Methoxyphenols COC1=CC(=CC=C1O)C1=CC2=C(C=C1)\C(=C\C1=CC=CN1)C(=O)N2 99443549 CHEMBL202930 DB07079 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol BE0003754 ADAM17 P78536 ADA17_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonyl compounds Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds CC#CCOC1=CC=C(C=C1)S(=O)(=O)CCCS 99443550 CHEMBL402747 DB07080 TO-901317 BE0001598 NR1H2 P55055 NR1H2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides "Hydrocarbons, Halogenated; Sulfones; Sulfur Compounds; Amides; Benzene Derivatives; Sulfonamides; Hydrocarbons, Fluorinated" OC(C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C1=CC=CC=C1)(C(F)(F)F)C(F)(F)F 99443551 CHEMBL62136 DB07080 TO-901317 BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides "Hydrocarbons, Halogenated; Sulfones; Sulfur Compounds; Amides; Benzene Derivatives; Sulfonamides; Hydrocarbons, Fluorinated" OC(C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C1=CC=CC=C1)(C(F)(F)F)C(F)(F)F 99443551 CHEMBL62136 DB07080 TO-901317 BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides "Hydrocarbons, Halogenated; Sulfones; Sulfur Compounds; Amides; Benzene Derivatives; Sulfonamides; Hydrocarbons, Fluorinated" OC(C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C1=CC=CC=C1)(C(F)(F)F)C(F)(F)F 99443551 CHEMBL62136 DB07082 "1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL" BE0001598 NR1H2 P55055 NR1H2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylalkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines OC(C1=CC=C(NCC(F)(F)F)C=C1)(C(F)(F)F)C(F)(F)F 99443553 DB07086 "4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL" BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-hydroxy-2-unsubstituted benzenoids Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids [H][C@@]12C[C@@](CO)(CO[C@]1([H])C1=CC=C(O)C=C1)CC=C2C 99443557 CHEMBL193676 DB07086 "4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL" BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-hydroxy-2-unsubstituted benzenoids Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids [H][C@@]12C[C@@](CO)(CO[C@]1([H])C1=CC=C(O)C=C1)CC=C2C 99443557 CHEMBL193676 DB07087 "4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL" BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-hydroxy-2-unsubstituted benzenoids Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids [H][C@]1(C)CC[C@]2(CO)CO[C@]([H])(C3=CC=C(O)C=C3)[C@@]1([H])[C@@]2([H])C 99443558 DB07087 "4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL" BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-hydroxy-2-unsubstituted benzenoids Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids [H][C@]1(C)CC[C@]2(CO)CO[C@]([H])(C3=CC=C(O)C=C3)[C@@]1([H])[C@@]2([H])C 99443558 DB07094 "1-(2,2'-bithiophen-5-yl)methanamine" BE0001680 LTA4H P09960 LKHA4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Bi- and oligothiophenes Organic compounds; Organoheterocyclic compounds; Bi- and oligothiophenes NCC1=CC=C(S1)C1=CC=CS1 99443565 CHEMBL538940 DB07096 "6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE" BE0001717 PARP1 P09874 PARP1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolones and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives NC1=CC=C2C(=O)NC(=O)C3=CC=CC1=C23 99443567 CHEMBL338790 DB07099 N-[4-(benzyloxy)phenyl]glycinamide BE0001680 LTA4H P09960 LKHA4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" NCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1 99443570 CHEMBL479960 DB07100 "4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines OC1=CC(O)=C(Cl)C=C1C1=C(C=NN1)N1CCNCC1 99443571 CHEMBL380888 DB07101 Mirdametinib BE0000870 MAP2K1 Q02750 MP2K1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Aminobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Aniline Compounds; Amines; Benzoates; Acids, Carbocyclic; Amides; Benzene Derivatives" [H][C@@](O)(CO)CONC(=O)C1=C(NC2=CC=C(I)C=C2F)C(F)=C(F)C=C1 99443572 CHEMBL507361 DB07102 (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid BE0001680 LTA4H P09960 LKHA4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Glutamine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](N)(CCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1)C(O)=O 99443573 CHEMBL478381 DB07104 4-amino-N-[4-(benzyloxy)phenyl]butanamide BE0001680 LTA4H P09960 LKHA4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Gamma amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" NCCCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1 99443575 CHEMBL478718 DB07107 (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles [H][C@@](N)(COC1=CN=CC(\C=C\C2=CC=NC=C2)=C1)CC1=CNC2=C1C=CC=C2 99443578 CHEMBL383541 DB07107 (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles [H][C@@](N)(COC1=CN=CC(\C=C\C2=CC=NC=C2)=C1)CC1=CNC2=C1C=CC=C2 99443578 CHEMBL383541 DB07108 "4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID" BE0003510 BCL2L1 Q07817 B2CL1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives OC(=O)C1=CC=C(C=C1)C1=CC=C(F)C=C1 99443579 CHEMBL106708 DB07111 "(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid" BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Very long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates [H][C@](O)(CCC(O)=O)\C=C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC 99443582 DB07112 N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE BE0002217 EGLN1 Q9GZT9 EGLN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" OC(=O)CNC(=O)C1=C(O)C2=CC=CC(I)=C2C=N1 99443583 CHEMBL509064 DB07113 "(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE" BE0000270 REN P00797 RENI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoxazinones Organic compounds; Organoheterocyclic compounds; Benzoxazines; Benzoxazinones [H][C@]1(OC2=C(C=C(C=C2)C2=C(N)N=C(N)N=C2CC)N(CCCOC)C1=O)C1=CC(F)=CC(F)=C1 99443584 DB07115 "N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide" BE0003633 CA13 Q8N1Q1 CAH13_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides CN(CC1=CC=C(Cl)C=C1)S(=O)(=O)C1=CC=C(C=C1)S(N)(=O)=O 99443586 DB07119 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylnaphthalenes Organic compounds; Benzenoids; Naphthalenes; Phenylnaphthalenes OC1=CC=C(C=C1)C1=CC=C2C(C=CC(O)=C2Cl)=C1 99443590 CHEMBL364092 DB07119 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL BE0000792 ESR2 Q92731 ESR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylnaphthalenes Organic compounds; Benzenoids; Naphthalenes; Phenylnaphthalenes OC1=CC=C(C=C1)C1=CC=C2C(C=CC(O)=C2Cl)=C1 99443590 CHEMBL364092 DB07121 "4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE" BE0003754 ADAM17 P78536 ADA17_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides [H][C@]1(N(CCSC1(C)C)S(=O)(=O)C1=CC=C(OCC#CCN)C=C1)C(=O)NO 99443592 CHEMBL202839 DB07124 "(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE" BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indoles and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives [H][C@@](N)(COC1=CN=CC(=C1)C1=NCC2=NN=CC2=C1)CC1=C2C=CCC=C2N=C1 99443595 DB07125 "4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid" BE0003788 DAPK3 O43293 DAPK3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles [H][C@@](CC)(CO)NC1=NN2C(C=C1)=NC=C2C1=CC=C(C=C1)C(O)=O 99443596 DB07126 O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives NS(=O)(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1 99443597 CHEMBL319467 DB07126 O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives NS(=O)(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1 99443597 CHEMBL319467 DB07127 "{4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACID" BE0003769 PTPRB P23467 PTPRB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Linear 1,3-diarylpropanoids" "Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids" CC1=NC(=NO1)C(CC1=CC=CC=C1)(CC1=CC=C(NS(O)(=O)=O)C=C1)C1=NOC(C)=N1 99443598 DB07130 4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thiophene carboxylic acids Organic compounds; Organoheterocyclic compounds; Thiophenes; Thiophene carboxylic acids and derivatives OC(=O)COC1=C(SC(=C1Br)C1=CC=CC=C1)C(O)=O 99443601 CHEMBL213758 DB07132 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA BE0001193 PDPK1 O15530 PDPK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indoles and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives [H][C@](C)(C1=CC=CN1)C1=C2C=C(NC(N)=O)C=CC2=NC1=O 99443603 DB07134 "5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE" BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" ClC1=C(SC=C1N1CC(=O)NS1(=O)=O)C1=CC=CC=C1 99443605 CHEMBL394484 DB07136 BX-528 BE0003257 CPB1 P15086 CBPB1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylmethylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines CC(C)[C@H](NS(=O)(=O)CCCC1=CC=CC=C1)P(O)(=O)C[C@H](C(O)=O)C1=CC=CC(CN)=C1 99443607 DB07137 (2S)-N-[(3E)-5-Cyclopropyl-3H-pyrazol-3-ylidene]-2-[4-(2-oxo-1-imidazolidinyl)phenyl]propanamide BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental C[C@H](C(=O)\N=C1/C=C(N=N1)C1CC1)C1=CC=C(C=C1)N1CCNC1=O 99443608 DB07137 (2S)-N-[(3E)-5-Cyclopropyl-3H-pyrazol-3-ylidene]-2-[4-(2-oxo-1-imidazolidinyl)phenyl]propanamide BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental C[C@H](C(=O)\N=C1/C=C(N=N1)C1CC1)C1=CC=C(C=C1)N1CCNC1=O 99443608 DB07138 Neflamapimod BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235; 24900264 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Duffy JP, Harrington EM, Salituro FG, Cochran JE, Green J, Gao H, Bemis GW, Evindar G, Galullo VP, Ford PJ, Germann UA, Wilson KP, Bellon SF, Chen G, Taslimi P, Jones P, Huang C, Pazhanisamy S, Wang YM, Murcko MA, Su MS: The Discovery of VX-745: A Novel and Selective p38alpha Kinase Inhibitor. ACS Med Chem Lett. 2011 Jul 28;2(10):758-63. doi: 10.1021/ml2001455. eCollection 2011 Oct 13." Investigational Diarylthioethers Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers FC1=CC(F)=C(SC2=NN3C=NC(=O)C(=C3C=C2)C2=C(Cl)C=CC=C2Cl)C=C1 99443609 CHEMBL119385 DB07140 "5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine" BE0000330 DHFR P00374 DYR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives [H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC=CC=C1 99443611 CHEMBL459177 DB07141 "5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine" BE0000330 DHFR P00374 DYR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives [H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC=C(C)C=C1 99443612 CHEMBL575218 DB07142 "5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine" BE0000330 DHFR P00374 DYR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives [H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC(C)=CC(C)=C1 99443613 CHEMBL576960 DB07144 "5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine" BE0000330 DHFR P00374 DYR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives [H][C@](C)(C#CC1=C(N)N=C(N)N=C1C)C1=CC(OC)=CC(=C1)C1=C(C)C=CC=C1C 99443615 CHEMBL573077 DB07145 (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE BE0003754 ADAM17 P78536 ADA17_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrrolidines Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines [H][C@](C)(N1CC[C@](C)(C1=O)C1=CC=C(OCC2=CC(C)=NC3=CC=CC=C23)C=C1)C(=O)NO 99443616 CHEMBL148169 DB07146 "2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE" BE0000842 LCK P06239 LCK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,3-diphenylfurans" Organic compounds; Organoheterocyclic compounds; Furans; Diphenylfurans C(CN1CCNCC1)NC1=CC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1 99443617 CHEMBL392990 DB07147 "methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate" BE0003754 ADAM17 P78536 ADA17_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinolines and derivatives Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives [H][C@@]1(C[C@]1(CC1=CC=C(OCC2=CC(C)=NC3=C2C=CC=C3)C=C1)C(=O)OC)C(=O)NO 99443618 CHEMBL410462 DB07148 "(6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one" BE0002148 PREP P48147 PPCE_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acylpyrrolidines Organic compounds; Organoheterocyclic compounds; Pyrrolidines; N-acylpyrrolidines [H][C@]1(C=CC2=C(Cl)N=C(OCC3=CC=C(F)C=C3)C(=O)N12)C(=O)N1CCCC1 99443619 DB07149 "(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one" BE0001065 GSK3B P49841 GSK3B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolopyridines Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines [H][C@]1(CCF)CNC(=O)C2=C1NC(=C2)C1=NC(N)=NC=C1 99443620 CHEMBL524266 DB07150 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenes Organic compounds; Benzenoids; Naphthalenes O\N=C\C1=C2C=CC=CC2=C(C=C1)C1=CC=C(O)C=C1 99443621 CHEMBL395308 DB07150 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME BE0000792 ESR2 Q92731 ESR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenes Organic compounds; Benzenoids; Naphthalenes O\N=C\C1=C2C=CC=CC2=C(C=C1)C1=CC=C(O)C=C1 99443621 CHEMBL395308 DB07152 N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide BE0003782 TGFBR1 P36897 TGFR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinoxalines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines CC(=O)NC1=NC(=C(N1)C1=CC=C2N=CC=NC2=C1)C1=NC(C)=C(F)C=C1 99443623 CHEMBL519939 DB07156 "(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione" BE0000858 IGF1R P08069 IGF1R_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,3-isoquinolinediones" "Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; 1,3-isoquinolinediones" BrC1=CC=C2C(=O)NC(=O)\C(=C/NC3=CC=C(CN4CCCC4)C=C3)C2=C1 99443627 CHEMBL263143 DB07157 "(5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE" BE0003257 CPB1 P15086 CBPB1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzyloxycarbonyls Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzyloxycarbonyls [H][C@](NC(=O)OCC1=CC=CC=C1)(C(C)C)[P@@](O)(=O)O[C@]([H])(C(O)=O)C1=CC(CN)=CC=C1 99443628 DB07158 "5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydroquinolones Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives CCN1C(=O)C2=C(NN=C2C)C2=C1C=CC=C2 99443629 DB07159 Tamatinib BE0001316 SYK P43405 KSYK_HUMAN inhibitor 10592235; 33689480 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Zheng TJ, Lofurno ER, Melrose AR, Lakshmanan HHS, Pang J, Phillips KG, Fallon ME, Kohs TCL, Ngo ATP, Shatzel JJ, Hinds MT, McCarty OJT, Aslan JE: Assessment of the effects of Syk and BTK inhibitors on GPVI-mediated platelet signaling and function. Am J Physiol Cell Physiol. 2021 May 1;320(5):C902-C915. doi: 10.1152/ajpcell.00296.2020. Epub 2021 Mar 10." Experimental; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines COC1=CC(NC2=NC=C(F)C(NC3=CC=C4OC(C)(C)C(=O)NC4=N3)=N2)=CC(OC)=C1OC 99443630 Fostamatinib CHEMBL475251 DB07160 "N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCINE" BE0000939 CTSB P07858 CATB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoleucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)C(O)=O 99443631 DB07161 5-phenyl-1H-indazol-3-amine BE0002408 JAK2 O60674 JAK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indazoles Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles NC1=NNC2=CC=C(C=C12)C1=CC=CC=C1 99443632 CHEMBL500779 DB07162 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide BE0002408 JAK2 O60674 JAK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C1=CC2=C(NN=C2N)C=C1 99443633 CHEMBL480411 DB07163 5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoindolones Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindolines NCCNC1=CC(C2=CC=CN2)=C2C(=O)NC3=CC=C(F)C1=C23 99443634 CHEMBL82767 DB07164 "N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminopyrimidines and derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives C1CC1NC1=NC(=CC=N1)C1=C2C=CC=NN2N=C1 99443635 CHEMBL525194 DB07164 "N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminopyrimidines and derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives C1CC1NC1=NC(=CC=N1)C1=C2C=CC=NN2N=C1 99443635 CHEMBL525194 DB07168 [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile BE0003792 CAMK2B Q13554 KCC2B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzyl cyanides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzyl cyanides CNC1=NC(NC2=CC=C(CC#N)C=C2)=NC(NC2=NNC(=C2)C2CC2)=C1 99443639 DB07171 "5-(2-hydroxyethyl)nonane-1,9-diol" BE0003793 ECE1 P42892 ECE1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fatty alcohols Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty alcohols OCCCCC(CCO)CCCCO 99443642 DB07172 "(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid" BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydroxyeicosapentaenoic acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids [H][C@@](O)(CCCC(O)=O)\C=C\C=C/C\C=C/C\C=C/C\C=C/CC 99443643 DB07173 "7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE" BE0003540 ADK P55263 ADK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Glycosylamines Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@]1(C)O[C@@]([H])(N2C=C(I)C3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O 99443644 CHEMBL66280 DB07174 "6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE" BE0000270 REN P00797 RENI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoxazinones Organic compounds; Organoheterocyclic compounds; Benzoxazines; Benzoxazinones CCC1=C(C(N)=NC(N)=N1)C1=CC=C2OC(C)(C)C(=O)N(CCCOC)C2=C1 99443645 CHEMBL400431 DB07177 "(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID" BE0003795 PTGR1 Q14914 PTGR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H]C(CCCC(O)=O)=C([H])CC1C(\C([H])=C(/[H])C(=O)CCCCC)C(O)CC1=O 99443648 DB07177 "(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID" BE0003560 PTGR2 Q8N8N7 PTGR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H]C(CCCC(O)=O)=C([H])CC1C(\C([H])=C(/[H])C(=O)CCCCC)C(O)CC1=O 99443648 DB07179 "3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives CC1=C(C=CC=C1)C1=NC2=C(Br)C=NN2C(NCC2=C[N+]([O-])=CC=C2)=C1 99443650 CHEMBL249334 DB07180 "5-[(Z)-(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide" BE0003796 NEK2 P51955 NEK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines [H]N(C)C(=O)C1=C(C)N([H])C(\C=C2/C(=O)N([H])C3=C2C=C(Cl)C=C3)=C1C 99443651 DB07182 (2S)-2-(3-Carbamimidamidophenyl)-3-[hydroxy(3-phenylpropyl)phosphoryl]propanoic acid BE0003257 CPB1 P15086 CBPB1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental NC(N)=NC1=CC=CC(=C1)C(CP(O)(=O)CCCC1=CC=CC=C1)C(O)=O 99443653 DB07186 "4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE" BE0000991 AURKA O14965 AURKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines CN1CCN(CC1)C1=CC=C(C=C1)C(=O)NC1=NNC2=CN(C=C12)C(=O)CC1=CC=CS1 99443657 DB07189 "(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid" BE0003754 ADAM17 P78536 ADA17_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines [H][C@@]1(C[C@@]11C[C@]([H])(NC1=O)C1=CC=C(OCC2=CC(=NC3=C2C=CC=C3)C2=CC=CC=C2)C=C1)C(O)=O 99443660 DB07194 "2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide" BE0001316 SYK P43405 KSYK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thiazolecarboxamides Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles [H][C@](C)(CO)NC(=O)C1=C(C)N=C(S1)C1=NC(NC2=CC(C)=CC(C)=C2)=NC=C1 99443665 CHEMBL512172 DB07195 "4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL" BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-hydroxy-2-unsubstituted benzenoids Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids [H][C@]1(C)C=C(C)[C@]2([H])[C@]([H])(C)[C@@]1(CO)CO[C@]2([H])C1=CC=C(O)C=C1 99443666 DB07195 "4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL" BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-hydroxy-2-unsubstituted benzenoids Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids [H][C@]1(C)C=C(C)[C@]2([H])[C@]([H])(C)[C@@]1(CO)CO[C@]2([H])C1=CC=C(O)C=C1 99443666 DB07196 N-methyl-1-(2-thiophen-2-ylphenyl)methanamine BE0001680 LTA4H P09960 LKHA4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylmethylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines CNCC1=CC=CC=C1C1=CC=CS1 99443667 CHEMBL549343 DB07197 4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thiophene carboxylic acids Organic compounds; Organoheterocyclic compounds; Thiophenes; Thiophene carboxylic acids and derivatives OC(=O)COC1=C(SC(=C1Br)C1=CC=C(O)C=C1)C(O)=O 99443668 CHEMBL214502 DB07198 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE BE0000792 ESR2 Q92731 ESR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-arylbenzofuran flavonoids Organic compounds; Phenylpropanoids and polyketides; 2-arylbenzofuran flavonoids OC1=CC=C(C=C1)C1=CC2=C(O1)C(=CC(O)=C2)C#N 99443669 CHEMBL363498 DB07198 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-arylbenzofuran flavonoids Organic compounds; Phenylpropanoids and polyketides; 2-arylbenzofuran flavonoids OC1=CC=C(C=C1)C1=CC2=C(O1)C(=CC(O)=C2)C#N 99443669 CHEMBL363498 DB07203 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives ClC1=CC=CC(NC2=NC(OCC3CCCCC3)=C3NC=NC3=N2)=C1 99443674 CHEMBL341273 DB07203 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives ClC1=CC=CC(NC2=NC(OCC3CCCCC3)=C3NC=NC3=N2)=C1 99443674 CHEMBL341273 DB07204 "(1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE" BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Bipyridines and oligopyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines [H][C@@](N)(COC1=C2C=CC(=NC2=CN=C1)C1=CC=NC=C1)CC1=CNC2=C1C=CC=C2 99443675 CHEMBL207496 DB07204 "(1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE" BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Bipyridines and oligopyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines [H][C@@](N)(COC1=C2C=CC(=NC2=CN=C1)C1=CC=NC=C1)CC1=CNC2=C1C=CC=C2 99443675 CHEMBL207496 DB07205 N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE BE0000230 YARS P54577 SYYC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine ribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides" [H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2N=CN=C3NCCC(C)C)[C@]([H])(O)[C@]1([H])O 99443676 DB07207 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE BE0000333 F7 P08709 FA7_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles NC(=N)C1=CC=C2NC(=NC2=C1)C1=NNC(=C1O)C1=CC=CC=C1 99443678 CHEMBL204997 DB07208 "(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid" BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Lineolic acids and derivatives Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives [H][C@](O)(C\C=C/CCCCC)\C=C\CC(=O)CCCCC(O)=O 99443679 DB07209 "(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid" BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Lineolic acids and derivatives Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives [H][C@@](O)(CC(=O)CCCCC(O)=O)\C=C/C\C=C/CCCCC 99443680 DB07210 "3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives BrC1=C2N=C(C=C(NCC3=CC=NC=C3)N2N=C1)C1=CC=CC=C1 99443681 CHEMBL401377 DB07211 (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" C\C(=C/S(=O)(=O)N[C@@]1([H])CCN([C@](C)([H])C(=O)N2CCOCC2)C1=O)C1=CC=C(Cl)S1 99443682 CHEMBL391640 DB07212 N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE BE0001021 F11 P03951 FA11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenes Organic compounds; Benzenoids; Naphthalenes CC1=C(O)C=CC=C1C(=O)NC1=C2C=C(C=CC2=CC=C1)C(N)=N 99443683 DB07213 "(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Phenyl-1,2,3-triazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles OCC1=NNN=C1C1=CC2=C(C=C1)C(=NN2)C1=CC2=C(N1)C=CC(CN1CCCCC1)=C2 99443684 CHEMBL374713 DB07215 GW-590735 BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives "Fatty Acids, Volatile; Lipids; Sulfur Compounds; Acids, Acyclic; Fatty Acids" CC1=C(SC(=N1)C1=CC=C(C=C1)C(F)(F)F)C(=O)NCC1=CC=C(OC(C)(C)C(O)=O)C=C1 99443686 CHEMBL219586 DB07215 GW-590735 BE0000071 PPARA Q07869 PPARA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives "Fatty Acids, Volatile; Lipids; Sulfur Compounds; Acids, Acyclic; Fatty Acids" CC1=C(SC(=N1)C1=CC=C(C=C1)C(F)(F)F)C(=O)NCC1=CC=C(OC(C)(C)C(O)=O)C=C1 99443686 CHEMBL219586 DB07216 "(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE" BE0002373 FNTA P49354 FNTA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzocycloheptapyridines Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines [H][C@]1(C2CCN(CC2)S(C)(=O)=O)C2=C(C=C(Cl)C=C2)C(=CC2=C1N=CC=C2)N1CCNCC1 99443687 CHEMBL372164 DB07216 "(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE" BE0002372 FNTB P49356 FNTB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzocycloheptapyridines Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines [H][C@]1(C2CCN(CC2)S(C)(=O)=O)C2=C(C=C(Cl)C=C2)C(=CC2=C1N=CC=C2)N1CCNCC1 99443687 CHEMBL372164 DB07217 "N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide" BE0001097 MAPK10 P53779 MK10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-halobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives FC1=CC=CC=C1C(=O)NC1=C(C#N)C2=C(CCCC2)S1 99443688 CHEMBL234838 DB07218 "6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE" BE0003790 MAPK8 P45983 MK08_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydroquinolones Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives CN1N=C(C)C2=C1N(O)C1=C(C=C(Cl)C=C1)C2=O 99443689 CHEMBL207228 DB07219 "BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE" BE0000939 CTSB P07858 CATB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCCC)C(=O)N1CCC[C@@]1([H])C(=O)OCC1=CC=CC=C1 99443690 DB07220 "N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines O=C(CC1=CC=C(C=C1)N1CCCCC1)NC1=NNC2=C1C=C(C=C2)N1CCCS1(=O)=O 99443691 CHEMBL258040 DB07223 CA-074 methyl ester BE0000939 CTSB P07858 CATB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Cathepsin Inhibitors; Oligopeptides; Peptides; Cathepsin B, antagonists & inhibitors; Amino Acids, Peptides, and Proteins" [H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCCC)C(=O)N1CCC[C@@]1([H])C(=O)OC 99443694 CHEMBL262103 DB07224 "N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE" BE0000939 CTSB P07858 CATB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](C)(NC(=O)[C@@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)[C@@]([H])(C)CC)C(O)=O 99443695 DB07225 "N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE" BE0000939 CTSB P07858 CATB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)[C@@]([H])(C)CC)C(O)=O 99443696 DB07226 "N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE" BE0003335 WEE1 P30291 WEE1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles ClC1=CC=CC=C1C1=CC2=C(C3=C(N2)C=CC(NC=O)=C3)C2=C1C(=O)NC2=O 99443697 DB07227 L-778123 BE0002373 FNTA P49354 FNTA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines ClC1=CC(=CC=C1)N1CCN(CC2=CN=CN2CC2=CC=C(C=C2)C#N)CC1=O 99443698 CHEMBL279433 DB07227 L-778123 BE0002372 FNTB P49356 FNTB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines ClC1=CC(=CC=C1)N1CCN(CC2=CN=CN2CC2=CC=C(C=C2)C#N)CC1=O 99443698 CHEMBL279433 DB07227 L-778123 BE0001142 PGGT1B P53609 PGTB1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines ClC1=CC(=CC=C1)N1CCN(CC2=CN=CN2CC2=CC=C(C=C2)C#N)CC1=O 99443698 CHEMBL279433 DB07228 1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-phenylureas Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas [H][C@](C)(CN(C)C)OC1=CN=CC(NC(=O)NC2=C(OC)C=CC(Cl)=C2)=N1 99443699 DB07230 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE BE0000792 ESR2 Q92731 ESR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indenes and isoindenes Organic compounds; Benzenoids; Indenes and isoindenes OC1=CC=C(C=C1)C1=C(Br)C2=C(C=C(O)C=C2)C1=O 99443701 CHEMBL190467 DB07230 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indenes and isoindenes Organic compounds; Benzenoids; Indenes and isoindenes OC1=CC=C(C=C1)C1=C(Br)C2=C(C=C(O)C=C2)C1=O 99443701 CHEMBL190467 DB07231 "N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE" BE0000939 CTSB P07858 CATB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(O)=O 99443702 DB07232 Veliparib BE0001717 PARP1 P09874 PARP1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles "Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Poly(ADP-ribose) Polymerase Inhibitors; Poly (ADP-ribose) polymerase (PARP) inhibitors; Antineoplastic Agents" C[C@@]1(CCCN1)C1=NC2=CC=CC(C(N)=O)=C2N1 99443703 PA166131609 Veliparib CHEMBL506871 DB07232 Veliparib BE0003798 PARP2 Q9UGN5 PARP2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles "Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Poly(ADP-ribose) Polymerase Inhibitors; Poly (ADP-ribose) polymerase (PARP) inhibitors; Antineoplastic Agents" C[C@@]1(CCCN1)C1=NC2=CC=CC(C(N)=O)=C2N1 99443703 PA166131609 Veliparib CHEMBL506871 DB07233 N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan BE0003754 ADAM17 P78536 ADA17_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolyl carboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives [H][C@](CC1=CNC2=C1C=C(C)C=C2)(NS(=O)(=O)C1=CC=C(OCC#CC)C=C1)C(O)=O 99443704 CHEMBL527018 DB07234 "3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione" BE0001373 MAPKAPK2 P49137 MAPK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminopyridines and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives [H][C@](C)(NC1=C(NC2=CC=NC=C2)C(=O)C1=O)C1=CC=CC=C1 99443705 CHEMBL466496 DB07235 "N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE" BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Amphetamines and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines [H][C@@](CN)(CC1=C(Cl)C=C(Cl)C=C1)NC(=O)C1=CC=C(S1)C1=CC=NC(NC)=N1 99443706 CHEMBL213618 DB07236 3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL BE0000792 ESR2 Q92731 ESR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthols and derivatives Organic compounds; Benzenoids; Naphthalenes; Naphthols and derivatives OC1=CC2=C(C=C1)C(=NO2)C1=CC2=C(C=C1)C=C(O)C=C2 99443707 CHEMBL187105 DB07236 3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthols and derivatives Organic compounds; Benzenoids; Naphthalenes; Naphthols and derivatives OC1=CC2=C(C=C1)C(=NO2)C1=CC2=C(C=C1)C=C(O)C=C2 99443707 CHEMBL187105 DB07237 {4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone BE0001680 LTA4H P09960 LKHA4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones [H][C@]1(COC2=CC=C(C=C2)C(=O)C2=CC=C(C=C2)C2=CSC=C2)CCCN1 99443708 CHEMBL561639 DB07242 "(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile" BE0003788 DAPK3 O43293 DAPK3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Beta carbolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyridoindoles [H][C@@]1(C#N)C2=C(N(C)C3=C(Cl)C(Cl)=CC=C23)C(=O)NC11CCN(C)CC1 99443713 DB07243 "(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolopyridines Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(=O)C1=CNC3=C1C=CC=N3)N2C 99443714 DB07244 "5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE" BE0000270 REN P00797 RENI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines CCC1=C(C(N)=NC(N)=N1)C1=CC=C(NCC2=CC(F)=CC(F)=C2)C=C1 99443715 CHEMBL230153 DB07247 "[2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA" BE0000333 F7 P08709 FA7_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives NC(=O)NCC1=CC(=CC=C1)C1=C(O)C(=CC=C1)C1=CC2=C(N1)C=CN=C2 99443718 DB07248 "7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE" BE0003090 PTK2 Q05397 FAK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Pyrrolo[2,3-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines" COC1=CC(NC2=NC=C3C=CN(C3=N2)C2=CC=CC=N2)=CC(OC)=C1OC 99443719 CHEMBL205098 DB07249 "N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine" BE0002453 EPHB4 P54760 EPHB4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines COC1=C(OCCCN2CCCCC2)C=C2N=CN=C(NC3=C(Cl)C=CC4=C3OCO4)C2=C1 99443720 CHEMBL169186 DB07250 "N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE" BE0002453 EPHB4 P54760 EPHB4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzodioxoles Organic compounds; Organoheterocyclic compounds; Benzodioxoles COC1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC(OC)=C1OC 99443721 CHEMBL256725 DB07251 "N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE" BE0002453 EPHB4 P54760 EPHB4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines COC1=CC(NC2=NC=NC(NC3=CC(Cl)=C(OC)C=C3)=N2)=CC(OC)=C1OC 99443722 CHEMBL403673 DB07252 "3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide" BE0002453 EPHB4 P54760 EPHB4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1 99443723 CHEMBL257553 DB07253 "N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine" BE0002453 EPHB4 P54760 EPHB4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzodioxoles Organic compounds; Organoheterocyclic compounds; Benzodioxoles CS(=O)(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1 99443724 CHEMBL445162 DB07254 "N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE" BE0002453 EPHB4 P54760 EPHB4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides CS(=O)(=O)NC1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1 99443725 CHEMBL496574 DB07255 "N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE" BE0002453 EPHB4 P54760 EPHB4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylmorpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines ClC1=C(NC2=NC(NC3=CC(=CC=C3)N3CCOCC3)=NC=C2)C2=C(OCO2)C=C1 99443726 CHEMBL255874 DB07256 "3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE" BE0002453 EPHB4 P54760 EPHB4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives NC(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1 99443727 CHEMBL500724 DB07257 "4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione" BE0003335 WEE1 P30291 WEE1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrroloindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles CN1C=C(CCO)C2=C1C=C(C1=C2C(=O)NC1=O)C1=CC=CC=C1Cl 99443728 DB07258 (R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol BE0001680 LTA4H P09960 LKHA4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenol ethers Organic compounds; Benzenoids; Phenol ethers [H][C@](O)(C1=CC=NC=C1)C1=CC=C(OCCN2CCCC2)C=C1 99443729 DB07259 1-(4-thiophen-2-ylphenyl)methanamine BE0001680 LTA4H P09960 LKHA4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylmethylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines NCC1=CC=C(C=C1)C1=CC=CS1 99443730 CHEMBL539640 DB07260 N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline BE0001680 LTA4H P09960 LKHA4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines [H][C@]1(COC2=CC=C(NCC3=CC=CC=C3)C=C2)CCCN1 99443731 CHEMBL570775 DB07261 "THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE" BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives [H][C@@]1(CCN(CC2=CC3=C(C=CN=C3N)C=C2)C1=O)NS(=O)(=O)C1=CC2=C(S1)C=CC=N2 99443732 CHEMBL316053 DB07263 "[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid" BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Retro-dihydrochalcones "Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones" [H][C@](CC1=CC(Br)=C(C=C1)C(F)(F)P(O)(O)=O)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 99443734 DB07264 (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE BE0000923 MAPK1 P28482 MK01_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles [H][C@](CO)(NC(=O)C1=CC(=CN1)C1=NNC=C1C1=CC=CC(Cl)=C1)C1=CC(Cl)=C(F)C=C1 99443735 CHEMBL387385 DB07265 "3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID" BE0003335 WEE1 P30291 WEE1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles OC(=O)CCN1C2=C(C=C(O)C=C2)C2=C1C=C(C1=C2C(=O)NC1=O)C1=CC=CC=C1 99443736 CHEMBL462170 DB07266 AKI-001 BE0000991 AURKA O14965 AURKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles "Protein Kinase Inhibitors; Heterocyclic Compounds, Fused-Ring" CCN1C(=O)C(C)(C)C2=CC3=C(C=C12)C1=C(N3)C2=NNC(C)=C2CCC1 99443737 CHEMBL223147 DB07267 2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine BE0003782 TGFBR1 P36897 TGFR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyridinylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives CC1=CC=CC(=N1)C1=NC(NC2=CC=NC=C2)=C2C=CC=CC2=N1 99443738 CHEMBL570533 DB07268 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE BE0003790 MAPK8 P45983 MK08_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives NC(=O)C1=CC=CC=C1NC1=NC(NC2=CC(O)=CC=C2)=NC=C1 99443739 CHEMBL242237 DB07269 (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID BE0003257 CPB1 P15086 CBPB1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzyloxycarbonyls Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzyloxycarbonyls [H][C@@](C[P@](O)(=O)[C@@]([H])(NC(=O)OCC1=CC=CC=C1)C(C)C)(C(O)=O)C1=CC(CN)=CC=C1 99443740 DB07272 "N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE" BE0003790 MAPK8 P45983 MK08_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dimethoxybenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes CCOC1=NC(NC(=O)CC2=CC(OC)=C(Br)C=C2OC)=CC(N)=C1C#N 99443743 CHEMBL382639 DB07276 "5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE" BE0003790 MAPK8 P45983 MK08_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dimethoxybenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes CCOC1=NC(=CC=C1C#N)C(=O)NCC1=CC(OC)=CC=C1OC 99443747 CHEMBL209740 DB07277 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)CCC2=CC=C(Cl)S2)C1=O)C(=O)N1CCOCC1 99443748 CHEMBL391737 DB07278 GW-813893 BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Protease Inhibitors; Serine Protease Inhibitors; Pyrrolidines; Sulfones; Enzyme Inhibitors; Anticoagulants; Factor Xa Inhibitors; Hematologic Agents; Sulfur Compounds; Amides; Antithrombins C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\C2=CC=C(Cl)S2)C1=O)C(=O)N1CCOCC1 99443749 CHEMBL220050 DB07280 5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-4-AMINE BE0003540 ADK P55263 ADK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dialkylarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines CN(C)C1=CC=C(C=C1)C1=C(N=CN=C1N)C#CC1=CC=C(N=C1)N1CCOCC1 99443751 CHEMBL216697 DB07286 BMS-564929 BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylhydantoins Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines [H][C@@]1(O)CCN2C(=O)N(C(=O)[C@]12[H])C1=C(C)C(Cl)=C(C=C1)C#N 99443757 "BMS-564,929" CHEMBL229264 DB07288 N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide BE0000029 FLT1 P17948 VGFR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides ClC1=CC=C(NC(=O)C2=C(NCC3=CC=NC=C3)C=CC=C2)C=C1 99443759 CHEMBL101683 DB07289 5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines OC(=O)COC1=C(SC(=C1Br)C1=CC=CC(NCC2=CC=CC=C2)=C1)C(O)=O 99443760 CHEMBL243731 DB07292 "4-(2-amino-1,3-thiazol-4-yl)phenol" BE0001680 LTA4H P09960 LKHA4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,4-disubstituted thiazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles NC1=NC(=CS1)C1=CC=C(O)C=C1 99443763 CHEMBL483790 DB07294 "3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid" BE0000144 RARG P13631 RARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@H](O)C(=O)NC1=C(F)C=C(C=C1)C(O)=O 99443765 DB07295 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acylaminobenzoic acid and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives OC(=O)C(=O)N(C1=CC=CC=C1C(O)=O)C1=CC=CC2=CC=C(O)C=C12 99443766 CHEMBL305785 DB07297 "5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE" BE0000842 LCK P06239 LCK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,3-diphenylfurans" Organic compounds; Organoheterocyclic compounds; Furans; Diphenylfurans C(CN1CCNCC1)NC1=C2C(OC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1 99443768 CHEMBL247272 DB07298 "3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID" BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thienopyridines Organic compounds; Organoheterocyclic compounds; Thienopyridines OC(=O)COC1=C(SC2=NC=CC=C12)C(O)=O 99443769 DB07299 4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE BE0001021 F11 P03951 FA11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acyl-alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CCCNC(N)N)(NC(=O)[C@@]([H])(NC(=O)CCC(C)C)C(C)C)C(=O)C1=NC=CS1 99443770 DB07300 "2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine" BE0001193 PDPK1 O15530 PDPK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthyridines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Naphthyridines COCCOC1=C(OC)C=C2C(=C1)N=CC1=C(N)N=C(C=C21)N1C=CN=C1 99443771 CHEMBL571159 DB07302 9(S)-HODE BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Lineolic acids and derivatives Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives CCCCC\C=C/C=C/[C@@H](O)CCCCCCCC(O)=O 99443773 CHEMBL1230670 DB07306 ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Piperidinecarboxylic acids Organic compounds; Organoheterocyclic compounds; Piperidines; Piperidinecarboxylic acids and derivatives CCOC(=O)N1CCC(CC1)NC1=NC=CC(Cl)=C1 99443777 CHEMBL1221660 DB07307 N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridazines Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives CC1=CC=CC=C1C1=NN=CC2=C1C=CC(=C2)C1=C(C)C=CC(=C1)C(=O)NC1CC1 99443778 CHEMBL492265 DB07309 5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID BE0001534 METAP2 P50579 MAP2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides OC(=O)C1=C(NS(=O)(=O)C2=CC=C(Cl)C=C2)C=CC(Br)=C1 99443780 CHEMBL212522 DB07310 "(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one" BE0000329 HSD11B1 P28845 DHI1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fluorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F)F)C1=C(F)C=CC=C1 99443781 CHEMBL218006 DB07311 "18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alkyl aryl ethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers ClC1=CC2=C(OCCCCCOC3=CN=CC(NC(=O)N2)=N3)C=C1 99443782 CHEMBL223512 DB07313 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID BE0001534 METAP2 P50579 MAP2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides CC1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C(=C1)C(O)=O 99443784 CHEMBL378927 DB07314 "1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-CYANOPYRAZIN-2-YL)UREA" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-phenylureas Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas COC1=CC(OC)=C(NC(=O)NC2=NC=C(N=C2)C#N)C=C1Cl 99443785 CHEMBL207994 DB07316 "N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide" BE0000329 HSD11B1 P28845 DHI1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives C[C@](O)(C1=CC=C(C=C1)C(=O)N(C1CC1)C1CCN(CC2(CC2)C(N)=O)CC1)C(F)(F)F 99443787 CHEMBL453620 DB07317 (3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aniline and substituted anilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines O=C1OCC\C1=C/NC1=CC=CC=C1 99443788 CHEMBL486921 DB07318 "N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE" BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines [H][C@@]1(CCNC(=O)C2=COC=C2)NC2=C(F)C=CC(F)=C2C(N)=N1 99443789 DB07319 "6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenes Organic compounds; Benzenoids; Naphthalenes NC1=NC(=NC(N)=N1)C1=CC2=CC=CC=C2C=C1Br 99443790 DB07320 "4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles [H][C@]1(C)CC[C@]([H])(CC1)NCC1=CC2=C(C=C1)C1=C(C2)C(=NN1)C1=CC=C(C=C1)C(O)=O 99443791 CHEMBL242737 DB07322 "2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID" BE0001534 METAP2 P50579 MAP2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenecarboxylic acids Organic compounds; Benzenoids; Naphthalenes; Naphthalenecarboxylic acids and derivatives OC(=O)C1=C2CCCCC2=CC=C1NS(=O)(=O)C1=CC=CC=C1 99443793 CHEMBL380394 DB07323 "2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID" BE0001534 METAP2 P50579 MAP2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenecarboxylic acids Organic compounds; Benzenoids; Naphthalenes; Naphthalenecarboxylic acids and derivatives CN(C)C\C=C/C1=CC(F)=CC=C1S(=O)(=O)NC1=CC=C2CCCCC2=C1C(O)=O 99443794 DB07324 "3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminopyrimidines and derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives CC1=CC(=NC(N)=N1)C#CC1=C(CNN2C=COC2=O)C=CC=C1 99443795 DB07325 N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminobenzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides CC1=NC(N)=NC(CNS(=O)(=O)C2=CC(N\C=C3/CCOC3=O)=CC=C2)=C1 99443796 DB07330 A-620223 BE0001717 PARP1 P09874 PARP1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles CCCN1CCC(CC1)C1=NC2=CC=CC(C(N)=O)=C2N1 99443801 CHEMBL452800 DB07335 "3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL" BE0001315 PIK3CG P48736 PK3CG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CC(C)N1N=C(C2=C1N=CN=C2N)C1=CC=CC(O)=C1 99443806 CHEMBL1230790 DB07335 "3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL" BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CC(C)N1N=C(C2=C1N=CN=C2N)C1=CC=CC(O)=C1 99443806 CHEMBL1230790 DB07336 4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOL-6-YL]-2-METHOXYPHENOL BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Methoxyphenols Organic compounds; Benzenoids; Phenols; Methoxyphenols COC1=CC(=CC=C1O)C1=CC2=C(C=C1)C(=NN2)C1=NC2=CC=CC=C2N1 99443807 DB07340 Reversine BE0003404 AURKB Q96GD4 AURKB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylmorpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines "Protein Kinase Inhibitors; Oxazines; Heterocyclic Compounds, Fused-Ring" C1CCC(CC1)NC1=NC(NC2=CC=C(C=C2)N2CCOCC2)=NC2=C1N=CN2 99443811 Reversine CHEMBL188343 DB07340 Reversine BE0003809 INCENP Q9NQS7 INCE_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylmorpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines "Protein Kinase Inhibitors; Oxazines; Heterocyclic Compounds, Fused-Ring" C1CCC(CC1)NC1=NC(NC2=CC=C(C=C2)N2CCOCC2)=NC2=C1N=CN2 99443811 Reversine CHEMBL188343 DB07341 "octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-galactopyranoside" BE0000214 ABO P16442 BGAT_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminoglycosides Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@]1(O)C[C@]([H])(O[C@]2([H])[C@@]([H])(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]2([H])OCCCCCCCC)O[C@@]([H])(C)[C@@]1([H])O 99443812 DB07347 4-(2-Aminoethyl)Benzenesulfonyl Fluoride BE0003813 ATP6V1B2 P21281 VATB2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenethylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines Enzyme Inhibitors; Sulfur Compounds NCCC1=CC=C(C=C1)S(F)(=O)=O 99443818 AEBSF CHEMBL1096339 DB07348 Brefeldin A BE0002654 CYTH2 Q99418 CYH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Macrolides and analogues Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues P-glycoprotein inhibitors; Anti-Infective Agents; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Protein Synthesis Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors [H][C@]1(O)C[C@@]2([H])\C=C\CCC[C@]([H])(C)OC(=O)\C=C\[C@@]([H])(O)[C@]2([H])C1 99443819 Brefeldin_A CHEMBL19980 DB07350 (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide BE0001608 HDAC8 Q9BY41 HDAC8_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryl alkyl ketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds CN1C=C(C=C1\C=C\C(=O)NO)C(=O)CC1=CC=CC=C1 99443821 CHEMBL12760 DB07354 "2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM" BE0000971 TOP1 P11387 TOP1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives COC1=C(OC)C=C2C3=C([NH+]=CC2=C1)C1=C(C3)C=C2OCOC2=C1 99443825 DB07357 "4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL" BE0000214 ABO P16442 BGAT_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminoglycosides Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@]1(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O 99443828 DB07360 "1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea" BE0000991 AURKA O14965 AURKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-phenylureas Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas FC(F)(F)C1=CC=CC(NC(=O)NC2=NC=C(CCNC3=NC=NC4=C3SC=C4)S2)=C1 99443831 CHEMBL472193 DB07362 "1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea" BE0000991 AURKA O14965 AURKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-phenylureas Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas CN1N=CC2=C1C(NCCC1=CN=C(NC(=O)NC3=CC=CC(=C3)C(F)(F)F)S1)=NC=N2 99443833 DB07363 "THIOPHENE-2,5-DISULFONIC ACID 2-AMIDE-5-(4-METHYL-BENZYLAMIDE)" BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Toluenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Toluenes CC1=CC=C(CNS(=O)(=O)C2=CC=C(S2)S(N)(=O)=O)C=C1 99443834 DB07369 "N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide" BE0000915 MET P08581 MET_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides CN(C1=CC(Cl)=CC=C1)S(=O)(=O)C1=CC2=C(CC3=C(C)C(C)=C(C)N3)C(=O)N=C2C=C1 99443840 DB07374 Anisomycin BE0003824 RPL13A P40429 RL13A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles Anti-Infective Agents; Pyrrolidines; Nucleic Acid Synthesis Inhibitors; Enzyme Inhibitors; Protein Synthesis Inhibitors; Anti-Bacterial Agents; Antiprotozoals; Antiparasitic Agents [H][C@]1(O)CN[C@]([H])(CC2=CC=C(OC)C=C2)[C@]1([H])OC(C)=O 99443845 Anisomycin CHEMBL423192 DB07374 Anisomycin BE0003835 SNU13 P55769 NH2L1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles Anti-Infective Agents; Pyrrolidines; Nucleic Acid Synthesis Inhibitors; Enzyme Inhibitors; Protein Synthesis Inhibitors; Anti-Bacterial Agents; Antiprotozoals; Antiparasitic Agents [H][C@]1(O)CN[C@]([H])(CC2=CC=C(OC)C=C2)[C@]1([H])OC(C)=O 99443845 Anisomycin CHEMBL423192 DB07376 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) BE0000333 F7 P08709 FA7_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-naphthalene sulfonates Organic compounds; Benzenoids; Naphthalenes; Naphthalene sulfonic acids and derivatives CN(C)C1=C2C=CC=C(C2=CC=C1)S(O)(=O)=O 99443847 DB07377 "N'-((2S,3R)-3-AMINO-2-HYDROXY-5-(ISOPROPYLSULFANYL)PENTANOYL)-N-3-CHLOROBENZOYL HYDRAZIDE" BE0001534 METAP2 P50579 MAP2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Beta amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](N)(CCSC(C)C)[C@]([H])(O)C(=O)NNC(=O)C1=CC(Cl)=CC=C1 99443848 CHEMBL352764 DB07378 "4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL" BE0000214 ABO P16442 BGAT_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminoglycosides Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@]1(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCCCC)[C@]1([H])O 99443849 DB07379 (2S)-2-({6-[(3-Amino-5-chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol BE0002212 CDK6 Q00534 CDK6_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives [H][C@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC(Cl)=CC(N)=C2)=N1)C(C)C 99443850 DB07382 "N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine" BE0003839 ERN1 O75460 ERN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles C1CC1C1=NNC(NC2=CC=NC(NC3=CC4=C(NC=N4)C=C3)=N2)=C1 99443853 DB07384 1-ACETYL-2-CARBOXYPIPERIDINE BE0003840 ATP5A1 P25705 ATPA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acyl-L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@]1(CCCCN1C(C)=O)C(O)=O 99443855 DB07384 1-ACETYL-2-CARBOXYPIPERIDINE BE0003841 ATP5B P06576 ATPB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acyl-L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@]1(CCCCN1C(C)=O)C(O)=O 99443855 DB07385 "3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE" BE0001184 NQO1 P15559 NQO1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H][C@@]1(C)C[N@@]1C1=CC(=O)C2=C(C(CO)=C(N2C)C2=CC=CC=C2)C1=O 99443856 DB07387 3-(BUTYLSULPHONYL)-PROPANOIC ACID BE0003844 TPI1 P60174 TPIS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfones Organic compounds; Organosulfur compounds; Sulfonyls; Sulfones CCCCS(=O)(=O)CCC(O)=O 99443858 DB07388 ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Piperidinecarboxylic acids Organic compounds; Organoheterocyclic compounds; Piperidines; Piperidinecarboxylic acids and derivatives CCOC(=O)N1CCC(CC1)NC1=NC=CC(C)=C1 99443859 CHEMBL420671 DB07389 N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives CC1=CC(N)=NC(CCNC(=O)C2=CC=C(C=C2)C#N)=C1 99443860 CHEMBL1221659 DB07393 "2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE" BE0000648 GSR P00390 GSHR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyridines and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives C1CCC2=C(P(C(=C2C1)C1=NC=CC=C1)C1=CC=CC=C1)C1=NC=CC=C1 99443864 DB07394 AUROVERTIN B BE0003840 ATP5A1 P25705 ATPA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental C-glycosyl compounds Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Pyrans [H][C@]1(CC)O[C@]2(C)[C@]([H])(OC(C)=O)[C@@]1(C)O[C@@]([H])(\C=C\C=C\C=C\C1=C(C)C(OC)=CC(=O)O1)[C@]2([H])O 99443865 DB07394 AUROVERTIN B BE0003841 ATP5B P06576 ATPB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental C-glycosyl compounds Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Pyrans [H][C@]1(CC)O[C@]2(C)[C@]([H])(OC(C)=O)[C@@]1(C)O[C@@]([H])(\C=C\C=C\C=C\C1=C(C)C(OC)=CC(=O)O1)[C@]2([H])O 99443865 DB07397 "(5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide" BE0001182 MMP8 P22894 MMP8_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoxazinones Organic compounds; Organoheterocyclic compounds; Benzoxazines; Benzoxazinones [H][C@@]1(CC(N)=O)CCCC2=C1C1=C(S2)N=C(NC1=O)C(=O)NCC1=CC=C2OCC(=O)NC2=C1 99443868 DB07401 Azoxystrobin BE0001005 UQCRC1 P31930 QCR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenyl-beta-methoxyacrylates Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenyl-beta-methoxyacrylates "Acrylates; Fungicides, Industrial; Electron Transport Complex III; Methacrylates; Acids, Acyclic" CO\C=C(\C(=O)OC)C1=C(OC2=NC=NC(OC3=CC=CC=C3C#N)=C2)C=CC=C1 99443872 Azoxystrobin CHEMBL230001 DB07401 Azoxystrobin BE0003855 UQCRC2 P22695 QCR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenyl-beta-methoxyacrylates Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenyl-beta-methoxyacrylates "Acrylates; Fungicides, Industrial; Electron Transport Complex III; Methacrylates; Acids, Acyclic" CO\C=C(\C(=O)OC)C1=C(OC2=NC=NC(OC3=CC=CC=C3C#N)=C2)C=CC=C1 99443872 Azoxystrobin CHEMBL230001 DB07401 Azoxystrobin BE0003856 UQCRH P07919 QCR6_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenyl-beta-methoxyacrylates Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenyl-beta-methoxyacrylates "Acrylates; Fungicides, Industrial; Electron Transport Complex III; Methacrylates; Acids, Acyclic" CO\C=C(\C(=O)OC)C1=C(OC2=NC=NC(OC3=CC=CC=C3C#N)=C2)C=CC=C1 99443872 Azoxystrobin CHEMBL230001 DB07401 Azoxystrobin BE0003858 UQCRFS1 P47985 UCRI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenyl-beta-methoxyacrylates Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenyl-beta-methoxyacrylates "Acrylates; Fungicides, Industrial; Electron Transport Complex III; Methacrylates; Acids, Acyclic" CO\C=C(\C(=O)OC)C1=C(OC2=NC=NC(OC3=CC=CC=C3C#N)=C2)C=CC=C1 99443872 Azoxystrobin CHEMBL230001 DB07401 Azoxystrobin BE0003859 UQCR11 O14957 QCR10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenyl-beta-methoxyacrylates Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenyl-beta-methoxyacrylates "Acrylates; Fungicides, Industrial; Electron Transport Complex III; Methacrylates; Acids, Acyclic" CO\C=C(\C(=O)OC)C1=C(OC2=NC=NC(OC3=CC=CC=C3C#N)=C2)C=CC=C1 99443872 Azoxystrobin CHEMBL230001 DB07403 "4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-N,N-DIMETHYLBENZAMIDE" BE0003862 PDK1 Q15118 PDK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives CN(C)C(=O)C1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NC(=O)[C@@](C)(O)C(F)(F)F)C(Cl)=C1 99443874 CHEMBL1231132 DB07405 "1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE" BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines NC1=NC2(CCN(CC2)C(=O)C2=CC=C(N=C2)C#N)NC2=C(F)C=CC(F)=C12 99443876 CHEMBL447183 DB07406 "(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE" BE0001373 MAPKAPK2 P49137 MAPK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Beta carbolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyridoindoles [H][C@]1(C)CNC(=O)C2=C1C1=CC(=CC=C1N2)C(=O)NC1=NC(=CS1)C(=O)NCCN(C)C 99443877 DB07419 S-23 BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes "Aniline Compounds; Heterocyclic Compounds, Fused-Ring; Amines; Amides; Isoquinolines" C[C@](O)(COC1=CC=C(Cl)C(F)=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F 99443890 S-23_(drug) CHEMBL512283 DB07421 "4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile" BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Nitrophenyl ethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes [H][C@](O)(NC1=CC(=C(C=C1)C#N)C(F)(F)F)[C@@](C)(O)COC1=CC=C(C=C1)[N+]([O-])=O 99443892 DB07422 (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes C[C@](O)(COC1=C(F)C(F)=C(F)C(F)=C1F)C(=O)NC1=CC=C(C(=C1)C(F)(F)F)[N+]([O-])=O 99443893 CHEMBL124493 DB07423 Andarine BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acetanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "Aniline Compounds; Amines; Phenols; Acids, Acyclic; Amides; Benzene Derivatives; Acetates" CC(=O)NC1=CC=C(OC[C@](C)(O)C(=O)NC2=CC=C(C(=C2)C(F)(F)F)[N+]([O-])=O)C=C1 99443894 Andarine CHEMBL125236 DB07425 Sobetirome BE0000315 THRB P10828 THB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Fatty Acids, Volatile; Lipids; Acids, Acyclic; Fatty Acids; Benzene Derivatives" CC(C)C1=C(O)C=CC(CC2=C(C)C=C(OCC(O)=O)C=C2C)=C1 99443896 CHEMBL107400 DB07430 "(10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one" BE0001373 MAPKAPK2 P49137 MAPK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Bipyridines and oligopyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines [H][C@@]1(C)CNC2=C(SC3=C2C2=C(C=C3)N=C(C=C2)C2=CN=C(C)C=C2)C(=O)N1 99443901 CHEMBL1231206 DB07431 "(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one" BE0001373 MAPKAPK2 P49137 MAPK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thienodiazepines Organic compounds; Organoheterocyclic compounds; Thienodiazepines [H][C@@]1(CN)CNC2=C(SC3=C2C=C(OC)C=C3)C(=O)N1 99443902 CHEMBL555205 DB07431 "(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thienodiazepines Organic compounds; Organoheterocyclic compounds; Thienodiazepines [H][C@@]1(CN)CNC2=C(SC3=C2C=C(OC)C=C3)C(=O)N1 99443902 CHEMBL555205 DB07435 "1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE" BE0003870 POLK Q9UBT6 POLK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrenes Organic compounds; Benzenoids; Pyrenes [H][C@@]1(O)CC2=C3C=CC4=CC=CC5=CC=C(C=C2[C@@]([H])(O)[C@]1([H])O)C3=C45 99443906 DB07444 "6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE" BE0001776 DAPK1 P53355 DAPK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles CC1=CC2=C(C=C1)N(CCCN)C1=C2C2=C(C(=O)NC2=O)C(C)=C1 99443915 DB07447 5beta-dihydrotestosterone BE0003610 AKR1D1 P51857 AK1D1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids Testosterone and derivatives [H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency disease; metabolic 99443918 CHEMBL373357 DB07454 (R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes C[C@](O)(CBr)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F 99443925 CHEMBL296323 DB07455 "N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide" BE0000829 GRIA2 P42262 GRIA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives [H][C@](C)(CNS(C)(=O)=O)C1=CC=C(C=C1)C1=CC=C(C=C1)[C@@]([H])(C)CNS(C)(=O)=O 99443926 DB07456 "3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione" BE0001193 PDPK1 O15530 PDPK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles [H]N1C=C(C2=CC=CC=C12)C1=C(C(=O)N([H])C1=O)C1=CN(CC[C@H]2CCCN2C)C2=CC=CC=C12 99443927 DB07457 "3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE" BE0001193 PDPK1 O15530 PDPK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles NCCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2 99443928 CHEMBL270875 DB07458 "3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione" BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles [H]N1C=C(C2=CC=CC=C12)C1=C(C(=O)N([H])C1=O)C1=CN(CC[C@@H]2CCCN2C)C2=CC=CC=C12 99443929 DB07459 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers O=C(NCC1=NC=CC=C1)C1=CC=C(OC2=CC=CC=C2)C=C1 99443930 CHEMBL199237 DB07460 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE BE0003090 PTK2 Q05397 FAK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylmorpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines CNC(=O)C1=C(NC2=NC(NC3=CC=C(C=C3OC)N3CCOCC3)=NC=C2Cl)C=CC=C1 99443931 CHEMBL458997 DB07462 "(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE" BE0002089 COMT P21964 COMT_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones OC1=CC=C(C(=O)C2=CC=CC=C2)C(=C1O)[N+]([O-])=O 99443933 DB07467 (S)-Indapamide BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides C[C@H]1CC2=C(C=CC=C2)N1NC(=O)C1=CC=C(Cl)C(=C1)S(N)(=O)=O 99443938 DB07468 "(3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one" BE0003893 MYH14 Q7Z406 MYH14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrroloquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Pyrroloquinolines CC1=C2C(=CC=C1)N=C1N(CC[C@@]1(O)C2=O)C1=CC=CC=C1 99443939 DB07469 "(3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one" BE0003893 MYH14 Q7Z406 MYH14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrroloquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Pyrroloquinolines CC1=CC=C2C(=C1)N=C1N(CC[C@@]1(O)C2=O)C1=CC=CC=C1 99443940 DB07470 "(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one" BE0003893 MYH14 Q7Z406 MYH14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrroloquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Pyrroloquinolines O[C@@]12CCN(C1=NC1=C(C=CC=C1)C2=O)C1=CC=CC=C1 99443941 DB07471 "5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles [H][C@](C)(OC1=C(SC(=C1)N1C=NC2=CC(OC)=C(OC)C=C12)C(N)=O)C1=CC=CC=C1Cl 99443942 CHEMBL222419 DB07471 "5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles [H][C@](C)(OC1=C(SC(=C1)N1C=NC2=CC(OC)=C(OC)C=C12)C(N)=O)C1=CC=CC=C1Cl 99443942 CHEMBL222419 DB07474 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE BE0000858 IGF1R P08069 IGF1R_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles CC1=CC(=CC2=C1N=C(N2)C1=C(NCC2=NC=CC=C2)C=CNC1=O)N1C=CN=C1 99443945 CHEMBL397666 DB07476 N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=CC=C2S)C=C1 99443947 CHEMBL386049 DB07479 "(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL" BE0000113 POLB P06746 DPOLB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenanthrols Organic compounds; Benzenoids; Phenanthrenes and derivatives; Phenanthrols [H][C@@]1(O)CC2=C(C=CC3=C2C2=C(C=CC=C2)C=C3)[C@@]([H])(O)[C@]1([H])O 99443950 DB07480 4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes OP(O)(=O)OC1=CC=C(CC2=CC=C(OP(O)(O)=O)C=C2)C=C1 99443951 DB07485 Bisphenol Z BE0002088 ESRRG P62508 ERR3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Cycloparaffins; Benzene Derivatives OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(O)C=C1 99443956 Bisphenol_Z CHEMBL1231453 DB07486 "3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline" BE0000516 ITGAL P20701 ITAL_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Cinnamic acids and derivatives Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives NC1=CC=CC(SC2=CC=C(\C=C\C(=O)N3CCOCC3)C(=C2C(F)(F)F)C(F)(F)F)=C1 99443957 CHEMBL478464 DB07488 "{4-Amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone" BE0003958 CSNK1G3 Q9Y6M4 KC1G3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds COC1=CC=C(C=C1)\N=C1\NC(N)=C(S1)C(=O)C1=CC=C(OC)C=C1 99443959 CHEMBL563377 DB07489 "4-Amino-2-[(3-chlorophenyl)amino]-5-(4-fluorobenzoyl)-1,3-thiazol-3-ium" BE0003958 CSNK1G3 Q9Y6M4 KC1G3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds [H]N([H])C1=C(SC(N([H])C2=CC(Cl)=CC=C2)=[N+]1[H])C(=O)C1=CC=C(F)C=C1 99443960 DB07493 5-Bromoindirubin BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines [H]N1C(=O)\C(C2=C1C=CC(Br)=C2)=C1/N([H])C2=CC=CC=C2C1=O 99443964 CHEMBL1231469 DB07495 "5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CCNC(=O)C1=NNC(=C1C1=CC=C(OC)C=C1)C1=CC(Cl)=C(O)C=C1O 99443966 CHEMBL365617 DB07501 (2S)-1-{4-[(4-Anilino-5-bromo-2-pyrimidinyl)amino]phenoxy}-3-(dimethylamino)-2-propanol BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenol ethers Organic compounds; Benzenoids; Phenol ethers [H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=C(Br)C(=N1)N([H])C1=CC=CC=C1 99443972 DB07502 "4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles OC1=CC2=C(C=C1)C(=NO2)C1=CC(Br)=C(O)C=C1O 99443973 CHEMBL361078 DB07503 "(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE" BE0001315 PIK3CG P48736 PK3CG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzodioxoles Organic compounds; Organoheterocyclic compounds; Benzodioxoles FC1(F)OC2=C(O1)C=C(\C=C1/SC(=O)NC1=O)C=C2 99443974 CHEMBL1231533 DB07504 (2R)-1-{4-[(4-Anilino-5-bromo-2-pyrimidinyl)amino]phenoxy}-3-(dimethylamino)-2-propanol BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=NC=C(Br)C(=N1)N([H])C1=CC=CC=C1 99443975 DB07506 L-BENZYLSUCCINIC ACID BE0003968 SCPEP1 Q9HB40 RISC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids [H][C@](CC(O)=O)(CC1=CC=CC=C1)C(O)=O 99443977 CHEMBL259621 DB07509 difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Medium-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates CCCCCCCCC1=CC=C2C=C3C=CC(CCCCC(O)=O)=[N+]3[B-](F)(F)N12 99443980 DB07520 "N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE" BE0001646 CTSS P25774 CATS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CS(=O)(=O)N1CCOCC1)(N[C@@]([H])(C1=CC=C(F)C=C1)C(F)(F)F)C(=O)NC1(CN)CC1 99443991 DB07525 "3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine" BE0002131 FGFR1 P11362 FGFR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolopyridines Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines COC1=CC=CC(CC2=CNC3=C2C=CC=N3)=C1 99443996 CHEMBL1231606 DB07529 "(5E)-2-Amino-5-(2-pyridinylmethylene)-1,3-thiazol-4(5H)-one" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyridines and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives N=C1NC(=O)\C(S1)=C/C1=CC=CC=N1 99444000 DB07530 "(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol" BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Iridoids and derivatives Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids [H][C@]1(CC[C@](C)(CCC#CC(O)(C(F)(F)F)C(F)(F)F)C1(C)C)\C=C\C=C1C[C@](O)([H])C[C@@](O)([H])C1 99444001 DB07530 "(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol" BE0000779 VDR P11473 VDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Iridoids and derivatives Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids [H][C@]1(CC[C@](C)(CCC#CC(O)(C(F)(F)F)C(F)(F)F)C1(C)C)\C=C\C=C1C[C@](O)([H])C[C@@](O)([H])C1 99444001 DB07531 "4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=O)NC1=O 99444002 CHEMBL232148 DB07533 "4-{5-[(Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl]-2-Furyl}-N-Methylbenzenesulfonamide" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides CNS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O 99444004 CHEMBL233553 DB07533 "4-{5-[(Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl]-2-Furyl}-N-Methylbenzenesulfonamide" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides CNS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O 99444004 CHEMBL233553 DB07534 "4-{5-[(Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl]furan-2-Yl}benzenesulfonamide" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O 99444005 CHEMBL233149 DB07534 "4-{5-[(Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl]furan-2-Yl}benzenesulfonamide" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O 99444005 CHEMBL233149 DB07538 "4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=CC=C(C=C1C(F)(F)F)C1=CC=C(O1)\C=C1/SC(=N)NC1=O 99444009 CHEMBL233970 DB07538 "4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=CC=C(C=C1C(F)(F)F)C1=CC=C(O1)\C=C1/SC(=N)NC1=O 99444009 CHEMBL233970 DB07539 "4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives OC(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O 99444010 CHEMBL233349 DB07539 "4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives OC(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O 99444010 CHEMBL233349 DB07540 "4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides C\C(C1=CC=C(O1)C1=CC=C(C=C1)S(N)(=O)=O)=C1\SC(=N)NC1=O 99444011 CHEMBL231950 DB07544 N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE BE0000517 BCAT1 P54687 BCAT1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides FC(F)(F)C1=CC=CC=C1S(=O)(=O)NNC(=O)C1=CC2=CC(Cl)=CC=C2O1 99444015 CHEMBL1231666 DB07545 N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE BE0000991 AURKA O14965 AURKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes FC(F)(F)C1=CC=CC(NC2=NC(NC3=CC(NC(=O)C4CC4)=CC=C3)=NC=C2)=C1 99444016 CHEMBL383899 DB07546 [1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid BE0003984 CSNK2A2 P19784 CSK22_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indazoles Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles CC(C)NC1=CC2=C(C=NN2C2=NC(=CN=C2)N2C=CC(CC(O)=O)=C2)C=C1 99444017 CHEMBL1231683 DB07557 "3,20-Pregnanedione" BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C 99444028 CHEMBL486954 DB07557 "3,20-Pregnanedione" BE0000412 RXRA P19793 RXRA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C 99444028 CHEMBL486954 DB07557 "3,20-Pregnanedione" BE0003610 AKR1D1 P51857 AK1D1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C 99444028 CHEMBL486954 DB07558 acetylleucyl-leucyl-norleucinal BE0003916 PSMA7 O14818 PSA7_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Protease Inhibitors; Enzyme Inhibitors; Oligopeptides; Peptides; NF-kappa B, antagonists & inhibitors; Cysteine Proteinase Inhibitors; Amino Acids, Peptides, and Proteins" [H]C(=O)[C@H](CCCC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O 99444029 CHEMBL304784 DB07562 "N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,4,5-trisubstituted thiazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles CN(C)C1=CC=C(NC2=NC(=CC=N2)C2=C(C)N=C(C)S2)C=C1 99444033 CHEMBL46817 DB07562 "N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,4,5-trisubstituted thiazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles CN(C)C1=CC=C(NC2=NC(=CC=N2)C2=C(C)N=C(C)S2)C=C1 99444033 CHEMBL46817 DB07567 "(2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL" BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-hydroxyflavonoids Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids [H][C@@]1(C)C2=CC(O)=CC=C2O[C@@]([H])(C2=CC=C(OCCN3CCCC3)C=C2)[C@@]1([H])C1=CC=C(O)C=C1 99444038 CHEMBL181936 DB07574 "2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE" BE0004003 STMN4 Q9H169 STMN4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tropones Organic compounds; Hydrocarbon derivatives; Tropones [H][C@@]1(CCC2=C(C(OC)=C(OC)C(OC)=C2)C2=CC=C(OC)C(=O)C=C12)NC(=O)CS 99444045 DB07574 "2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE" BE0001388 TUBA1C Q9BQE3 TBA1C_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tropones Organic compounds; Hydrocarbon derivatives; Tropones [H][C@@]1(CCC2=C(C(OC)=C(OC)C(OC)=C2)C2=CC=C(OC)C(=O)C=C12)NC(=O)CS 99444045 DB07583 "(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE" BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives [H][C@@]1(CNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C[C@]([H])(CN1)OCC1=CC=C(Cl)C=C1 99444054 DB07583 "(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE" BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives [H][C@@]1(CNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C[C@]([H])(CN1)OCC1=CC=C(Cl)C=C1 99444054 DB07584 "N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine" BE0000428 AKT1 P31749 AKT1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Phenyl-1,2,4-triazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles CC1=NN=C(N1)C1=CC=CC=C1NC1=NC=NC2=C1C=CN2 99444055 CHEMBL428963 DB07584 "N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine" BE0001065 GSK3B P49841 GSK3B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Phenyl-1,2,4-triazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles CC1=NN=C(N1)C1=CC=CC=C1NC1=NC=NC2=C1C=CN2 99444055 CHEMBL428963 DB07585 "5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine" BE0000428 AKT1 P31749 AKT1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Imidazopyridines Organic compounds; Organoheterocyclic compounds; Imidazopyridines ClC1=CNC2=C1C(=NC=N2)N1CCC2=C(C1)N=CN2 99444056 CHEMBL259833 DB07585 "5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine" BE0001065 GSK3B P49841 GSK3B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Imidazopyridines Organic compounds; Organoheterocyclic compounds; Imidazopyridines ClC1=CNC2=C1C(=NC=N2)N1CCC2=C(C1)N=CN2 99444056 CHEMBL259833 DB07586 "5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE" BE0001608 HDAC8 Q9BY41 HDAC8_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides CN(C)C(=O)C1=CC(=CC(NC(=O)C2=CC=C(C)C=C2)=C1)C1=CC=C(C=C1)C(=O)NO 99444057 DB07587 "N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE" BE0001646 CTSS P25774 CATS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CS(=O)(=O)C[C@]1([H])CCC(=O)N1)(N[C@@]([H])(C1=CC=C(F)C=C1)C(F)(F)F)C(=O)NC1(CC1)C#N 99444058 DB07589 "N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE" BE0001646 CTSS P25774 CATS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CS(=O)(=O)CC1=CC=CC=C1)(N[C@@]([H])(C1=CC=C(O)C=C1)C(F)(F)F)C(=O)NC1(CN)CC1 99444060 DB07594 CCT-018159 BE0001898 HSP90AB1 P08238 HS90B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles "Heterocyclic Compounds, Fused-Ring" CCC1=C(O)C=C(O)C(=C1)C1=C(C(C)=NN1)C1=CC2=C(OCCO2)C=C1 99444065 CHEMBL399530 DB07594 CCT-018159 BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles "Heterocyclic Compounds, Fused-Ring" CCC1=C(O)C=C(O)C(=C1)C1=C(C(C)=NN1)C1=CC2=C(OCCO2)C=C1 99444065 CHEMBL399530 DB07595 "(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives BrC1=CC=CC(=C1)C1=NC2=[N+](NC=C2)C(NCC2=CC=NC=C2)=C1 99444066 DB07596 "(17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate" BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids [H][C@]1(CC#N)CC[C@@]2([H])[C@]3([H])CCC4=CC(OS(N)(=O)=O)=C(OC)C=C4[C@@]3([H])CC[C@]12C 99444067 CHEMBL408967 DB07598 "2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE" BE0000829 GRIA2 P42262 GRIA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoxazines Organic compounds; Organoheterocyclic compounds; Benzoxazines [H][C@@]12CCCN1C(=O)C1=C(O2)C=C2OCCOC2=C1 99444069 DB07601 "4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzisoxazoles Organic compounds; Organoheterocyclic compounds; Benzisoxazoles OC1=CC(O)=C(Cl)C=C1C1=NOC2=C1C=C(NCCN1CCOCC1)C=C2 99444072 CHEMBL404630 DB07602 S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE BE0000767 EGFR P00533 EGFR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-cysteine-S-conjugates "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](N)(CSCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC1=CC=CC=C1)C(O)=O 99444073 DB07604 "(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE" BE0003888 ATP2A1 O14983 AT2A1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles [H][C@@]12CC3=C4C(NC=C4[C@]1([H])[C@]1([H])N(C(O)=C(C(C)=O)C1=O)C2(C)C)=CC=C3 99444075 DB07605 "2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE" BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thienopyridines Organic compounds; Organoheterocyclic compounds; Thienopyridines [O-][N+]1=CC=CC2=C1C=C(S2)C(=O)N1CCN(CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2N1 99444076 DB07606 "6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CCC1=NN(C2=C1C(=O)NC(CC1=CC(O)=C(O)C=C1)=N2)C1=C(Cl)C=C(Cl)C=C1Cl 99444077 CHEMBL425181 DB07607 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC(I)=CC=C1)C1=CC=NC=C1 99444078 DB07608 N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide BE0004012 DYRK1A Q13627 DYR1A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Gamma amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CCN)(C(=O)NC1=CC=C2NN=C(NC(=O)C3=CC=CC=C3)C2=C1)C1=CC(Cl)=CC=C1 99444079 DB07612 6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines CC(C)(C)NC1=NC(=NC2=C1C=C(C=C2)C1=CC=CC(N)=C1)C(F)(F)F 99444083 CHEMBL278894 DB07618 "2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" NCC1CCN(CC(=O)NC2=CC=CC3=C2C(=O)C2=C(NN=C32)C2CCCCC2)CC1 99444089 CHEMBL356700 DB07619 "N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide" BE0000329 HSD11B1 P28845 DHI1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives [H][C@@]1(CC[C@@]([H])(CC1)C1=CC=CN=C1)N(C1CC1)C(=O)C1=CC=C(C=C1)[C@](C)(O)C(F)(F)F 99444090 CHEMBL452587 DB07622 "1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,4,5-trisubstituted thiazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles CN1CCN(CC1)NC(=O)NC1=CC=CC2=C1C(=O)C1=C(NN=C21)C1=C(C)N=C(C)S1 99444093 CHEMBL325023 DB07624 "1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide" BE0000329 HSD11B1 P28845 DHI1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides [H][C@@]1(C)CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)C1=CC=C(C=C1)[C@](C)(O)C(F)(F)F 99444095 CHEMBL460962 DB07627 (2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-N-((3S)-TETRAHYDRO-2-HYDROXY-3-FURANYL)PENTANAMIDE BE0003346 CAPN1 P07384 CAN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Leucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CC(C)C)(NC(=S)NC1=CC=CC=C1)C(=O)N[C@]1([H])CO[C@]([H])(O)C1 99444098 DB07628 "6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one" BE0000088 PKM P14618 KPYM_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thienopyrroles Organic compounds; Organoheterocyclic compounds; Thienopyrroles CN1C2=C(SC(C)=C2)C2=C1C(=O)N(CC1=CC=CC=C1F)N=C2 99444099 CHEMBL1084625 DB07629 "N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE" BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolecarboxamides and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives [H][C@@]1(CCCC[C@@]1([H])NC(=O)C1=NC2=C(CN(C)CC2)S1)NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2 99444100 CHEMBL245678 DB07630 "N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE" BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolecarboxamides and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives [H][C@]1(CCCC[C@@]1([H])NC(=O)C1=NC2=C(CN(C)CC2)S1)NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2 99444101 CHEMBL391805 DB07632 "5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide" BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thiadiazole sulfonamides Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles NS(=O)(=O)C1=NN=C(S1)C1=CC=CC=C1Cl 99444103 CHEMBL360356 DB07633 octyl 3-deoxy-2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-xylo-hexopyranoside BE0000214 ABO P16442 BGAT_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental O-glycosyl compounds Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@@]1(O)C[C@@]([H])(O[C@]2([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(OCCCCCCCC)O[C@]1([H])CO 99444104 DB07636 "5-Heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione" BE0003858 UQCRFS1 P47985 UCRI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental CCCCCCCC1=C(O)C2=C(SC=N2)C(=O)C1=O 99444107 DB07638 "(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL" BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-hydroxyflavonoids Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids [H][C@@]12CC(F)(F)C[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1 99444109 CHEMBL236718 DB07638 "(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL" BE0000792 ESR2 Q92731 ESR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-hydroxyflavonoids Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids [H][C@@]12CC(F)(F)C[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1 99444109 CHEMBL236718 DB07642 "5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine" BE0001215 DCPS Q96C86 DCPS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines NC1=NC2=CC=CC(OCC3CCN(CC4=CC=CC=C4F)CC3)=C2C(N)=N1 99444113 CHEMBL251429 DB07643 "5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine" BE0001215 DCPS Q96C86 DCPS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines NC1=NC2=C(C(N)=N1)C(OCC1CCN(CC3=C(Cl)C(Cl)=CC=C3)CC1)=CC=C2 99444114 CHEMBL1232147 DB07644 "5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine" BE0001215 DCPS Q96C86 DCPS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines [H][C@@](C)(OC1=C2C(N)=NC(N)=NC2=CC=C1)C1=CC(Cl)=CC=C1 99444115 CHEMBL253976 DB07647 "(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrroles Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles [H][C@](C)(O)CNC1=C2C(NC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1 99444118 DB07648 "(2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrroles Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles [H][C@](O)(CO)CNC1=C2C(NC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1 99444119 DB07651 N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(C)=O)C(N)=O 99444122 CHEMBL196526 DB07652 "1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-5-METHYL-BENZENE-5'MONOPHOSPHATE" BE0003870 POLK Q9UBT6 POLK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental C-glycosyl compounds Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)C1=CC(C)=C(F)C=C1F 99444123 DB07653 "N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,3-diphenylfurans" Organic compounds; Organoheterocyclic compounds; Furans; Diphenylfurans OC(=O)CNC1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1 99444124 CHEMBL363302 DB07654 "(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,3-diphenylfurans" Organic compounds; Organoheterocyclic compounds; Furans; Diphenylfurans CN(CCO)C1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1 99444125 CHEMBL364811 DB07655 "3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrroles Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles OCCNC1=NC=NC2=C1C(=C(N2)C1=CC=CC=C1)C1=CC=CC=C1 99444126 CHEMBL366312 DB07657 PHOSPHONIC ACID 2-DODECANOYLAMINO-HEXYL ESTER PROPYL ESTER BE0003997 PLA2G1B P04054 PA21B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phosphoethanolamines Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters [H][C@@](CCCC)(CO[P@](O)(=O)OCCO)NC(=O)CCCCCCCCCCC 99444128 DB07662 PD-168393 BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Heterocyclic Compounds, Fused-Ring" BrC1=CC(NC2=C3C=C(NC(=O)C=C)C=CC3=NC=N2)=CC=C1 99444133 CHEMBL285063 DB07662 PD-168393 BE0000767 EGFR P00533 EGFR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Heterocyclic Compounds, Fused-Ring" BrC1=CC(NC2=C3C=C(NC(=O)C=C)C=CC3=NC=N2)=CC=C1 99444133 CHEMBL285063 DB07664 K-00546 BE0003958 CSNK1G3 Q9Y6M4 KC1G3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NC1=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=NN1C(=S)NC1=C(F)C=CC=C1F 99444135 CHEMBL261720 DB07664 K-00546 BE0004041 SLK Q9H2G2 SLK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NC1=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=NN1C(=S)NC1=C(F)C=CC=C1F 99444135 CHEMBL261720 DB07664 K-00546 BE0004042 CAMK4 Q16566 KCC4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NC1=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=NN1C(=S)NC1=C(F)C=CC=C1F 99444135 CHEMBL261720 DB07664 K-00546 BE0000435 ABL2 P42684 ABL2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NC1=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=NN1C(=S)NC1=C(F)C=CC=C1F 99444135 CHEMBL261720 DB07675 (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-substituted phenoxazines Organic compounds; Organoheterocyclic compounds; Benzoxazines; Phenoxazines [H][C@@](CC1=CC=C(OCCN2C3=C(OC4=C2C=CC=C4)C=CC=C3)C=C1)(OCC)C(O)=O 99444146 CHEMBL24038 DB07676 "3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one" BE0001065 GSK3B P49841 GSK3B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles OC[C@@H](O)CCONC1=C(NC2=CC=CC=C12)C1=C2C=CC=CC2=NC1=O 99444147 DB07676 "3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one" BE0004042 CAMK4 Q16566 KCC4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles OC[C@@H](O)CCONC1=C(NC2=CC=CC=C12)C1=C2C=CC=CC2=NC1=O 99444147 DB07678 "(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL" BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids [H]\C(CC)=C(/[H])C1=C(O)C=C2CC[C@@]3([H])[C@]4([H])CC[C@]([H])(O)[C@@]4(C)CC[C@]3([H])C2=C1 99444149 DB07678 "(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL" BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids [H]\C(CC)=C(/[H])C1=C(O)C=C2CC[C@@]3([H])[C@]4([H])CC[C@]([H])(O)[C@@]4(C)CC[C@]3([H])C2=C1 99444149 DB07681 DODECANESULFONATE ION BE0002180 BCHE P06276 CHLE_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Organosulfonic acids Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives CCCCCCCCCCCCS([O-])(=O)=O 99444152 DB07684 5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID BE0001088 PLAT P00750 TPA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-naphthalene sulfonates Organic compounds; Benzenoids; Naphthalenes; Naphthalene sulfonic acids and derivatives CN(C)C1=C2C=CC(=CC2=CC=C1)S(O)(=O)=O 99444155 DB07685 "4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=CC=C(NC2=CC(OCC3CCCCC3)=NC3=NC=NN23)C=C1 99444156 CHEMBL206109 DB07686 "4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=CC=C(NC2=CC(NC3CCCCC3)=NC3=NC=NN23)C=C1 99444157 CHEMBL203569 DB07687 "4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)BENZENESULFONAMIDE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides [H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC2=NC=NN2C(NC2=CC=C(C=C2)S(N)(=O)=O)=C1 99444158 CHEMBL380331 DB07688 "4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=CC=C(NC2=CC(OC3CCCCC3)=NC3=NC=NN23)C=C1 99444159 CHEMBL203407 DB07688 "4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=CC=C(NC2=CC(OC3CCCCC3)=NC3=NC=NN23)C=C1 99444159 CHEMBL203407 DB07691 "2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid" BE0001007 PPARD Q03181 PPARD_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides OC(=O)C1=C(NC(=O)C2=CC=CC(=C2)S(=O)(=O)N2CCC3=CC=CC=C3C2)C=CC=C1 99444162 CHEMBL523395 DB07692 "1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine" BE0000088 PKM P14618 KPYM_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides FC1=CC=CC(F)=C1S(=O)(=O)N1CCN(CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1 99444163 CHEMBL1090777 DB07696 methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate BE0001162 CASP3 P42574 CASP3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Gamma-keto acids and derivatives Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives [H][C@@](CC(=O)OC)(NC(=O)OC(C)(C)C)C(C)=O 99444167 DB07697 "1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine" BE0000088 PKM P14618 KPYM_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides COC1=CC=C(C=C1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1 99444168 CHEMBL1088762 DB07700 "3-carboxamido-1,3,5(10)-estratrien-17(R)-spiro-2'(5',5'-dimethyl-6'oxo)tetrahydropyran" BE0000592 AKR1C3 P42330 AK1C3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Steroids and steroid derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives [H][C@@]12CC[C@@]3(CCC(C)(C)C(=O)O3)[C@@]1(C)CC[C@]1([H])C3=CC=C(C=C3CC[C@@]21[H])C(N)=O 99444171 CHEMBL521703 DB07702 17alpha-Estriol BE0004057 NCOA5 Q9HCD5 NCOA5_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids [H][C@@]12C[C@@H](O)[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 99444173 CHEMBL1232445 DB07702 17alpha-Estriol BE0000792 ESR2 Q92731 ESR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids [H][C@@]12C[C@@H](O)[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 99444173 CHEMBL1232445 DB07705 (S)-econazole BE0000875 CYP51A1 Q16850 CP51A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers ClC1=CC=C(CO[C@H](CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 99444176 DB07707 "(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL" BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids [H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])[C@@]([H])(COC)C[C@]12C 99444178 DB07707 "(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL" BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids [H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])[C@@]([H])(COC)C[C@]12C 99444178 DB07708 3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles OC1=CC=C(C=C1)N1N=C2C=CC(O)=CC2=C1Cl 99444179 CHEMBL180071 DB07708 3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles OC1=CC=C(C=C1)N1N=C2C=CC(O)=CC2=C1Cl 99444179 CHEMBL180071 DB07710 PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](N)(CC1=CC=CC=C1)C(=O)NCCOCCOCCNC(=O)C1=CC=C(C=C1)S(N)(=O)=O 99444181 CHEMBL1160965 DB07711 "(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol" BE0002214 ADA P00813 ADA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives [H][C@@](C)(O)[C@@]([H])(CCCCCC)N1C=NC2=C(N)N=CN=C12 99444182 CHEMBL296435 DB07712 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CCC1=C2C=C(O)C=CC2=NN1C1=CC=C(O)C=C1 99444183 CHEMBL180517 DB07712 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CCC1=C2C=C(O)C=CC2=NN1C1=CC=C(O)C=C1 99444183 CHEMBL180517 DB07713 "(1S)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid" BE0001182 MMP8 P22894 MMP8_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives COC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@H](C(C)C)P(O)(O)=O 99444184 CHEMBL382201 DB07714 "6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID" BE0000648 GSR P00390 GSHR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthoquinones Organic compounds; Benzenoids; Naphthalenes; Naphthoquinones CC1=C(CCCCCC(O)=O)C(=O)C2=CC=CC=C2C1=O 99444185 CHEMBL135287 DB07715 Emodin BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Hydroxyanthraquinones Organic compounds; Benzenoids; Anthracenes; Anthraquinones Plant Preparations; Biological Products; Quinones; Plant Extracts; Anthraquinones; Enzyme Inhibitors; Laxatives; Anthracenes; Gastrointestinal Agents; Protein Kinase Inhibitors CC1=CC(O)=C2C(=O)C3=C(C=C(O)C=C3O)C(=O)C2=C1 99444186 Emodin CHEMBL289277 DB07715 Emodin BE0003721 AHR P35869 AHR_HUMAN agonist 14644660 "Zhang S, Qin C, Safe SH: Flavonoids as aryl hydrocarbon receptor agonists/antagonists: effects of structure and cell context. Environ Health Perspect. 2003 Dec;111(16):1877-82." Investigational Hydroxyanthraquinones Organic compounds; Benzenoids; Anthracenes; Anthraquinones Plant Preparations; Biological Products; Quinones; Plant Extracts; Anthraquinones; Enzyme Inhibitors; Laxatives; Anthracenes; Gastrointestinal Agents; Protein Kinase Inhibitors CC1=CC(O)=C2C(=O)C3=C(C=C(O)C=C3O)C(=O)C2=C1 99444186 Emodin CHEMBL289277 DB07717 "(5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE" BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids [H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12CCOCC1=CC(F)=CC(F)=C1 99444188 CHEMBL485835 DB07719 "[(3R)-3-(Methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfamic acid" BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H]N(C)C(=O)[C@H]1CC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)N([H])S(O)(=O)=O 99444190 DB07720 Epibatidine BE0003585 CHRNA3 P32297 ACHA3_HUMAN agonist 9454827 "Stauderman KA, Mahaffy LS, Akong M, Velicelebi G, Chavez-Noriega LE, Crona JH, Johnson EC, Elliott KJ, Gillespie A, Reid RT, Adams P, Harpold MM, Corey-Naeve J: Characterization of human recombinant neuronal nicotinic acetylcholine receptor subunit combinations alpha2beta4, alpha3beta4 and alpha4beta4 stably expressed in HEK293 cells. J Pharmacol Exp Ther. 1998 Feb;284(2):777-89." Experimental Epibatidine analogues Organic compounds; Alkaloids and derivatives; Epibatidine analogues "Cholinergic Agonists; Sensory System Agents; Central Nervous System Agents; Nicotinic Agonists; Neurotransmitter Agents; Analgesics, Non-Narcotic; Cholinergic Agents; Peripheral Nervous System Agents; Analgesics" [H][C@@]12CC[C@@]([H])(N1)[C@]([H])(C2)C1=CC=C(Cl)N=C1 99444191 Epibatidine CHEMBL298826 DB07720 Epibatidine BE0000849 CHRNA4 P43681 ACHA4_HUMAN agonist 9454827 "Stauderman KA, Mahaffy LS, Akong M, Velicelebi G, Chavez-Noriega LE, Crona JH, Johnson EC, Elliott KJ, Gillespie A, Reid RT, Adams P, Harpold MM, Corey-Naeve J: Characterization of human recombinant neuronal nicotinic acetylcholine receptor subunit combinations alpha2beta4, alpha3beta4 and alpha4beta4 stably expressed in HEK293 cells. J Pharmacol Exp Ther. 1998 Feb;284(2):777-89." Experimental Epibatidine analogues Organic compounds; Alkaloids and derivatives; Epibatidine analogues "Cholinergic Agonists; Sensory System Agents; Central Nervous System Agents; Nicotinic Agonists; Neurotransmitter Agents; Analgesics, Non-Narcotic; Cholinergic Agents; Peripheral Nervous System Agents; Analgesics" [H][C@@]12CC[C@@]([H])(N1)[C@]([H])(C2)C1=CC=C(Cl)N=C1 99444191 Epibatidine CHEMBL298826 DB07723 3-(5-methoxy-1H-indol-3-yl)propanoic acid BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolyl carboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives COC1=CC=C2NC=C(CCC(O)=O)C2=C1 99444194 DB07724 Indeglitazar BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolyl carboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives COC1=CC=C(C=C1)S(=O)(=O)N1C=C(CCC(O)=O)C2=CC(OC)=CC=C12 99444195 Plexxikon CHEMBL1232583 DB07724 Indeglitazar BE0000071 PPARA Q07869 PPARA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolyl carboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives COC1=CC=C(C=C1)S(=O)(=O)N1C=C(CCC(O)=O)C2=CC(OC)=CC=C12 99444195 Plexxikon CHEMBL1232583 DB07724 Indeglitazar BE0001007 PPARD Q03181 PPARD_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolyl carboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives COC1=CC=C(C=C1)S(=O)(=O)N1C=C(CCC(O)=O)C2=CC(OC)=CC=C12 99444195 Plexxikon CHEMBL1232583 DB07724 Indeglitazar BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolyl carboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives COC1=CC=C(C=C1)S(=O)(=O)N1C=C(CCC(O)=O)C2=CC(OC)=CC=C12 99444195 Plexxikon CHEMBL1232583 DB07728 "2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE" BE0001373 MAPKAPK2 P49137 MAPK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines FC1=C(C=CC=C1)C1=CC(=CC=N1)C1=CC2=C(CCNC2=O)N1 99444199 CHEMBL226471 DB07728 "2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE" BE0004064 MAPKAPK3 Q16644 MAPK3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines FC1=C(C=CC=C1)C1=CC(=CC=N1)C1=CC2=C(CCNC2=O)N1 99444199 CHEMBL226471 DB07730 "5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE" BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-hydroxy-4-unsubstituted benzenoids Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids OC1=CC(=CC=C1)C1=CC(=O)NS1(=O)=O 99444201 DB07731 CAN-508 BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-hydroxy-2-unsubstituted benzenoids Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids "Cyclin-Dependent Kinase 9, antagonists & inhibitors" NC1=C(\N=N\C2=CC=C(O)C=C2)C(N)=NN1 99444202 CHEMBL215205 DB07740 "(7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid" BE0004067 HMGCS1 Q01581 HMCS1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H]C(C(O)=O)=C(C)C(\[H])=C(/C)C[C@]([H])(C)CCCC[C@@]([H])(O)[C@@]([H])(CO)C=O 99444211 DB07742 "N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE" BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-benzylbenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=CC(F)=C1F 99444213 DB07746 3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID BE0001534 METAP2 P50579 MAP2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides CCC1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C(C(O)=O)=C1C 99444217 CHEMBL230172 DB07750 "(2R)-1-[4-({4-[(2,5-Dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dichlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes [H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)N([H])C1=C(Cl)C=CC(Cl)=C1 99444221 DB07751 "(2S)-1-[4-({6-[(2,6-Difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenol ethers Organic compounds; Benzenoids; Phenol ethers [H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=CC(=NC=N1)N([H])C1=C(F)C=CC=C1F 99444222 DB07754 DCFBC BE0000568 FOLH1 Q04609 FOLH1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Glutamic acid and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" OC(=O)CC[C@H](NC(=O)N[C@@H](CSCC1=CC=C(F)C=C1)C(O)=O)C(O)=O 99444225 DB07755 "(2S)-1-[4-({4-[(2,5-Dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)N([H])C1=C(Cl)C=CC(Cl)=C1 99444226 DB07757 "(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one" BE0000792 ESR2 Q92731 ESR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Fluorenes Organic compounds; Benzenoids; Fluorenes CCCC[C@]12CC3=CC(O)=CC=C3C1=C(Br)C(=O)CC2 99444228 CHEMBL211614 DB07761 "(2R)-1-[4-({6-[(2,6-Difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=CC(=NC=N1)N([H])C1=C(F)C=CC=C1F 99444232 DB07763 "(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE" BE0001005 UQCRC1 P31930 QCR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylhydrazines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(F)C=C1F 99444234 DB07763 "(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE" BE0003855 UQCRC2 P22695 QCR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylhydrazines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(F)C=C1F 99444234 DB07763 "(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE" BE0003856 UQCRH P07919 QCR6_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylhydrazines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(F)C=C1F 99444234 DB07763 "(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE" BE0003858 UQCRFS1 P47985 UCRI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylhydrazines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(F)C=C1F 99444234 DB07763 "(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE" BE0003859 UQCR11 O14957 QCR10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylhydrazines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(F)C=C1F 99444234 DB07766 "(2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-{O-[(3R)-3,4-dihydroxybutyl]oxime}" BE0004076 CAMK2A Q9UQM7 KCC2A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines [H]N1C(=O)\C(C2=C1C=CC=C2)=C1/N([H])C2=CC=CC=C2/C/1=N\OCC[C@@]([H])(O)CO 99444237 DB07768 Epitestosterone BE0000622 AKR1C2 P52895 AK1C2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "Fused-Ring Compounds; Androstenols; Gonadal Steroid Hormones; Gonadal Hormones; Androstanes; Steroids; Androstenes; Testosterone Congeners; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 99444239 Epitestosterone CHEMBL196228 DB07769 S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes C[C@](O)(COC1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F 99444240 CHEMBL124718 DB07771 "[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID" BE0004071 KRAS P01116 RASK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sesquiterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids CC(C)=CCC\C(C)=C\CC\C(C)=C\CONC(=O)CP(O)(O)=O 99444242 DB07771 "[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID" BE0002373 FNTA P49354 FNTA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sesquiterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids CC(C)=CCC\C(C)=C\CC\C(C)=C\CONC(=O)CP(O)(O)=O 99444242 DB07771 "[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID" BE0002372 FNTB P49356 FNTB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sesquiterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids CC(C)=CCC\C(C)=C\CC\C(C)=C\CONC(=O)CP(O)(O)=O 99444242 DB07772 "(1R)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid" BE0001182 MMP8 P22894 MMP8_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental COC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O 99444243 CHEMBL202932 DB07776 Flavone BE0003722 ESRRA P11474 ERR1_HUMAN agonist 14638870 "Suetsugi M, Su L, Karlsberg K, Yuan YC, Chen S: Flavone and isoflavone phytoestrogens are agonists of estrogen-related receptors. Mol Cancer Res. 2003 Nov;1(13):981-91." Approved; Experimental Flavones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "Chromones; Flavones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans; Flavonoids" O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1 99444247 Flavones CHEMBL275638 1536070 DB07776 Flavone BE0005001 ESRRB O95718 ERR2_HUMAN agonist 14638870 "Suetsugi M, Su L, Karlsberg K, Yuan YC, Chen S: Flavone and isoflavone phytoestrogens are agonists of estrogen-related receptors. Mol Cancer Res. 2003 Nov;1(13):981-91." Approved; Experimental Flavones Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "Chromones; Flavones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans; Flavonoids" O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1 99444247 Flavones CHEMBL275638 1536070 DB07778 (S)-famoxadone BE0001005 UQCRC1 P31930 QCR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1 99444249 CHEMBL10118 DB07778 (S)-famoxadone BE0003855 UQCRC2 P22695 QCR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1 99444249 CHEMBL10118 DB07778 (S)-famoxadone BE0003856 UQCRH P07919 QCR6_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1 99444249 CHEMBL10118 DB07778 (S)-famoxadone BE0003858 UQCRFS1 P47985 UCRI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1 99444249 CHEMBL10118 DB07778 (S)-famoxadone BE0003859 UQCR11 O14957 QCR10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1 99444249 CHEMBL10118 DB07780 Farnesyl diphosphate BE0002373 FNTA P49354 FNTA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sesquiterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Terpenes CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Hyper-IgD Syndrome; Hereditary Coproporphyria (HCP); Porphyria Variegata (PV); Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Acute Intermittent Porphyria; Risedronate Action Pathway; Mevalonic Aciduria; Porphyrin Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; CHILD Syndrome; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Wolman Disease; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 99444251 Farnesyl_pyrophosphate CHEMBL69330 DB07780 Farnesyl diphosphate BE0002372 FNTB P49356 FNTB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sesquiterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Terpenes CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Hyper-IgD Syndrome; Hereditary Coproporphyria (HCP); Porphyria Variegata (PV); Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Acute Intermittent Porphyria; Risedronate Action Pathway; Mevalonic Aciduria; Porphyrin Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; CHILD Syndrome; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Wolman Disease; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 99444251 Farnesyl_pyrophosphate CHEMBL69330 DB07780 Farnesyl diphosphate BE0004071 KRAS P01116 RASK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sesquiterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Terpenes CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Hyper-IgD Syndrome; Hereditary Coproporphyria (HCP); Porphyria Variegata (PV); Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Acute Intermittent Porphyria; Risedronate Action Pathway; Mevalonic Aciduria; Porphyrin Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; CHILD Syndrome; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Wolman Disease; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 99444251 Farnesyl_pyrophosphate CHEMBL69330 DB07780 Farnesyl diphosphate BE0000776 FDPS P14324 FPPS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sesquiterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Terpenes CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Hyper-IgD Syndrome; Hereditary Coproporphyria (HCP); Porphyria Variegata (PV); Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Acute Intermittent Porphyria; Risedronate Action Pathway; Mevalonic Aciduria; Porphyrin Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; CHILD Syndrome; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Wolman Disease; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 99444251 Farnesyl_pyrophosphate CHEMBL69330 DB07780 Farnesyl diphosphate BE0004073 RABGGTB P53611 PGTB2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sesquiterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Terpenes CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O "Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Hyper-IgD Syndrome; Hereditary Coproporphyria (HCP); Porphyria Variegata (PV); Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Acute Intermittent Porphyria; Risedronate Action Pathway; Mevalonic Aciduria; Porphyrin Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; CHILD Syndrome; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Wolman Disease; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway" disease; metabolic; drug_action 99444251 Farnesyl_pyrophosphate CHEMBL69330 DB07783 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE BE0002214 ADA P00813 ADA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles [H][C@](CO)(CCN1C=CC2=C1C=C(NC(=O)CCC1=CC=CC=C1)C=C2)N1C=NC(=C1)C(N)=O 99444254 CHEMBL338076 DB07785 "1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE" BE0002214 ADA P00813 ADA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenes Organic compounds; Benzenoids; Naphthalenes [H][C@@](C)(O)[C@@]([H])(CCOC1=CC2=C(C=CC=C2)C=C1)N1C=NC(=C1)C(N)=O 99444256 CHEMBL92404 DB07786 "1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE" BE0002214 ADA P00813 ADA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Phenyl-1,3-oxazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles [H][C@@](C)(O)[C@]([H])(CCC1=CC=CC2=C1OC(=N2)C1=CC=C(Cl)C=C1)N1C=NC(=C1)C(N)=O 99444257 DB07787 "5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE" BE0001717 PARP1 P09874 PARP1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines FC1=C2C(=O)NC(=O)N(CCCCN3CCC(=CC3)C3=CC=CC=C3)C2=CC=C1 99444258 CHEMBL361054 DB07788 "(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE" BE0000923 MAPK1 P28482 MK01_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Zearalenones Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Zearalenones [H]\C1=C([H])/C2=CC(OC)=CC(O)=C2C(=O)O[C@]([H])(C)C\C([H])=C([H])/C(=O)[C@@]([H])(O)[C@@]([H])(O)C1 99444259 CHEMBL1079087 DB07790 N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides COCCNS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C(C)N2C(C)C)C=C1 99444261 CHEMBL478409 DB07791 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides CNS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C(C)N2C2CC2)C=C1 99444262 DB07794 "5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE" BE0000923 MAPK1 P28482 MK01_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles NC1=NNC2=C1C=C(N=N2)C1=C2C=CC=CN2N=C1C1=CC=CC=C1 99444265 CHEMBL259551 DB07795 Fisetin BE0002212 CDK6 Q00534 CDK6_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Flavonols Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones "Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans; Flavonoids" OC1=CC2=C(C=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1 99444266 Fisetin CHEMBL31574 2667741 DB07800 N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides ClC1=CN=C(NS(=O)(=O)C2=C(NC(=O)C3=CC=C(C=C3)N3C=CC=CC3=O)C=CC=C2)C=C1 99444271 CHEMBL402761 DB07801 N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide BE0000991 AURKA O14965 AURKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acylaminobenzoic acid and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives CCCCNC(=O)C1=CC=CC(NC(=O)CCCCCNC2=C3N=CNC3=NC=N2)=C1 99444272 CHEMBL521105 DB07802 "3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE" BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 7-hydroxycoumarins Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins CC1=C(Br)C(=O)OC2=C(Br)C(O)=CC=C12 99444273 CHEMBL273101 DB07804 "5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE" BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=NNC(=N2)C2=CC=C(Cl)S2)C1=O)C(=O)N1CCOCC1 99444275 CHEMBL220513 DB07811 "N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide" BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives CC1=NN=C(O1)C1=CC=C(C(C)=C1)C1=CC(=CC=C1C)C(=O)NC1CC1 99444282 CHEMBL522579 DB07812 "N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide" BE0001172 AKT2 P31751 AKT2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolopyridines Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines [H][C@](CN)(NC(=O)C1=CC=C(S1)C1=C2C=CNC2=NC=C1)C1=CC=CC=C1 99444283 DB07812 "N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide" BE0001065 GSK3B P49841 GSK3B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolopyridines Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines [H][C@](CN)(NC(=O)C1=CC=C(S1)C1=C2C=CNC2=NC=C1)C1=CC=CC=C1 99444283 DB07821 "(1R)-1,2,2-trimethylpropyl (R)-methylphosphinate" BE0002409 PLA2G7 Q13093 PAFA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phosphinic acid esters Organic compounds; Organophosphorus compounds; Organophosphinic acids and derivatives; Phosphinic acid esters [H][C@](C)(O[P@]([H])(C)=O)C(C)(C)C 99444292 DB07829 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles FC1=CC=C(C=C1)C1=NNC=C1C1=CC=NC=C1 99444300 CHEMBL1233024 DB07831 "2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE" BE0000014 ABL1 P00519 ABL1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides CCCC1=CC=C(NC(=O)C2=CC=CC=C2NCC2=CNC(=O)C=C2)C=C1C(F)(F)F 99444302 DB07832 "4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde" BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives CC1=C(NC2=CC=NC3=CC(=CC=C23)C2=CSC(C=O)=N2)C=C(O)C=C1 99444303 CHEMBL237127 DB07833 "N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide" BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides CC1=NN=C(O1)C1=CC=C(C)C(=C1)C1=CC=C(C=C1)C(=O)NC1=CC(=CC=C1)C#N 99444304 CHEMBL270164 DB07834 "N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide" BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives CC1=NN=C(O1)C1=CC=C(C)C(=C1)C1=CC=C(C=C1)C(=O)NCC1CC1 99444305 CHEMBL273158 DB07835 "N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide" BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives CC1=CC=C(C=C1C1=CC=C(C=C1)C(=O)NCC1CC1)C(=O)NC1CC1 99444306 CHEMBL478649 DB07836 1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL BE0003997 PLA2G1B P04054 PA21B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dialkyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters [H][C@](COCCCCCCCCCC)(COCC(F)(F)F)O[P@](O)(=O)OC 99444307 DB07837 "[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid" BE0004105 SGK1 O00141 SGK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrroles Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles OC(=O)CC1=CC=C(C=C1)C1=CNC2=NC=C(C=C12)C1=CC=C2C=CC=CC2=C1 99444308 CHEMBL549906 DB07838 (Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE BE0003780 NMT2 O60551 NMT2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Nitrophenols Organic compounds; Benzenoids; Phenols; Nitrophenols OC1=C(\C=C2/SC(=S)N(CC3=CC=CC=C3)C2=O)C=CC=C1[N+]([O-])=O 99444309 DB07839 "N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE" BE0001646 CTSS P25774 CATS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CC1CCCCC1)(NC1=NC2=CC=CC=C2O1)C(=O)NCCNC1=CC=C(OC)C=C1 99444310 CHEMBL204785 DB07840 "(E)-[4-(3,5-Difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol" BE0002131 FGFR1 P11362 FGFR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental COC1=CC=CC(=C1)C(=O)C1=CNC2=NC=CC(=C12)C1=CC(F)=CC(F)=C1 99444311 DB07841 Geranylgeranyl diphosphate BE0002373 FNTA P49354 FNTA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acyclic diterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Phosphate salts; Terpenes CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O 99444312 Geranylgeranyl_pyrophosphate DB07841 Geranylgeranyl diphosphate BE0001142 PGGT1B P53609 PGTB1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acyclic diterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Phosphate salts; Terpenes CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O 99444312 Geranylgeranyl_pyrophosphate DB07841 Geranylgeranyl diphosphate BE0002372 FNTB P49356 FNTB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acyclic diterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Phosphate salts; Terpenes CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O 99444312 Geranylgeranyl_pyrophosphate DB07841 Geranylgeranyl diphosphate BE0000776 FDPS P14324 FPPS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acyclic diterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Phosphate salts; Terpenes CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O 99444312 Geranylgeranyl_pyrophosphate DB07841 Geranylgeranyl diphosphate BE0004073 RABGGTB P53611 PGTB2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acyclic diterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Phosphate salts; Terpenes CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O 99444312 Geranylgeranyl_pyrophosphate DB07842 (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives [H][C@@](CC1=CC=CC=C1)(OC1=CC=C(CC)C=C1)C(O)=O 99444313 CHEMBL191060 DB07843 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=CC3=C(S2)C=CC(Cl)=C3)C1=O)C(=O)N1CCOCC1 99444314 CHEMBL220529 DB07844 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=CC3=C(S2)C=C(Cl)C=C3)C1=O)C(=O)N1CCOCC1 99444315 CHEMBL217914 DB07845 "2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide" BE0003790 MAPK8 P45983 MK08_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-halobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives COC1=C(NC2=NC3=C(C=CN3)C(NC3=CC=CC(F)=C3C(N)=O)=N2)C=CC(CS(C)(=O)=O)=C1 99444316 DB07847 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1=O)C(=O)N1CCOCC1 99444318 CHEMBL385587 DB07848 5-Chloro-N-{(3S)-1-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}-1H-indole-2-sulfonamide BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" C[C@H](N1CC[C@H](NS(=O)(=O)C2=CC3=C(N2)C=CC(Cl)=C3)C1=O)C(=O)N1CCOCC1 99444319 CHEMBL375112 DB07852 "1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Phenyl-1,2,4-triazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles CC1=NC(=NN1C1=CC(Cl)=CC(Cl)=C1)C(O)=O 99444323 DB07852 "1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Phenyl-1,2,4-triazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles CC1=NC(=NN1C1=CC(Cl)=CC(Cl)=C1)C(O)=O 99444323 DB07853 "2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]iminocyclohexa-2,5-dien-1-yl]acetonitrile" BE0004041 SLK Q9H2G2 SLK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N#CCC1C=CC(C=C1)=NC1=NC2=CC=CC=C2C(NC2=NNC(=C2)C2CC2)=N1 99444324 DB07853 "2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]iminocyclohexa-2,5-dien-1-yl]acetonitrile" BE0004108 CAMK2D Q13557 KCC2D_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N#CCC1C=CC(C=C1)=NC1=NC2=CC=CC=C2C(NC2=NNC(=C2)C2CC2)=N1 99444324 DB07853 "2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]iminocyclohexa-2,5-dien-1-yl]acetonitrile" BE0004109 STK26 Q9P289 STK26_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N#CCC1C=CC(C=C1)=NC1=NC2=CC=CC=C2C(NC2=NNC(=C2)C2CC2)=N1 99444324 DB07854 N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives CNCC1=CC=C(C=C1)C1=NC=NC2=C1N=CN2 99444325 CHEMBL376388 DB07854 N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives CNCC1=CC=C(C=C1)C1=NC=NC2=C1N=CN2 99444325 CHEMBL376388 DB07855 (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes [H][C@](N)(C1=CC=CC=C1)C1=CC=C(C=C1)C1=C2N=CNC2=NC=N1 99444326 DB07855 (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes [H][C@](N)(C1=CC=CC=C1)C1=CC=C(C=C1)C1=C2N=CNC2=NC=N1 99444326 DB07856 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=C2N=CNC2=NC=N1 99444327 CHEMBL228133 DB07856 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=C2N=CNC2=NC=N1 99444327 CHEMBL228133 DB07857 (2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes NC[C@@H](C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C1=CNN=C1 99444328 CHEMBL227924 DB07857 (2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes NC[C@@H](C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C1=CNN=C1 99444328 CHEMBL227924 DB07858 (2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental NC[C@H](C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C1=CNN=C1 99444329 CHEMBL223339 DB07858 (2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental NC[C@H](C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C1=CNN=C1 99444329 CHEMBL223339 DB07859 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=CNN=C1 99444330 CHEMBL428462 DB07859 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=CNN=C1 99444330 CHEMBL428462 DB07859 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE BE0001172 AKT2 P31751 AKT2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=CNN=C1 99444330 CHEMBL428462 DB07859 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE BE0001065 GSK3B P49841 GSK3B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=CNN=C1 99444330 CHEMBL428462 DB07860 (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes [H][C@@](CN)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1 99444331 DB07860 (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes [H][C@@](CN)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1 99444331 DB07863 2-chloro-5-nitro-N-phenylbenzamide BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Nitrobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes [O-][N+](=O)C1=CC=C(Cl)C(=C1)C(=O)NC1=CC=CC=C1 99444334 CHEMBL375270 DB07863 2-chloro-5-nitro-N-phenylbenzamide BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Nitrobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes [O-][N+](=O)C1=CC=C(Cl)C(=C1)C(=O)NC1=CC=CC=C1 99444334 CHEMBL375270 DB07863 2-chloro-5-nitro-N-phenylbenzamide BE0000412 RXRA P19793 RXRA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Nitrobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes [O-][N+](=O)C1=CC=C(Cl)C(=C1)C(=O)NC1=CC=CC=C1 99444334 CHEMBL375270 DB07866 "(5S)-2-(Cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one" BE0000329 HSD11B1 P28845 DHI1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thiazolines Organic compounds; Organoheterocyclic compounds; Azolines; Thiazolines CCC[C@]1(C)SC(NC2CCCCCCC2)=NC1=O 99444337 DB07870 Haloxyfop-P BE0000702 ACACB O00763 ACACB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryloxyphenoxypropionic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids C[C@@H](OC1=CC=C(OC2=C(Cl)C=C(C=N2)C(F)(F)F)C=C1)C(O)=O 99444341 CHEMBL1233202 DB07872 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@]1(CCN(CC(=O)NC2=C(F)C=C(C=C2)N2C=CC=CC2=O)C1)NC(=O)C1=CC=C(Cl)S1 99444343 CHEMBL557915 DB07875 "5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide" BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@]1(O)CN(CC(=O)NC2=C(F)C=C(C=C2)N2C=CC=CC2=O)C[C@]1([H])NC(=O)C1=CC=C(Cl)S1 99444346 CHEMBL561318 DB07876 (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives [H][C@]1(C)CNCCCN1S(=O)(=O)C1=C2C(C)=CN=CC2=CC=C1 99444347 CHEMBL406821 DB07876 (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives [H][C@]1(C)CNCCCN1S(=O)(=O)C1=C2C(C)=CN=CC2=CC=C1 99444347 CHEMBL406821 DB07876 (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE BE0001016 ROCK1 Q13464 ROCK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives [H][C@]1(C)CNCCCN1S(=O)(=O)C1=C2C(C)=CN=CC2=CC=C1 99444347 CHEMBL406821 DB07877 "8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE" BE0001898 HSP90AB1 P08238 HS90B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diarylthioethers Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers CC(C)NCCCN1C(SC2=C(Br)C=C3OCOC3=C2)=NC2=C1N=CN=C2N 99444348 CHEMBL383189 DB07877 "8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diarylthioethers Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers CC(C)NCCCN1C(SC2=C(Br)C=C3OCOC3=C2)=NC2=C1N=CN=C2N 99444348 CHEMBL383189 DB07878 "N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE" BE0001646 CTSS P25774 CATS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives C\C=C\C[C@]([H])(C(C)=O)N1N=NC(=C1)[C@](C)(C(C)C)NC(=O)C1=CC=CC=C1 99444349 DB07879 "N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide" BE0003523 HDAC4 P56524 HDAC4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles ONC(=O)C1=CC=C(S1)C(=O)N1CCN2C(C1)=NC=C2C1=CC=CC=C1 99444350 DB07887 "(R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)benzyl)guanidine" BE0001021 F11 P03951 FA11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives [H]N([H])C(=NCC1=CC=C(C=C1)B1OC[C@@H](CO)O1)N([H])[H] 99444358 DB07889 "(2S)-1-(Dimethylamino)-3-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenoxy)-2-propanol" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Imidazopyridines Organic compounds; Organoheterocyclic compounds; Imidazopyridines [H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)C1=C(C)N=C2C=CC=CN12 99444360 DB07895 ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID BE0002372 FNTB P49356 FNTB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sesquiterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids Fatty Alcohols; Organophosphorus Compounds; Sesquiterpenes; Lipids; Alcohols; Terpenes [H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)C[C@@]([H])(O)P(O)(O)=O 99444366 DB07895 ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID BE0002373 FNTA P49354 FNTA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sesquiterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids Fatty Alcohols; Organophosphorus Compounds; Sesquiterpenes; Lipids; Alcohols; Terpenes [H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)C[C@@]([H])(O)P(O)(O)=O 99444366 DB07900 3-FORMYL-2-HYDROXY-5-METHYL-HEXANOIC ACID HYDROXYAMIDE BE0001182 MMP8 P22894 MMP8_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Monosaccharides Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@@](O)(C(=O)NO)[C@@]([H])(CC(C)C)C=O 99444371 DB07901 5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE BE0004117 METAP1 P53582 MAP11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyridinylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives CC1=C(Cl)C(NCCC2=CC=CC=C2)=NC(=N1)C1=NC=CC=C1 99444372 CHEMBL472879 DB07902 "TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE" BE0004117 METAP1 P53582 MAP11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives CC(C)(C)OC(=O)NC1=C(N=CC=C1)C(=O)NC1=NC=CS1 99444373 CHEMBL327579 DB07903 "3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE" BE0004117 METAP1 P53582 MAP11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyridinecarboxamides Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives CC(C)(C)C(=O)NC1=C(N=CC=C1)C(=O)NC1=NC=CS1 99444374 CHEMBL316308 DB07905 Hypothemycin BE0000923 MAPK1 P28482 MK01_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Biological Factors; Mycotoxins; Phenols; Toxins, Biological; Lactones; Benzene Derivatives; Resorcinols" [H]\C1=C([H])\C(=O)[C@@H](O)[C@@H](O)C[C@H]2O[C@@H]2C2=C(C(O)=CC(OC)=C2)C(=O)O[C@@H](C)C1 99444376 CHEMBL471474 DB07908 7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHYL)COUMARIN BE0004118 PFN1 P07737 PROF1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 7-hydroxycoumarins Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins CC1=C(CCO)C(=O)OC2=CC(O)=CC=C12 99444379 CHEMBL251935 DB07930 (3R)-3-HYDROXYDODECANOIC ACID BE0004135 ACOX1 Q15067 ACOX1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Medium-chain hydroxy acids and derivatives Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives [H][C@@](O)(CCCCCCCCC)CC(O)=O Fatty Acid Biosynthesis metabolic 99444401 CHEMBL1233457 DB07931 Hexestrol BE0000123 ESR1 P03372 ESR1_HUMAN 18976723 "Maru BS, Tobias JH, Rivers C, Caunt CJ, Norman MR, McArdle CA: Potential use of an estrogen-glucocorticoid receptor chimera as a drug screen for tissue selective estrogenic activity. Bone. 2009 Jan;44(1):102-12. doi: 10.1016/j.bone.2008.09.016. Epub 2008 Oct 11." Withdrawn Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Estrogens, Non-Steroidal; Stilbenes; Stilbestrols; Estrogens; Antineoplastic Agents, Hormonal; Benzylidene Compounds; Benzyl Compounds; Hormones; Thyroxine-binding globulin inducers; Benzene Derivatives; Dihydrostilbenoids; Antineoplastic Agents; Bibenzyls; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@](CC)(C1=CC=C(O)C=C1)[C@]([H])(CC)C1=CC=C(O)C=C1 99444402 Hexestrol CHEMBL9225 DB07932 "dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate" BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes [H][C@]12O[C@]([H])(C(C(=O)OC)=C1C(=O)OC)C(=C2C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 99444403 CHEMBL1213270 DB07932 "dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate" BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes [H][C@]12O[C@]([H])(C(C(=O)OC)=C1C(=O)OC)C(=C2C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 99444403 CHEMBL1213270 DB07933 Erteberel BE0000792 ESR2 Q92731 ESR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational 6-hydroxyflavonoids Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids "Pyrans; Heterocyclic Compounds, Fused-Ring" [H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1 99444404 D09899 Erteberel CHEMBL278703 DB07933 Erteberel BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental; Investigational 6-hydroxyflavonoids Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids "Pyrans; Heterocyclic Compounds, Fused-Ring" [H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1 99444404 D09899 Erteberel CHEMBL278703 DB07936 N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives [H][C@@]1(CCN(C1)C(=O)C1=CC=C(NC2=NC(C3=CN=C(C)N3C(C)C)=C(F)C=N2)C=C1)N(C)C 99444407 CHEMBL460102 DB07940 "9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE" BE0002180 BCHE P06276 CHLE_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acridines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines IC1=CC=CC(CNC2=C3CCCCC3=NC3=C2C=CC=C3)=C1 99444411 DB07941 PH-797804 BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "p38 Mitogen-Activated Protein Kinases, antagonists & inhibitors; Benzoates; Acids, Carbocyclic; Amides; Benzene Derivatives; Pyridines" CNC(=O)C1=CC=C(C)C(=C1)N1C(C)=CC(OCC2=C(F)C=C(F)C=C2)=C(Br)C1=O 99444412 CHEMBL1088751 DB07942 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles FC1=CC=C(C=C1)C1=CNN=C1C1=CC(F)=NC=C1 99444413 DB07943 SD-0006 BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles OCC(=O)N1CCC(CC1)C1=NNC(=C1C1=CC=NC=N1)C1=CC=C(Cl)C=C1 99444414 CHEMBL1090173 DB07947 ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives ClC1=CC=C(COCCNCCNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C=C1 99444418 CHEMBL227381 DB07947 ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives ClC1=CC=C(COCCNCCNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C=C1 99444418 CHEMBL227381 DB07947 ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE BE0001172 AKT2 P31751 AKT2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives ClC1=CC=C(COCCNCCNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C=C1 99444418 CHEMBL227381 DB07947 ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE BE0001065 GSK3B P49841 GSK3B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives ClC1=CC=C(COCCNCCNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C=C1 99444418 CHEMBL227381 DB07950 Indoleacetic acid BE0000273 CCBL1 Q16773 KAT1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indole-3-acetic acid derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives "Heterocyclic Compounds, Fused-Ring; Growth Substances; Indoles; Plant Growth Regulators" OC(=O)CC1=CNC2=CC=CC=C12 Tryptophan Metabolism metabolic 99444421 Indole-3-acetic_acid CHEMBL82411 DB07954 3-isobutyl-1-methyl-7H-xanthine BE0000182 PDE5A O76074 PDE5A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Purinones; Xanthine derivatives; Phosphodiesterase Inhibitors" CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O 99444425 IBMX CHEMBL275084 DB07954 3-isobutyl-1-methyl-7H-xanthine BE0001223 PDE3B Q13370 PDE3B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Purinones; Xanthine derivatives; Phosphodiesterase Inhibitors" CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O 99444425 IBMX CHEMBL275084 DB07954 3-isobutyl-1-methyl-7H-xanthine BE0000706 PDE7A Q13946 PDE7A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Purinones; Xanthine derivatives; Phosphodiesterase Inhibitors" CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O 99444425 IBMX CHEMBL275084 DB07954 3-isobutyl-1-methyl-7H-xanthine BE0001287 PDE4D Q08499 PDE4D_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Purinones; Xanthine derivatives; Phosphodiesterase Inhibitors" CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O 99444425 IBMX CHEMBL275084 DB07954 3-isobutyl-1-methyl-7H-xanthine BE0003134 PDE9A O76083 PDE9A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Purinones; Xanthine derivatives; Phosphodiesterase Inhibitors" CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O 99444425 IBMX CHEMBL275084 DB07954 3-isobutyl-1-methyl-7H-xanthine BE0003717 PDE8A O60658 PDE8A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Purinones; Xanthine derivatives; Phosphodiesterase Inhibitors" CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O 99444425 IBMX CHEMBL275084 DB07954 3-isobutyl-1-methyl-7H-xanthine BE0002085 PDE2A O00408 PDE2A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Purinones; Xanthine derivatives; Phosphodiesterase Inhibitors" CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O 99444425 IBMX CHEMBL275084 DB07954 3-isobutyl-1-methyl-7H-xanthine BE0003556 PDE6G P18545 CNRG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purines; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Purinones; Xanthine derivatives; Phosphodiesterase Inhibitors" CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O 99444425 IBMX CHEMBL275084 DB07959 3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles N1N=C(C2=NC3=CC=CC=C3N2)C2=C1C=CC=C2 99444430 CHEMBL383990 DB07964 "(3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE" BE0003754 ADAM17 P78536 ADA17_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides [H][C@]1(N(CCSC1(C)C)S(=O)(=O)C1=CC=C(OCC#CC)C=C1)C(=O)NO 99444435 CHEMBL207729 DB07966 [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines N#CCC1=CC=C(NC2=NC3=CC=CC=C3C(NC3=NNC(=C3)C3CC3)=N2)C=C1 99444437 DB07969 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol BE0000915 MET P08581 MET_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines CN1CCN(CC1)C1=NC2=C(C=C(C=C2N=C1)C(F)(F)F)C1=CC(O)=CC=C1 99444440 CHEMBL462712 DB07970 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide BE0004140 EPHA7 Q15375 EPHA7_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides CC1=C(NC2=CC(=CN=C2)C(N)=O)C=C(C=C1)C(=O)NC1=CC=CC(=C1)C(F)(F)F 99444441 CHEMBL552425 DB07973 N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolecarboxamides and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives COC1=CC(CN2C(=CC3=C2C=CC=C3)C(=O)NC2CCN(CC2)C(C)C)=CC=C1 99444444 CHEMBL182323 DB07974 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolecarboxamides and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives CC(C)N1CCC(CC1)NC(=O)C1=CC2=C(C=CC=C2)N1CC(=O)NC1=CC=C(Cl)C=C1 99444445 CHEMBL368238 DB07979 "(2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID" BE0004141 DAO P14920 OXDA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H]N=C(CC1=CC(O)=C(O)C=C1)C(O)=O 99444450 DB07982 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines CC(C)N1C(C)=NC=C1C1=NC(NC2=CC=C(C=C2)N2CCN(CC2)C(=O)CO)=NC=C1 99444453 CHEMBL477786 DB07991 N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-phenylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles [H][C@@](C)(CCC1=CC=C(O)C=C1)NC(=O)CC1=C(NC2=C1C=CC=C2)C1=CC=CC=C1 99444462 CHEMBL391910 DB07995 H-89 BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives "Heterocyclic Compounds, Fused-Ring; Sulfones; Enzyme Inhibitors; Sulfur Compounds; Amides; Protein Kinase Inhibitors" BrC1=CC=C(\C=C\CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C=C1 99444466 H-89 CHEMBL104264 DB07995 H-89 BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives "Heterocyclic Compounds, Fused-Ring; Sulfones; Enzyme Inhibitors; Sulfur Compounds; Amides; Protein Kinase Inhibitors" BrC1=CC=C(\C=C\CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C=C1 99444466 H-89 CHEMBL104264 DB07995 H-89 BE0009434 EIF2AK2 P19525 E2AK2_HUMAN inhibitor 21781791 "Harrison PK, Connor M, Kelly E: Chronic ethanol promotes the neuronal differentiation of NG108-15 cells independently of toxin-sensitive G-proteins. Environ Toxicol Pharmacol. 1997 Sep;3(4):307-19. doi: 10.1016/s1382-6689(97)00023-9." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives "Heterocyclic Compounds, Fused-Ring; Sulfones; Enzyme Inhibitors; Sulfur Compounds; Amides; Protein Kinase Inhibitors" BrC1=CC=C(\C=C\CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C=C1 99444466 H-89 CHEMBL104264 DB07996 5-(2-methylpiperazine-1-sulfonyl)isoquinoline BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives "Heterocyclic Compounds, Fused-Ring; Piperazines; Enzyme Inhibitors; Sulfones; Sulfur Compounds; Isoquinolines; Sulfonamides" CC1CNCCN1S(=O)(=O)C1=C2C=CN=CC2=CC=C1 99444467 CHEMBL323556 DB07996 5-(2-methylpiperazine-1-sulfonyl)isoquinoline BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives "Heterocyclic Compounds, Fused-Ring; Piperazines; Enzyme Inhibitors; Sulfones; Sulfur Compounds; Isoquinolines; Sulfonamides" CC1CNCCN1S(=O)(=O)C1=C2C=CN=CC2=CC=C1 99444467 CHEMBL323556 DB07997 N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2 99444468 CHEMBL148333 DB07997 N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2 99444468 CHEMBL148333 DB08001 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental o-Hydroxybenzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives COC(=O)C1=C(O)C=CC=C1OC\C=C\C1=CC(=CC=C1)C1=C(CO)C(=NO1)C(O)=O 99444472 CHEMBL184444 DB08003 ISOTHIAZOLIDINONE ANALOG BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dipeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CC1=CC=C(C=C1)[C@]1([H])CC(=O)NS1(=O)=O)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(C)=O)C(N)=O 99444474 CHEMBL382311 DB08005 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide BE0001097 MAPK10 P53779 MK10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles CCNC(=O)N1CCC(CC1)NC1=NC(C2=CNC3=CC=CC=C23)=C(Cl)C=N1 99444476 CHEMBL248176 DB08010 "(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime" BE0001097 MAPK10 P53779 MK10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes O\N=C1/C(=O)N(CC2=C3OCOCC3=CC(F)=C2)C2=CC=CC(\C=C\C3=CC=CC=C3)=C12 99444481 CHEMBL561540 DB08011 "(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime" BE0001097 MAPK10 P53779 MK10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Benzo-1,3-dioxanes" "Organic compounds; Organoheterocyclic compounds; Benzodioxanes; Benzo-1,3-dioxanes" O\N=C1\C(=O)N(CC2=CC(F)=CC3=C2OCOC3)C2=C1C=C(F)C=C2 99444482 DB08015 "(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime" BE0001097 MAPK10 P53779 MK10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Benzo-1,3-dioxanes" "Organic compounds; Organoheterocyclic compounds; Benzodioxanes; Benzo-1,3-dioxanes" O\N=C1/C(=O)N(CC2=CC(F)=CC3=C2OCOC3)C2=CC=CC(=C12)C1=CC=CC=C1 99444486 CHEMBL549385 DB08018 "N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE" BE0000067 NOS1 P29475 NOS1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylmethylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines [H][C@]1(CC2=NC(N)=CC(C)=C2)CNC[C@@]1([H])NCCNCC1=CC=C(Cl)C=C1 99444489 CHEMBL474637 DB08019 "N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine" BE0000067 NOS1 P29475 NOS1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylmethylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines [H][C@]1(CC2=NC(N)=CC(C)=C2)CNC[C@]1([H])NCCNCC1=CC(Cl)=CC=C1 99444490 CHEMBL526688 DB08020 "(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL" BE0000792 ESR2 Q92731 ESR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-hydroxyflavonoids Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids [H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1COC)C1=CC=C(O)C=C1 99444491 CHEMBL236086 DB08020 "(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL" BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-hydroxyflavonoids Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids [H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1COC)C1=CC=C(O)C=C1 99444491 CHEMBL236086 DB08021 5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide BE0001097 MAPK10 P53779 MK10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-furanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides ClC1=C(N2CCN(CC#C)CC2)C(NC(=O)C2=CC=C(Br)O2)=CC=C1 99444492 CHEMBL1233749 DB08023 "N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine" BE0001097 MAPK10 P53779 MK10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Imidazopyridines Organic compounds; Organoheterocyclic compounds; Imidazopyridines CN(C1CCCCC1)C1=NC(=CC=N1)C1=CN=C2C=CC=CN12 99444494 CHEMBL482708 DB08025 "N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'-BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE" BE0001097 MAPK10 P53779 MK10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Bipyridines and oligopyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines [H][C@@]1(CC[C@@]([H])(CC1)C(=O)NC1=CC(=CC=N1)C1=CC(NC2=CC=C(F)C=C2)=NC=C1)OC 99444496 CHEMBL203631 DB08026 "2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide" BE0001097 MAPK10 P53779 MK10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CNC(=O)CN1CCC(CC1)NC1=NC(=CC=N1)C1=CN=C2C=CC=CN12 99444497 CHEMBL485323 DB08028 "BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-YLIDENE]-AMINE" BE0001182 MMP8 P22894 MMP8_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Chlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes ClC1=CC=C(C=C1)C1=NN\C(SC1)=N\CCC=C 99444499 DB08032 "N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE" BE0001852 KIF11 P52732 KIF11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thiophene carboxamides Organic compounds; Organoheterocyclic compounds; Thiophenes; Thiophene carboxylic acids and derivatives CCN(CC)C(=O)C1=C(NC(=O)C2=CC=CS2)SC2=C1CCCC2 99444503 CHEMBL228369 DB08033 "(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE" BE0001852 KIF11 P52732 KIF11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thiophene carboxamides Organic compounds; Organoheterocyclic compounds; Thiophenes; Thiophene carboxylic acids and derivatives [H][C@@]1(C)CCC2=C(C1)C(C(=O)N(CC)CC)=C(NC(=O)C1=CC=CS1)S2 99444504 DB08035 "1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE" BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Pyrazolo[3,4-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrazolopyrimidines; Pyrazolo[3,4-d]pyrimidines" CC1=CC=C(C)C(CC2=NN(C3=C2C(N)=NC=N3)C(C)(C)C)=C1 99444506 CHEMBL411930 DB08037 MK-0731 BE0001852 KIF11 P52732 KIF11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrrolines Organic compounds; Organoheterocyclic compounds; Pyrrolines; Phenylpyrrolines CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)C1=CC=CC=C1)C1=C(F)C=CC(F)=C1 99444508 CHEMBL481931 DB08039 "(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE" BE0004108 CAMK2D Q13557 KCC2D_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines CN(C)S(=O)(=O)C1=CC=C2NC(=O)\C(=C/C3=CC4=C(CCCC4)N3)C2=C1 99444510 CHEMBL605003 DB08040 Kelatorphan BE0001680 LTA4H P09960 LKHA4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acyl-L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Sensory System Agents; Central Nervous System Agents; Oligopeptides; Amino Acids, Peptides, and Proteins; Peptides; Peripheral Nervous System Agents; Analgesics" C[C@H](NC(=O)[C@@H](CC(=O)NO)CC1=CC=CC=C1)C(O)=O 99444511 Kelatorphan CHEMBL85320 DB08043 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA BE0000014 ABL1 P00519 ABL1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers FC(F)(F)C1=CC(NC(=O)NC2=CC=C(OC3=CC=NC=C3)C=C2)=CC=C1 99444514 DB08045 "4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL" BE0001898 HSP90AB1 P08238 HS90B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles NCCCOC1=CC=C(C=C1)C1=C(NN=C1)C1=CC(Cl)=C(O)C=C1O 99444516 DB08046 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoindolones Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindolines NS(=O)(=O)C1=C(Cl)C=CC(=C1)[C@@]1(O)NC(=O)C2=C1C=CC=C2 99444517 CHEMBL402262 DB08047 "4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol" BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles OC1=CC(O)=C(C=C1)C1=NN(CC=C)C2=C1C=CC=C2C(F)(F)F 99444518 CHEMBL222501 DB08047 "4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol" BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles OC1=CC(O)=C(C=C1)C1=NN(CC=C)C2=C1C=CC=C2C(F)(F)F 99444518 CHEMBL222501 DB08048 "4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL" BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles OC1=CC=C2C(NN=C2C2=CC=C(O)C=C2O)=C1 99444519 CHEMBL223026 DB08048 "4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL" BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles OC1=CC=C2C(NN=C2C2=CC=C(O)C=C2O)=C1 99444519 CHEMBL223026 DB08049 "7,8-dihydroxy-4-phenyl-2H-chromen-2-one" BE0002089 COMT P21964 COMT_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Neoflavones Organic compounds; Phenylpropanoids and polyketides; Neoflavonoids; Neoflavones OC1=CC=C2C(OC(=O)C=C2C2=CC=CC=C2)=C1O 99444520 CHEMBL1233867 DB08052 PP-121 BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrazolylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrazolylpyridines NC1=NC=NC2=C1C(=NN2C1CCCC1)C1=CC2=C(NC=C2)N=C1 99444523 CHEMBL1081312 DB08053 "1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine" BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles COC1=C(OC)C=C(C=C1)C1=NN(C2CCC2)C2=NC=NC(N)=C12 99444524 CHEMBL1233881 DB08054 "1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine" BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinolines and derivatives Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives CC(C)N1N=C(C2=C(N)N=CN=C12)C1=CC2=CC=CN=C2C=C1 99444525 CHEMBL1233882 DB08055 "N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine" BE0000842 LCK P06239 LCK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Imidazo[1,5-a]pyrazines" "Organic compounds; Organoheterocyclic compounds; Imidazo[1,5-a]pyrazines" ClC1=C(NC2=NC=C(N3C=NC=C23)C2=CC=CC=C2)C=CC=C1 99444526 CHEMBL462228 DB08056 "N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine" BE0000842 LCK P06239 LCK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Imidazo[1,5-a]pyrazines" "Organic compounds; Organoheterocyclic compounds; Imidazo[1,5-a]pyrazines" CC1=CC=CC(C)=C1NC1=NC=C(N2C=NC=C12)C1=CC=CC=C1 99444527 CHEMBL223873 DB08057 "N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine" BE0000842 LCK P06239 LCK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines [H][C@]1(C)CN(CCN1)C1=CC=C2N=C(NC3=C(C)C=CC=C3Cl)C3=CN=CN3C2=C1 99444528 DB08059 Wortmannin BE0001315 PIK3CG P48736 PK3CG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Oxasteroids and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxasteroids and derivatives "Enzyme Inhibitors; Insulin Antagonists; Radiation-Sensitizing Agents; Hormone Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Protein Kinase Inhibitors; Androstadienes; Central Nervous System Depressants; Antifungal Agents; Immunologic Factors; Steroids; Fused-Ring Compounds; Androstanes; Androstenes; Immunosuppressive Agents; Anti-Infective Agents; Serotonin Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C2=C3C(=CO2)C(=O)O[C@H](COC)[C@]13C 99444530 Wortmannin CHEMBL428496 DB08059 Wortmannin BE0000955 PIK3R1 P27986 P85A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Oxasteroids and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxasteroids and derivatives "Enzyme Inhibitors; Insulin Antagonists; Radiation-Sensitizing Agents; Hormone Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Protein Kinase Inhibitors; Androstadienes; Central Nervous System Depressants; Antifungal Agents; Immunologic Factors; Steroids; Fused-Ring Compounds; Androstanes; Androstenes; Immunosuppressive Agents; Anti-Infective Agents; Serotonin Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C2=C3C(=CO2)C(=O)O[C@H](COC)[C@]13C 99444530 Wortmannin CHEMBL428496 DB08059 Wortmannin BE0002379 PIK3CA P42336 PK3CA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Oxasteroids and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxasteroids and derivatives "Enzyme Inhibitors; Insulin Antagonists; Radiation-Sensitizing Agents; Hormone Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Protein Kinase Inhibitors; Androstadienes; Central Nervous System Depressants; Antifungal Agents; Immunologic Factors; Steroids; Fused-Ring Compounds; Androstanes; Androstenes; Immunosuppressive Agents; Anti-Infective Agents; Serotonin Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C2=C3C(=CO2)C(=O)O[C@H](COC)[C@]13C 99444530 Wortmannin CHEMBL428496 DB08063 "1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE" BE0000412 RXRA P19793 RXRA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" COC1=CC=C(NC2=C(C(=O)N(CC3=CC=CC=C3)C2=O)C2=CC=CC=C2)C=C1 99444534 CHEMBL189938 DB08064 N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-phenylureas Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas CC(C)(C)C1=NNC(NC(=O)NC2=CC=C(Cl)C(COC3=CC=CN=C3)=C2)=C1 99444535 CHEMBL191598 DB08065 2-(1H-pyrazol-3-yl)-1H-benzimidazole BE0000991 AURKA O14965 AURKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles N1C=CC(=N1)C1=NC2=CC=CC=C2N1 99444536 CHEMBL495758 DB08066 N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE BE0000991 AURKA O14965 AURKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles O=C(NC1=CNN=C1C1=NC2=C(N1)C=CC=C2)C1=CC=CC=C1 99444537 CHEMBL522891 DB08066 N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles O=C(NC1=CNN=C1C1=NC2=C(N1)C=CC=C2)C1=CC=CC=C1 99444537 CHEMBL522891 DB08067 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM BE0002408 JAK2 O60674 JAK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles O=C(NC1CC1)NC1=CNN=C1C1=NC2=CC=C(C[NH+]3CCOCC3)C=C2N1 99444538 DB08068 N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO- BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides [H][C@@]1(F)C[C@]([H])(CC(=C1)C(=O)NC1=CC=C(Cl)C(COC2=CN=CC=C2)=C1)N1CCOCC1 99444539 DB08070 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CC1=NNC=C1C1=CC=C(CCN)C=C1 99444541 CHEMBL228224 DB08070 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CC1=NNC=C1C1=CC=C(CCN)C=C1 99444541 CHEMBL228224 DB08073 (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE BE0001172 AKT2 P31751 AKT2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles [H][C@@](N)(COC1=CN=CC(=C1)C1=CC=C2NN=C(C)C2=C1)CC1=CNC2=CC=CC=C12 99444544 CHEMBL379300 DB08073 (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE BE0001065 GSK3B P49841 GSK3B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles [H][C@@](N)(COC1=CN=CC(=C1)C1=CC=C2NN=C(C)C2=C1)CC1=CNC2=CC=CC=C12 99444544 CHEMBL379300 DB08073 (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles [H][C@@](N)(COC1=CN=CC(=C1)C1=CC=C2NN=C(C)C2=C1)CC1=CNC2=CC=CC=C12 99444544 CHEMBL379300 DB08073 (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles [H][C@@](N)(COC1=CN=CC(=C1)C1=CC=C2NN=C(C)C2=C1)CC1=CNC2=CC=CC=C12 99444544 CHEMBL379300 DB08078 {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid BE0001007 PPARD Q03181 PPARD_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds CCCC1=C(OCCCOC2=CC=C(OCC(O)=O)C=C2)C=CC(C(C)=O)=C1O 99444549 CHEMBL153057 DB08079 AMG-208 BE0000915 MET P08581 MET_HUMAN inhibitor 26155941 "Hong DS, Rosen P, Lockhart AC, Fu S, Janku F, Kurzrock R, Khan R, Amore B, Caudillo I, Deng H, Hwang YC, Loberg R, Ngarmchamnanrith G, Beaupre DM, Lee P: A first-in-human study of AMG 208, an oral MET inhibitor, in adult patients with advanced solid tumors. Oncotarget. 2015 Jul 30;6(21):18693-706. doi: 10.18632/oncotarget.4472." Investigational Phenylpyridazines Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives COC1=CC2=NC=CC(OCC3=NN=C4C=CC(=NN34)C3=CC=CC=C3)=C2C=C1 99444550 CHEMBL496102 DB08080 Latrunculin B BE0004156 MKL1 Q969V6 MKL1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Macrolides and analogues Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues Sulfur Compounds; Porifera; Thiazoles [H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/CC\C(C)=C/C(=O)O2)O1 99444551 Latrunculin CHEMBL411879 DB08080 Latrunculin B BE0004157 SPIRE2 Q8WWL2 SPIR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Macrolides and analogues Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues Sulfur Compounds; Porifera; Thiazoles [H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/CC\C(C)=C/C(=O)O2)O1 99444551 Latrunculin CHEMBL411879 DB08083 "2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide" BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles NS(=O)(=O)C1=CC=C2NC(=NC2=C1)C1=CSC=N1 99444554 CHEMBL455271 DB08085 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE BE0000315 THRB P10828 THB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoyl derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives CCCCCCC1=CC=C(C=C1)C(=O)C=C 99444556 CHEMBL237600 DB08087 "4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE" BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydantoins Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines [H][C@@]1(O)CCN2C(=O)N(C(=O)[C@]12[H])C1=CC=C(C#N)C2=CC=CC=C12 99444558 CHEMBL425646 DB08088 "2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-methylbenzonitrile" BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzonitriles Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzonitriles N#CC1=CC=C(\N=C2/O[C@@]([H])(C(F)(F)F)[C@]3([H])[C@](O)([H])CCN23)C(C)=C1Cl 99444559 CHEMBL484726 DB08089 LGD-2226 BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Quinolines; Heterocyclic Compounds, Fused-Ring" FC(F)(F)CN(CC(F)(F)F)C1=CC2=C(NC(=O)C=C2C(F)(F)F)C=C1 99444560 LGD-2226 CHEMBL436784 DB08091 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylmorpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines FC1=CC(=CC(=C1)C(=O)NC1=CC=C2NC=C(CCC3=CC=NC=C3)C2=C1)N1CCOCC1 99444562 CHEMBL365776 DB08092 3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylmorpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines FC1=CC(=CC(=C1)C(=O)NC1=CC=C2NC=CC2=C1)N1CCOCC1 99444563 CHEMBL195450 DB08093 3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenes Organic compounds; Benzenoids; Naphthalenes NC1=C(OCC2=CC=CC3=CC=CC=C23)C=CC=N1 99444564 CHEMBL195393 DB08094 RO-4584820 BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds COC1=CC=C(F)C(F)=C1C(=O)C1=CN=C(NC2CCN(CC2)S(C)(=O)=O)N=C1N 99444565 CHEMBL384304 DB08095 "3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA" BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-phenylureas Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas [H][C@@](C)(NC1=NC=CC(=N1)N(C(=O)NC1=CC=CC=C1Cl)C1=CC=C(OC)C=C1)C(C)(C)O 99444566 CHEMBL379760 DB08096 "8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM" BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purines and purine derivatives Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives CCN1C(NC2=CC=CC=C2Cl)=NC2=C1N=C(NC1=C(F)C=CC=C1F)N=C2 99444567 CHEMBL425616 DB08097 "2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE" BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers CC(C)N1C(NC2=CC=CC=C2F)=NC2=CN=C(OC3=C(F)C=CC=C3F)N=C12 99444568 CHEMBL380373 DB08099 "6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine" BE0000270 REN P00797 RENI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines [H][C@]1(CCC2=CC=C(C=C2N1CCCOC)C1=C(N)N=C(N)N=C1CC)C1=CC=CC=C1 99444570 DB08113 3-pyridin-4-yl-1H-indazole BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indazoles Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles N1N=C(C2=C1C=CC=C2)C1=CC=NC=C1 99444584 CHEMBL1234032 DB08113 3-pyridin-4-yl-1H-indazole BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indazoles Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles N1N=C(C2=C1C=CC=C2)C1=CC=NC=C1 99444584 CHEMBL1234032 DB08114 "5-benzyl-1,3-thiazol-2-amine" BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,5-disubstituted thiazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles NC1=NC=C(CC2=CC=CC=C2)S1 99444585 CHEMBL1234033 DB08114 "5-benzyl-1,3-thiazol-2-amine" BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,5-disubstituted thiazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles NC1=NC=C(CC2=CC=CC=C2)S1 99444585 CHEMBL1234033 DB08121 (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives [H][C@@](CC1=CC=CC=C1)(OC1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O 99444592 CHEMBL191275 DB08122 "N-Methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminobenzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides [H]\C(NC1=CC=C(C=C1)S(=O)(=O)NC)=C1\C(=O)NC2=CC=CC=C12 99444593 CHEMBL1234085 DB08123 "N-methyl-{4-[2-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CNS(=O)(=O)CC1=CC=C(N\N=C2/C(=O)NC3=C2C2=C(C=C3)N=CS2)C=C1 99444594 CHEMBL1234086 DB08124 "3-{[(2,2-dioxido-1,3-dihydro-2-benzothien-5-yl)amino]methylene}-5-(1,3-oxazol-5-yl)-1,3-dihydro-2H-indol-2-one" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines O=C1NC2=CC=C(C=C2\C1=C\NC1=CC2=C(CS(=O)(=O)C2)C=C1)C1=CN=CO1 99444595 CHEMBL1234087 DB08125 "4-{[(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminobenzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides O=C1NC2=CC=CC=C2\C1=C\NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1 99444596 CHEMBL1234088 DB08126 "3-{[4-([amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1H-indole" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NC(=N)NS(=O)(=O)C1=CC=C(N\C=C2/C(=O)NC3=C2C=CC=C3)C=C1 99444597 CHEMBL1234089 DB08130 "N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine" BE0000870 MAP2K1 Q02750 MP2K1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aniline and substituted anilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines NCCNC1=NN=C(O1)C1=C(NC2=CC=C(I)C=C2F)C(F)=C(F)C=C1 99444601 CHEMBL485945 DB08132 5-hydroxynaphthalene-1-sulfonamide BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-naphthalene sulfonic acids and derivatives Organic compounds; Benzenoids; Naphthalenes; Naphthalene sulfonic acids and derivatives NS(=O)(=O)C1=C2C=CC=C(O)C2=CC=C1 99444603 CHEMBL457047 DB08133 N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides NS(=O)(=O)C1=CC=C(NC(=O)C2=NNC3=C2C=CC=C3)C=C1 99444604 CHEMBL455946 DB08134 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NS(=O)(=O)C1=CC=C(NC2=NC(Cl)=CN=C2)C=C1 99444605 CHEMBL487738 DB08135 N-phenyl-1H-pyrazole-3-carboxamide BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides O=C(NC1=CC=CC=C1)C1=NNC=C1 99444606 CHEMBL445420 DB08136 4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides CC(=O)NC1=CNN=C1C(=O)NC1=CC=C(F)C=C1 99444607 CHEMBL456163 DB08137 (4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides FC1=CC=C(NC(=O)C2=NNC=C2NC(=O)C2=CC=CC=C2)C=C1 99444608 CHEMBL463580 DB08138 "{[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides FC1=CC=C(NC(=O)C2=NNC=C2NC(=O)C2=C(F)C=CC=C2F)C=C1 99444609 CHEMBL518383 DB08139 "5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Pyrazolo[1,5-a]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrazolopyrimidines; Pyrazolo[1,5-a]pyrimidines" CC(C)NC1=CC(Cl)=NC2=C(C=NN12)C#N 99444610 CHEMBL458926 DB08140 "5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Pyrazolo[1,5-a]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrazolopyrimidines; Pyrazolo[1,5-a]pyrimidines" [H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC2=C(C=NN2C(NC(C)C)=C1)C#N 99444611 CHEMBL509730 DB08141 "4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-halobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives [H][C@@]1(CCCNC1)NC(=O)C1=NNC=C1NC(=O)C1=C(F)C=CC=C1F 99444612 CHEMBL1187319 DB08142 AT-7519 BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational 2-halobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Cyclin-Dependent Kinases, antagonists & inhibitors" ClC1=CC=CC(Cl)=C1C(=O)NC1=CNN=C1C(=O)NC1CCNCC1 99444613 CHEMBL445813 DB08142 AT-7519 BE0001082 CDK1 P06493 CDK1_HUMAN Investigational 2-halobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Cyclin-Dependent Kinases, antagonists & inhibitors" ClC1=CC=CC(Cl)=C1C(=O)NC1=CNN=C1C(=O)NC1CCNCC1 99444613 CHEMBL445813 DB08143 "5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE" BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@]1(F)CN(CC(=O)NC2=CC=C(C=C2F)N2C=CC=CC2=O)C[C@]1([H])NC(=O)C1=CC=C(Cl)S1 99444614 CHEMBL550453 DB08147 "4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid" BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines OC(=O)C(=O)CC(=O)C1=CC=CC(=C1)N(CC1=CC=CC=C1)CC1=CC=CC=C1 99444618 CHEMBL1234135 DB08148 "1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine" BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines NCC1(CCN(CC1)C1=C2C=CNC2=NC=N1)C1=CC=C(Cl)C=C1 99444619 CHEMBL406863 DB08148 "1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine" BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines NCC1(CCN(CC1)C1=C2C=CNC2=NC=N1)C1=CC=C(Cl)C=C1 99444619 CHEMBL406863 DB08149 "1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine" BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 4-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines NCC1(CC2=CC=C(Cl)C=C2)CCN(CC1)C1=C2C=CNC2=NC=N1 99444620 CHEMBL260000 DB08149 "1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine" BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 4-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines NCC1(CC2=CC=C(Cl)C=C2)CCN(CC1)C1=C2C=CNC2=NC=N1 99444620 CHEMBL260000 DB08150 "4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium" BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 4-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines [NH3+]C1(CC2=CC=C(Cl)C=C2)CCN(CC1)C1=C2C=CNC2=NC=N1 99444621 DB08150 "4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium" BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 4-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines [NH3+]C1(CC2=CC=C(Cl)C=C2)CCN(CC1)C1=C2C=CNC2=NC=N1 99444621 DB08153 "(5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE" BE0001898 HSP90AB1 P08238 HS90B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydroxybenzoic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives OC1=CC(O)=C2C(CC(=O)CCCCC\C=C\CCOC2=O)=C1Cl 99444624 DB08155 N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acetyl-2-arylethylamines Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives CC(=O)NCCC1=CC=C(C=C1)S(N)(=O)=O 99444626 DB08156 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids NS(=O)(=O)C1=CC=C(CCC(O)=O)C=C1 99444627 CHEMBL451332 DB08157 ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides CCOC(=O)CCC1=CC=C(C=C1)S(N)(=O)=O 99444628 DB08159 "4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE" BE0000971 TOP1 P11387 TOP1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Isoquinolones and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives OC(=O)CCCN1C2=C(C(=O)C3=CC=CC=C23)C2=CC=CC=C2C1=O 99444630 CHEMBL343336 DB08162 Fasudil BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives "Antiarrhythmic agents; Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Piperazines; Enzyme Inhibitors; Sulfones; Vasodilating Agents; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Sulfur Compounds; Isoquinolines; Sulfonamides; Membrane Transport Modulators; Protein Kinase Inhibitors" O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2 99444633 Fasudil CHEMBL38380 DB08162 Fasudil BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives "Antiarrhythmic agents; Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Piperazines; Enzyme Inhibitors; Sulfones; Vasodilating Agents; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Sulfur Compounds; Isoquinolines; Sulfonamides; Membrane Transport Modulators; Protein Kinase Inhibitors" O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2 99444633 Fasudil CHEMBL38380 DB08162 Fasudil BE0001016 ROCK1 Q13464 ROCK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives "Antiarrhythmic agents; Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Piperazines; Enzyme Inhibitors; Sulfones; Vasodilating Agents; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Sulfur Compounds; Isoquinolines; Sulfonamides; Membrane Transport Modulators; Protein Kinase Inhibitors" O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2 99444633 Fasudil CHEMBL38380 DB08162 Fasudil BE0004191 ROCK2 O75116 ROCK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives "Antiarrhythmic agents; Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Piperazines; Enzyme Inhibitors; Sulfones; Vasodilating Agents; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Sulfur Compounds; Isoquinolines; Sulfonamides; Membrane Transport Modulators; Protein Kinase Inhibitors" O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2 99444633 Fasudil CHEMBL38380 DB08165 indane-5-sulfonamide BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indanes Organic compounds; Benzenoids; Indanes NS(=O)(=O)C1=CC=C2CCCC2=C1 99444636 Indane-5-sulfonamide CHEMBL364869 DB08168 Coumarin 120 BE0001608 HDAC8 Q9BY41 HDAC8_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Coumarins and derivatives Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives "Indicators and Reagents; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans; Laboratory Chemicals; Compounds used in a research, industrial, or household setting" CC1=CC(=O)OC2=C1C=CC(N)=C2 99444639 CHEMBL270672 DB08170 "(1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE" BE0003690 MMP7 P09237 MMP7_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tetrahydroisoquinolines Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines [H][C@]1(N(CCC2=CC(O)=C(OC)C=C12)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO 99444641 DB08173 5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives ClC1=CC=C(S1)C(=O)NCCNC(=O)C1=CC=C(C=C1)N1C=CC=CC1=O 99444644 CHEMBL232566 DB08174 "5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE" BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives [H][C@]1(CCC[C@]1([H])NC(=O)C1=CC=C(C=C1)N1C=CC=CC1=O)NC(=O)C1=CC=C(Cl)S1 99444645 CHEMBL233992 DB08175 "(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID" BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sesquiterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids COC(C)(C)CCC[C@@](C)([H])C\C=C\C(\C)=C\C(O)=O 99444646 DB08178 "4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolopyridines Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines COC1=C2C(NC=C2C2=NC(N)=NC=C2)=NC=C1 99444649 CHEMBL270686 DB08178 "4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolopyridines Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines COC1=C2C(NC=C2C2=NC(N)=NC=C2)=NC=C1 99444649 CHEMBL270686 DB08180 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE BE0002373 FNTA P49354 FNTA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sesquiterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids CN(CCO[P@@](O)(=O)OP(O)(O)=O)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C 99444651 CHEMBL71360 DB08180 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE BE0001142 PGGT1B P53609 PGTB1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sesquiterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids CN(CCO[P@@](O)(=O)OP(O)(O)=O)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C 99444651 CHEMBL71360 DB08182 "4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolopyridines Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines CCCOC1=C2C(NC=C2C2=NC(N)=NC=C2)=NC=C1 99444653 CHEMBL270687 DB08182 "4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolopyridines Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines CCCOC1=C2C(NC=C2C2=NC(N)=NC=C2)=NC=C1 99444653 CHEMBL270687 DB08186 (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE BE0002683 KAT2B Q92831 KAT2B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles CN1C=C(\C=C\C(C)=O)C2=CC=CC=C12 99444657 DB08191 "4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid" BE0004105 SGK1 O00141 SGK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines OC(=O)C1=CC=C(C=C1)C1=CNC2=C1C=C(C=N2)C1=CC=CC=C1 99444662 CHEMBL550795 DB08192 2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BENZOPIPERIDINE BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Tetrahydroisoquinolines Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines [H][C@]1(CC2=C(CN1)C=CC=C2)C1=NC(C(O)=O)=C(S1)C(C)C 99444663 DB08194 "4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyranopyridines Organic compounds; Organoheterocyclic compounds; Pyranopyridines CC1=NC(N)=NC2=C1CSCC2 99444665 DB08195 (1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE BE0001646 CTSS P25774 CATS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Morpholine carboxylic acids Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines [H][C@@](CS(=O)(=O)CC1=C(OC(F)F)C=CC=C1)(OC(=O)N1CCOCC1)C(=O)NCC#N 99444666 DB08197 "(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines [H][C@]1(C\C(=N/O)C2=C(C1)N=C(N)N=C2C)C1=CC=C(F)C=C1C1=CC=CN=C1 99444668 CHEMBL1234416 DB08198 "[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE" BE0001852 KIF11 P52732 KIF11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoyl derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives [H][C@@]1(NC(=S)N(C)C(C)=C1C(=O)C1=CC=CC=C1)C1=CC(O)=CC=C1 99444669 CHEMBL522806 DB08200 (1R)-menthyl hexyl phosphonate group BE0002180 BCHE P06276 CHLE_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Menthane monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids CCCCCCP(O)(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 99444671 DB08201 (1S)-menthyl hexyl phosphonate group BE0002180 BCHE P06276 CHLE_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental CCCCCCP(O)(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C 99444672 DB08202 4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides CN1CCN(CC1)NC(=S)NC1=CC=C(C=C1)S(N)(=O)=O 99444673 DB08208 "2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE" BE0000870 MAP2K1 Q02750 MP2K1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives OCCONC(=O)C1=CC=C(F)C(F)=C1NC1=CC=C(C=C1F)C#C 99444679 DB08213 "1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE" BE0001162 CASP3 P42574 CASP3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indoles and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives [H][C@@]1(COC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC2=C(C=C1)N(C)C(=O)C2=O 99444684 CHEMBL293034 DB08214 4-(1H-IMIDAZOL-1-YL)PHENOL BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles OC1=CC=C(C=C1)N1C=CN=C1 99444685 CHEMBL275339 DB08217 "S-[(1-Hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate" BE0000957 EIF4E P06730 IF4E_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolines Organic compounds; Organoheterocyclic compounds; Pyrrolines CC1(C)C=C(CSS(C)(=O)=O)C(C)(C)N1O 99444688 DB08218 "HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental O=N(=O)C1=CC=CC(=C1)\N=C1\N=CCC(=N1)C1=CC=CC(CN2C=NC=N2)=C1 99444689 DB08218 "HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental O=N(=O)C1=CC=CC(=C1)\N=C1\N=CCC(=N1)C1=CC=CC(CN2C=NC=N2)=C1 99444689 DB08219 "4-Methyl-5-[(2Z)-2-{[4-(4-morpholinyl)phenyl]imino}-2,5-dihydro-4-pyrimidinyl]-1,3-thiazol-2-amine" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental CC1=C(SC(N)=N1)C1=N\C(=N/C2=CC=C(C=C2)N2CCOCC2)N=CC1 99444690 DB08219 "4-Methyl-5-[(2Z)-2-{[4-(4-morpholinyl)phenyl]imino}-2,5-dihydro-4-pyrimidinyl]-1,3-thiazol-2-amine" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental CC1=C(SC(N)=N1)C1=N\C(=N/C2=CC=C(C=C2)N2CCOCC2)N=CC1 99444690 DB08220 "(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid" BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-carboxy steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid acids [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C=C(CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(O)=O)C(=O)C1=CC=C(O)C=C1 99444691 DB08220 "(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid" BE0001777 NR1H4 Q96RI1 NR1H4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-carboxy steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid acids [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C=C(CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(O)=O)C(=O)C1=CC=C(O)C=C1 99444691 DB08229 [N-(3-dibenzylcarbamoyl-oxiranecarbonyl)-hydrazino]-acetic acid BE0001162 CASP3 P42574 CASP3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H]N([H])N(CC(O)=O)C(=O)CC([H])(O)C(=O)N(CC1=CC=CC=C1)CC1=CC=CC=C1 99444700 DB08231 Myristic acid BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Myristic Acids; Fatty Acids; Lipids CCCCCCCCCCCCCC(O)=O Fatty Acid Biosynthesis metabolic 99444702 Myristic_acid CHEMBL111077 1356758 DB08231 Myristic acid BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Myristic Acids; Fatty Acids; Lipids CCCCCCCCCCCCCC(O)=O Fatty Acid Biosynthesis metabolic 99444702 Myristic_acid CHEMBL111077 1356758 DB08231 Myristic acid BE0004233 ECI2 O75521 ECI2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Myristic Acids; Fatty Acids; Lipids CCCCCCCCCCCCCC(O)=O Fatty Acid Biosynthesis metabolic 99444702 Myristic_acid CHEMBL111077 1356758 DB08231 Myristic acid BE0000014 ABL1 P00519 ABL1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Myristic Acids; Fatty Acids; Lipids CCCCCCCCCCCCCC(O)=O Fatty Acid Biosynthesis metabolic 99444702 Myristic_acid CHEMBL111077 1356758 DB08231 Myristic acid BE0004019 HNF4A P41235 HNF4A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Myristic Acids; Fatty Acids; Lipids CCCCCCCCCCCCCC(O)=O Fatty Acid Biosynthesis metabolic 99444702 Myristic_acid CHEMBL111077 1356758 DB08231 Myristic acid BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Myristic Acids; Fatty Acids; Lipids CCCCCCCCCCCCCC(O)=O Fatty Acid Biosynthesis metabolic 99444702 Myristic_acid CHEMBL111077 1356758 DB08231 Myristic acid BE0000695 FKBP1A P62942 FKB1A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Myristic Acids; Fatty Acids; Lipids CCCCCCCCCCCCCC(O)=O Fatty Acid Biosynthesis metabolic 99444702 Myristic_acid CHEMBL111077 1356758 DB08231 Myristic acid BE0000358 PPP3R1 P63098 CANB1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Myristic Acids; Fatty Acids; Lipids CCCCCCCCCCCCCC(O)=O Fatty Acid Biosynthesis metabolic 99444702 Myristic_acid CHEMBL111077 1356758 DB08231 Myristic acid BE0004238 PPP3CA Q08209 PP2BA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Myristic Acids; Fatty Acids; Lipids CCCCCCCCCCCCCC(O)=O Fatty Acid Biosynthesis metabolic 99444702 Myristic_acid CHEMBL111077 1356758 DB08231 Myristic acid BE0003181 TRAPPC3 O43617 TPPC3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Myristic Acids; Fatty Acids; Lipids CCCCCCCCCCCCCC(O)=O Fatty Acid Biosynthesis metabolic 99444702 Myristic_acid CHEMBL111077 1356758 DB08231 Myristic acid BE0001432 GM2A P17900 SAP3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Myristic Acids; Fatty Acids; Lipids CCCCCCCCCCCCCC(O)=O Fatty Acid Biosynthesis metabolic 99444702 Myristic_acid CHEMBL111077 1356758 DB08231 Myristic acid BE0004242 ARF6 P62330 ARF6_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Myristic Acids; Fatty Acids; Lipids CCCCCCCCCCCCCC(O)=O Fatty Acid Biosynthesis metabolic 99444702 Myristic_acid CHEMBL111077 1356758 DB08231 Myristic acid BE0000071 PPARA Q07869 PPARA_HUMAN 10403814 "Murakami K, Ide T, Suzuki M, Mochizuki T, Kadowaki T: Evidence for direct binding of fatty acids and eicosanoids to human peroxisome proliferators-activated receptor alpha. Biochem Biophys Res Commun. 1999 Jul 14;260(3):609-13." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates Myristic Acids; Fatty Acids; Lipids CCCCCCCCCCCCCC(O)=O Fatty Acid Biosynthesis metabolic 99444702 Myristic_acid CHEMBL111077 1356758 DB08232 "[5-(5-Amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-6-hydroxy-3'-nitro-3-biphenylyl]acetic acid" BE0000333 F7 P08709 FA7_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives NC1=CC=C2NC(=CC2=N1)C1=CC(CC(O)=O)=CC(=C1O)C1=CC=CC(=C1)[N+]([O-])=O 99444703 CHEMBL377956 DB08233 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives OC1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1 99444704 CHEMBL340813 DB08233 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives OC1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1 99444704 CHEMBL340813 DB08234 "5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine" BE0000330 DHFR P00374 DYR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dimethoxybenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes CCC1=NC(N)=NC(N)=C1C#CCC1=CC(OC)=CC=C1OC 99444705 CHEMBL485961 DB08235 N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide BE0004249 ARPC1B O15143 ARC1B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles CC1=C(CCNC(=O)C2=CC=CS2)C2=CC=CC=C2N1 99444706 DB08235 N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide BE0004250 ACTR2 P61160 ARP2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles CC1=C(CCNC(=O)C2=CC=CS2)C2=CC=CC=C2N1 99444706 DB08235 N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide BE0004251 ACTR3 P61158 ARP3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles CC1=C(CCNC(=O)C2=CC=CS2)C2=CC=CC=C2N1 99444706 DB08235 N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide BE0004252 ARPC2 O15144 ARPC2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles CC1=C(CCNC(=O)C2=CC=CS2)C2=CC=CC=C2N1 99444706 DB08235 N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide BE0004253 ARPC3 O15145 ARPC3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles CC1=C(CCNC(=O)C2=CC=CS2)C2=CC=CC=C2N1 99444706 DB08235 N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide BE0004254 ARPC4 P59998 ARPC4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles CC1=C(CCNC(=O)C2=CC=CS2)C2=CC=CC=C2N1 99444706 DB08236 "(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one" BE0004249 ARPC1B O15143 ARC1B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental P-chlorophenols Organic compounds; Benzenoids; Phenols; Halophenols [H][C@]1(SCC(=O)N1C1=CC(Cl)=CC=C1O)C1=CC=CC(Br)=C1 99444707 DB08236 "(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one" BE0004250 ACTR2 P61160 ARP2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental P-chlorophenols Organic compounds; Benzenoids; Phenols; Halophenols [H][C@]1(SCC(=O)N1C1=CC(Cl)=CC=C1O)C1=CC=CC(Br)=C1 99444707 DB08236 "(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one" BE0004251 ACTR3 P61158 ARP3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental P-chlorophenols Organic compounds; Benzenoids; Phenols; Halophenols [H][C@]1(SCC(=O)N1C1=CC(Cl)=CC=C1O)C1=CC=CC(Br)=C1 99444707 DB08236 "(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one" BE0004252 ARPC2 O15144 ARPC2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental P-chlorophenols Organic compounds; Benzenoids; Phenols; Halophenols [H][C@]1(SCC(=O)N1C1=CC(Cl)=CC=C1O)C1=CC=CC(Br)=C1 99444707 DB08236 "(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one" BE0004253 ARPC3 O15145 ARPC3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental P-chlorophenols Organic compounds; Benzenoids; Phenols; Halophenols [H][C@]1(SCC(=O)N1C1=CC(Cl)=CC=C1O)C1=CC=CC(Br)=C1 99444707 DB08236 "(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one" BE0004254 ARPC4 P59998 ARPC4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental P-chlorophenols Organic compounds; Benzenoids; Phenols; Halophenols [H][C@]1(SCC(=O)N1C1=CC(Cl)=CC=C1O)C1=CC=CC(Br)=C1 99444707 DB08237 2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate) BE0003870 POLK Q9UBT6 POLK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine 2'-deoxyribonucleoside monophosphates "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides" [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=NC2=C1N=C(NCC1=CC=CC3=C1C=CC=C3)NC2=O 99444708 DB08238 5-aminonaphthalene-2-sulfonic acid BE0000689 FGF1 P05230 FGF1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-naphthalene sulfonates Organic compounds; Benzenoids; Naphthalenes; Naphthalene sulfonic acids and derivatives NC1=C2C=CC(=CC2=CC=C1)S(O)(=O)=O 99444709 CHEMBL1234578 DB08239 "(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE" BE0001852 KIF11 P52732 KIF11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrrolines Organic compounds; Organoheterocyclic compounds; Pyrrolines; Phenylpyrrolines [H][C@]1(C=C(CN1C(=O)N(C)C1CCNCC1)C1=CC(F)=CC=C1F)C1=CC=CC=C1 99444710 CHEMBL205437 DB08241 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives NC(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1 99444712 CHEMBL121941 DB08241 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives NC(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1 99444712 CHEMBL121941 DB08242 "N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide" BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CNC(=O)C1=CC(NC2=C3C=NN(C3=NC=N2)C2=CC=CC=C2)=C(C)C=C1 99444713 CHEMBL410668 DB08244 "(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE" BE0001852 KIF11 P52732 KIF11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](N)(C1CC1)C(=O)N1CC(=C[C@@]1([H])C1=CC=CC=C1)C1=CC(F)=CC=C1F 99444715 CHEMBL204459 DB08246 "(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE" BE0001852 KIF11 P52732 KIF11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrrolines Organic compounds; Organoheterocyclic compounds; Pyrrolines; Phenylpyrrolines [H][C@]1(C=C(CN1C(=O)N(C)C)C1=CC(F)=CC=C1F)C1=CC=CC=C1 99444717 CHEMBL380955 DB08247 6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives CC(C)C1=NC2=C(OCC3CCCCC3)N=C(N)N=C2N1 99444718 CHEMBL1234593 DB08248 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives NS(=O)(=O)C1=CC=CC(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)=C1 99444719 CHEMBL123368 DB08248 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives NS(=O)(=O)C1=CC=CC(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)=C1 99444719 CHEMBL123368 DB08250 "(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE" BE0001852 KIF11 P52732 KIF11_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CCNC(=O)N1N=C(C[C@@]1(CCCN)C1=CC=CC=C1)C1=C(F)C=CC(F)=C1 99444721 DB08251 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID BE0001162 CASP3 P42574 CASP3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines [H][C@@](CC(O)=O)(NC(=O)C1=CN=CC(=C1)C1=CC=C(C=C1)C(O)=O)C=O 99444722 CHEMBL310554 DB08271 N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID BE0003696 MMP20 O60882 MMP20_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides COC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)CC(=O)NO 99444742 CHEMBL311932 DB08276 trifluoro-[hydroxy-[hydroxy-[2-(N-methyl-2-nitro-anilino)ethoxy]phosphoryl]oxy-phosphoryl]oxy-beryllium(1-) BE0003893 MYH14 Q7Z406 MYH14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Organic pyrophosphates Organic compounds; Organic oxygen compounds; Organic oxoanionic compounds; Organic pyrophosphates CN(CCO[P@](O)(=O)O[P@@](O)(=O)O[Be-](F)(F)F)C1=CC=CC=C1[N+]([O-])=O 99444747 DB08277 "2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE" BE0000329 HSD11B1 P28845 DHI1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenol ethers Organic compounds; Benzenoids; Phenol ethers [H][C@@]12C[C@@]3([H])C[C@@](C1)(C[C@@]([H])(C2)[C@@]3([H])NC(=O)C(C)(C)OC1=C(Cl)C=C(F)C=C1)S(C)(=O)=O 99444748 DB08280 "(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE" BE0000329 HSD11B1 P28845 DHI1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles [H][C@@]12C[C@@]3([H])C[C@@](C1)(C[C@@]([H])(C2)[C@@]3([H])NC(=O)C(C)(C)OC1=CC=C(OC)C=C1)C(N)=O 99444751 DB08283 "(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL" BE0000978 GBA P04062 GLCM_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Piperidines Organic compounds; Organoheterocyclic compounds; Piperidines [H][C@]1(O)CN(CCCCCCCCC)[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O 99444754 CHEMBL408500 DB08285 "(2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-benzylamino-s-triazines Organic compounds; Organoheterocyclic compounds; Triazines; Aminotriazines [H][C@@](CC)(CO)NC1=NC2=C(C=NN2C(NCC2=CC=CC=C2)=N1)C(C)C 99444756 CHEMBL482193 DB08285 "(2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-benzylamino-s-triazines Organic compounds; Organoheterocyclic compounds; Triazines; Aminotriazines [H][C@@](CC)(CO)NC1=NC2=C(C=NN2C(NCC2=CC=CC=C2)=N1)C(C)C 99444756 CHEMBL482193 DB08291 N-(3-AMINOPROPYL)-2-NITROBENZENAMINE BE0002683 KAT2B Q92831 KAT2B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Nitrobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes NCCCNC1=CC=CC=C1[N+]([O-])=O 99444762 CHEMBL1234797 DB08292 "(5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE" BE0001898 HSP90AB1 P08238 HS90B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydroxybenzoic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives OC1=CC(O)=C2C(CC(=O)CCC\C=C/CCOC2=O)=C1Cl 99444763 DB08293 "(5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE" BE0001898 HSP90AB1 P08238 HS90B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydroxybenzoic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives OC1=CC(O)=C2C(CC(=O)CCC\C=C\CCOC2=O)=C1Cl 99444764 DB08299 "4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid" BE0001133 PDE4A P27815 PDE4A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines OC(=O)C1=CC=C(C=C1)C1=NC(C2=CC=CC(=C2)[N+]([O-])=O)=C2N=CC=CC2=C1 99444770 CHEMBL74078 DB08299 "4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid" BE0000487 PDE4B Q07343 PDE4B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines OC(=O)C1=CC=C(C=C1)C1=NC(C2=CC=CC(=C2)[N+]([O-])=O)=C2N=CC=CC2=C1 99444770 CHEMBL74078 DB08299 "4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid" BE0001287 PDE4D Q08499 PDE4D_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines OC(=O)C1=CC=C(C=C1)C1=NC(C2=CC=CC(=C2)[N+]([O-])=O)=C2N=CC=CC2=C1 99444770 CHEMBL74078 DB08300 "1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine" BE0001315 PIK3CG P48736 PK3CG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenes Organic compounds; Benzenoids; Naphthalenes CN1N=C(C2=C(N)N=CN=C12)C1=CC2=CC=CC=C2C=C1 99444771 CHEMBL1234815 DB08301 N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1=CC=C(C=C1)S(N)(=O)=O 99444772 CHEMBL78755 DB08302 3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives CCC\C(=C\C1=CC=C(O1)C1=CC(=CC=C1)C(O)=O)[N+]([O-])=O 99444773 DB08303 "(3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide" BE0000829 GRIA2 P42262 GRIA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines [H][C@@]1(NC2=CC(C)=C(C=C2S(=O)(=O)N1)S(=O)(=O)N1CCN(C)CC1)C1CCCC1 99444774 DB08304 "(3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide" BE0000829 GRIA2 P42262 GRIA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines [H][C@@]1(CC2=C(C=C(C=C2)S(=O)(=O)N2CCN(C)CC2)S(=O)(=O)N1)C1CCCC1 99444775 DB08305 "(3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide" BE0000829 GRIA2 P42262 GRIA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines [H][C@@]1(CC2=CC(C)=C(C=C2S(=O)(=O)N1)S(=O)(=O)N1CCN(C)CC1)C1CCCC1 99444776 DB08309 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives OCCCNCCS(=O)(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1 99444780 DB08309 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hypoxanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives OCCCNCCS(=O)(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1 99444780 DB08312 "6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminopyrimidines and derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives NC1=NC(N)=C(N=O)C(OCC2CCCCC2)=N1 99444783 CHEMBL303958 DB08320 "DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE" BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes [H][C@]12O[C@]([H])(C(=C1C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)[C@]([H])(C(=O)OCC)[C@]2([H])C(=O)OCC 99444791 DB08320 "DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE" BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes [H][C@]12O[C@]([H])(C(=C1C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)[C@]([H])(C(=O)OCC)[C@]2([H])C(=O)OCC 99444791 DB08321 "(1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol" BE0003505 MAN2A1 Q16706 MA2A1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Cyclitols and derivatives Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols [H][C@@]1(O)C(CO)=C[C@@]([H])(NCCCCCCCC)[C@]([H])(O)[C@@]1([H])O 99444792 CHEMBL1234952 DB08325 2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol BE0004270 CSNK1G1 Q9HCP0 KC1G1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives [H]N(CCO)C1=NC(N([H])C2=CC(Cl)=CC=C2)=C2N=CN(C(C)C)C2=N1 99444796 CHEMBL311228 DB08325 2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol BE0004271 MERTK Q12866 MERTK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives [H]N(CCO)C1=NC(N([H])C2=CC(Cl)=CC=C2)=C2N=CN(C(C)C)C2=N1 99444796 CHEMBL311228 DB08329 Sulthiame BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides Central Nervous System Agents; Central Nervous System Depressants; Sulfones; Gynecological Antiinfectives and Antiseptics; Nervous System; Amides; Genito Urinary System and Sex Hormones; Benzene Derivatives; Sulfur Compounds; Sulfonamides; Anticonvulsants NS(=O)(=O)C1=CC=C(C=C1)N1CCCCS1(=O)=O 99444800 Sultiame CHEMBL328560 10240 DB08330 METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE BE0001005 UQCRC1 P31930 QCR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes CO\C=C(\C(=O)OC)C1=C(\C=C\C2=CC=CC=C2)C=CC=C1 99444801 DB08330 METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE BE0003855 UQCRC2 P22695 QCR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes CO\C=C(\C(=O)OC)C1=C(\C=C\C2=CC=CC=C2)C=CC=C1 99444801 DB08330 METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE BE0003856 UQCRH P07919 QCR6_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes CO\C=C(\C(=O)OC)C1=C(\C=C\C2=CC=CC=C2)C=CC=C1 99444801 DB08330 METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE BE0003858 UQCRFS1 P47985 UCRI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes CO\C=C(\C(=O)OC)C1=C(\C=C\C2=CC=CC=C2)C=CC=C1 99444801 DB08330 METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE BE0003859 UQCR11 O14957 QCR10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes CO\C=C(\C(=O)OC)C1=C(\C=C\C2=CC=CC=C2)C=CC=C1 99444801 DB08338 "19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one" BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Macrolactams Organic compounds; Phenylpropanoids and polyketides; Macrolactams O=C1CCCCC2=C3N=C(NC4=CC(N1)=CC=C4)N=C(NC1CC1)N3N=C2 99444809 CHEMBL404508 DB08339 PD-166326 BE0000014 ABL1 P00519 ABL1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines CN1C(=O)C(=CC2=CN=C(NC3=CC=CC(CO)=C3)N=C12)C1=C(Cl)C=CC=C1Cl 99444810 CHEMBL327127 DB08340 "N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE" BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrazolotriazines Organic compounds; Organoheterocyclic compounds; Pyrazolotriazines N(C1=CC=CC=C1)C1=NC2=CC=NN2C(NC2=CC=CC=C2)=N1 99444811 CHEMBL231095 DB08341 "4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide" BE0000871 PTK2B Q14289 FAK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides [H][C@]1(CCC[C@@]1([H])N(C)C)NC1=NC(NC2=CC=C(C=C2)S(=O)(=O)NC)=NC=C1C(F)(F)F 99444812 CHEMBL509485 DB08342 S-palmitoyl-L-cysteine BE0003181 TRAPPC3 O43617 TPPC3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-cysteine-S-conjugates "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CCCCCCCCCCCCCCCC(=O)SC[C@H](N)C(O)=O 99444813 DB08342 S-palmitoyl-L-cysteine BE0004276 TRAPPC6B Q86SZ2 TPC6B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-cysteine-S-conjugates "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CCCCCCCCCCCCCCCC(=O)SC[C@H](N)C(O)=O 99444813 DB08342 S-palmitoyl-L-cysteine BE0004277 TRAPPC5 Q8IUR0 TPPC5_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental L-cysteine-S-conjugates "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" CCCCCCCCCCCCCCCC(=O)SC[C@H](N)C(O)=O 99444813 DB08345 "4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE" BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrazolotriazines Organic compounds; Organoheterocyclic compounds; Pyrazolotriazines N#CC1=C2N=C(NC3=CC=CC=C3)N=C(NCCC3=CN=CN3)N2N=C1 99444816 CHEMBL389767 DB08346 "(5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE" BE0001898 HSP90AB1 P08238 HS90B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydroxybenzoic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives OC1=CC(O)=C2C(CC(=O)CCCC\C=C\CCOC2=O)=C1Cl 99444817 CHEMBL1235084 DB08348 "N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE" BE0004281 EEF2 P13639 EF2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenanthridines and derivatives Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines CN(C)CC(=O)NC1=CC2=C(NC(=O)C3=CC=CC=C23)C=C1 99444819 CHEMBL372303 DB08348 "N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE" BE0004283 PARP15 Q460N3 PAR15_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenanthridines and derivatives Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines CN(C)CC(=O)NC1=CC2=C(NC(=O)C3=CC=CC=C23)C=C1 99444819 CHEMBL372303 DB08349 "N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide" BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles CN1C2=C(C=NN2C2=C(F)C=C(F)C=C2)C(NC2=C(C)C=CC(=C2)C(=O)NC2CC2)=CC1=O 99444820 CHEMBL559401 DB08350 "5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE" BE0000014 ABL1 P00519 ABL1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Bipyridines and oligopyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines COC1=CC=CC=C1C1=CNC2=C1C=C(C=N2)C1=CC(=CN=C1)C(=O)N(C)C 99444821 DB08351 N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines CC1=CC=C(C=C1C1=CC2=C(C=C1)N=C(NCCN1CCOCC1)N=C2)C(=O)NC1CC1 99444822 CHEMBL494072 DB08352 "6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine" BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Phenyl-1,3-oxazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles CC(C)NC1=NC2=C(S1)C=C(C=C2)C1=C(N=CO1)C1=CC=CC=C1F 99444823 CHEMBL257341 DB08353 "2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE" BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrazolotriazines Organic compounds; Organoheterocyclic compounds; Pyrazolotriazines N#CC1=C2N=C(NCC3CCCCC3)N=C(NC3=CC=CC=C3)N2N=C1 99444824 CHEMBL438303 DB08354 "2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE" BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 2-benzylamino-s-triazines Organic compounds; Organoheterocyclic compounds; Triazines; Aminotriazines ClC1=CC=C(CNC2=NC3=C(C=NN3C(NC3=CC=CC=C3)=N2)C#N)C=C1 99444825 CHEMBL230347 DB08355 "1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines CN1N=C(C(O)=O)C2=C1C1=NC(NC3=CC=CC=C3)=NC=C1CC2 99444826 CHEMBL1098060 DB08355 "1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines CN1N=C(C(O)=O)C2=C1C1=NC(NC3=CC=CC=C3)=NC=C1CC2 99444826 CHEMBL1098060 DB08358 "2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE" BE0001373 MAPKAPK2 P49137 MAPK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Bipyridines and oligopyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines O=C1NCCC2=C1C=C(N2)C1=CC(=NC=C1)C1=CC2=C(C=CC=C2)N=C1 99444829 CHEMBL226403 DB08358 "2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE" BE0004064 MAPKAPK3 Q16644 MAPK3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Bipyridines and oligopyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines O=C1NCCC2=C1C=C(N2)C1=CC(=NC=C1)C1=CC2=C(C=CC=C2)N=C1 99444829 CHEMBL226403 DB08360 "2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE" BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines CCN1CCN(CC1)C1=NC2=C(C=NN2C(NC2=CC=CC=C2)=N1)C#N 99444831 CHEMBL230137 DB08361 "2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide" BE0001316 SYK P43405 KSYK_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrimidinecarboxamides Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives [H][C@]1(N)CCCC[C@@]1([H])NC1=NC(NC2=CC=CC(C)=C2)=C(C=N1)C(N)=O 99444832 CHEMBL1235110 DB08362 "N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE" BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Acetanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides CC(=O)NC1=CC=CC(NC2=NC3=C(C=NN3C(NC3=CC=CC=C3)=N2)C#N)=C1 99444833 CHEMBL230354 DB08363 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine BE0003380 TP53 P04637 P53_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Carbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles CCN1C2=CC=C(CNC)C=C2C2=C1C=CC=C2 99444834 CHEMBL1235116 DB08365 "8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide" BE0003335 WEE1 P30291 WEE1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrroloindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles CN1C2=C(C(Br)=C1C(=O)NCCO)C1=C(C(=O)NC1=O)C(=C2)C1=C(Cl)C=CC=C1 99444836 DB08371 p-Benzoyl-L-phenylalanine BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Ketones; Amino Acids, Cyclic; Benzene Derivatives; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic" N[C@@H](CC1=CC=C(C=C1)C(=O)C1=CC=CC=C1)C(O)=O 99444842 DB08371 p-Benzoyl-L-phenylalanine BE0000230 YARS P54577 SYYC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Ketones; Amino Acids, Cyclic; Benzene Derivatives; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic" N[C@@H](CC1=CC=C(C=C1)C(=O)C1=CC=CC=C1)C(O)=O 99444842 DB08378 "4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID" BE0004292 MYL6B P14649 MYL6B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Gamma amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](O)(CCC(O)=O)NC1=CC=C(C=C1)N1C(=O)CCC1=O 99444849 DB08383 "4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole" BE0000631 PDE10A Q9Y233 PDE10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles COC1=CC=C(C=C1)C1=C(N=C(N1)C1=CC=CS1)C1=CC=C(OC)C=C1 99444854 CHEMBL1235237 DB08384 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline BE0000631 PDE10A Q9Y233 PDE10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles C(OC1=CC=C(C=C1)C1=NNC=C1CC1=CC=NC=C1)C1=NC2=CC=CC=C2C=C1 99444855 CHEMBL562317 DB08385 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid BE0002194 FAAH O00519 FAAH1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinolines and derivatives Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives OC(=O)N1CCC(CC2=CN=C3C=CC=CC3=C2)CC1 99444856 DB08386 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline BE0000631 PDE10A Q9Y233 PDE10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles C(OC1=CC=C(C=C1)C1=NNC=C1C1=CC=NC=C1)C1=CC=C2C=CC=CC2=N1 99444857 CHEMBL560377 DB08387 Mardepodect BE0000631 PDE10A Q9Y233 PDE10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles "Heterocyclic Compounds, Fused-Ring" CN1C=C(C(=N1)C1=CC=C(OCC2=NC3=CC=CC=C3C=C2)C=C1)C1=CC=NC=C1 99444858 Mardepodect CHEMBL562318 DB08389 "6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE" BE0000631 PDE10A Q9Y233 PDE10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines [H][C@]1(CCN(C1)C1=NC=NC2=CC(OC)=C(OC)C=C12)OC1=CC2=CC=CC=C2C=C1 99444860 CHEMBL410834 DB08391 PQ-10 BE0000631 PDE10A Q9Y233 PDE10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines COC1=CC2=NC=NC(N3CC[C@H](C3)OC3=NC4=CC=CC=C4N=C3)=C2C=C1OC 99444862 Culver_PQ-10 CHEMBL219445 DB08392 "2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,3-diphenylfurans" Organic compounds; Organoheterocyclic compounds; Furans; Diphenylfurans COC1=CC=C(C=C1)C1=C(C2=C(NCCO)N=CN=C2O1)C1=CC=C(OC)C=C1 99444863 CHEMBL190201 DB08393 "2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,3-diphenylfurans" Organic compounds; Organoheterocyclic compounds; Furans; Diphenylfurans OCCNC1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1 99444864 CHEMBL189434 DB08395 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers CCOCN1OC(=O)C(=C1C1=CC=NC(OC2=CC=CC=C2O)=N1)C1=CC=C(F)C=C1 99444866 CHEMBL371491 DB08397 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Naphthalenecarboxylic acids Organic compounds; Benzenoids; Naphthalenes; Naphthalenecarboxylic acids and derivatives OC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(F)(F)P(O)(O)=O 99444868 CHEMBL99447 DB08398 "2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine" BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines Mutagens; Carcinogens; Toxic Actions; Noxae CN1C(N)=NC2=NC=C(C=C12)C1=CC=CC=C1 99444869 "2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine" CHEMBL1213271 DB08398 "2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine" BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines Mutagens; Carcinogens; Toxic Actions; Noxae CN1C(N)=NC2=NC=C(C=C12)C1=CC=CC=C1 99444869 "2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine" CHEMBL1213271 DB08399 Piceatannol BE0003840 ATP5A1 P25705 ATPA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes Benzylidene Compounds; Tyrosine Kinase Inhibitors; Benzene Derivatives OC1=CC(\C=C\C2=CC=C(O)C(O)=C2)=CC(O)=C1 99444870 Piceatannol CHEMBL69863 DB08399 Piceatannol BE0003841 ATP5B P06576 ATPB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes Benzylidene Compounds; Tyrosine Kinase Inhibitors; Benzene Derivatives OC1=CC(\C=C\C2=CC=C(O)C(O)=C2)=CC(O)=C1 99444870 Piceatannol CHEMBL69863 DB08400 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid BE0002194 FAAH O00519 FAAH1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 4-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines OC(=O)N1CCC(CC2=CC(OC3=NC=C(C=C3)C(F)(F)F)=CC=C2)CC1 99444871 DB08402 "2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID" BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides OC(=O)C1=C(NC(=O)C2=C(Cl)C=C(Cl)C=C2)C=CC(OC2=NC=CC=N2)=C1 99444873 CHEMBL1204498 DB08402 "2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID" BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides OC(=O)C1=C(NC(=O)C2=C(Cl)C=C(Cl)C=C2)C=CC(OC2=NC=CC=N2)=C1 99444873 CHEMBL1204498 DB08402 "2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID" BE0000412 RXRA P19793 RXRA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides OC(=O)C1=C(NC(=O)C2=C(Cl)C=C(Cl)C=C2)C=CC(OC2=NC=CC=N2)=C1 99444873 CHEMBL1204498 DB08403 METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID BE0001182 MMP8 P22894 MMP8_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)NC 99444874 CHEMBL11306 DB08406 "[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE" BE0000330 DHFR P00374 DYR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dibenzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines NC1=NC2=C(N=C(CN3C4=CC=CC=C4C=CC4=CC=CC=C34)C=N2)C(N)=N1 99444877 CHEMBL301769 DB08416 "(9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE" BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=C(C=C(OC)C(OS(N)(=O)=O)=C4)[C@@]3([H])CC[C@]12C)OS(N)(=O)=O 99444887 CHEMBL218382 DB08418 "(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate" BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives [H][C@]12CC[C@]3(C)C(=O)N(CC4=CC=CN=C4)C(=O)C[C@@]3([H])[C@]1([H])CCC1=C2C=CC(OS(N)(=O)=O)=C1 99444889 CHEMBL1235380 DB08423 [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoylpyrazoles Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives NC1=C(C=NN1C1=CC=C(F)C=C1)C(=O)C1=CC(OC2CCNCC2)=CC=C1 99444894 DB08424 "[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE" BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoylpyrazoles Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives [H][C@](O)(CO)COC1=CC(=CC=C1)C(=O)C1=C(N)N(N=C1)C1=CC=C(F)C=C1 99444895 CHEMBL203567 DB08426 "THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE" BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@]1(CCN(CC2=CC3=C(N2)C=NC=C3)C1=O)NS(=O)(=O)C1=CC2=C(S1)C=CC=N2 99444897 CHEMBL1235423 DB08430 PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE BE0004111 LCTL Q6UWM7 LCTL_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thioglycosides Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@]1(CO)O[C@@]([H])(SC2=CC=C(C=C2)[N+]([O-])=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O 99444901 DB08435 "(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid" BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Prostaglandins and related compounds Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids [H][C@]1(C\C=C\CCCC(O)=O)C=CC(=O)\C1=C/C=C/CCCCC 99444906 CHEMBL1210221 DB08436 "8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-aminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives CCCCN1C(CC2=CC3=C(OCO3)C=C2)=NC2=C(N)N=CN=C12 99444907 CHEMBL326564 DB08437 Puromycin BE0003824 RPL13A P40429 RL13A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Purine 3'-deoxyribonucleosides "Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 3'-deoxyribonucleosides" "Purines; Agents that produce neuromuscular block (indirect); Glycosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Carbohydrates; Anti-Bacterial Agents; Nephrotoxic agents; Noxae; Protein Synthesis Inhibitors; Trypanocidal Agents; Antiprotozoals; Antineoplastic Agents; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; Nucleic Acids, Nucleotides, and Nucleosides; Antiparasitic Agents; Anti-Infective Agents; Toxic Actions; Cinnamates; Aminoglycoside Antibacterials" COC1=CC=C(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)N2C=NC3=C2N=CN=C3N(C)C)C=C1 99444908 Puromycin CHEMBL469912 DB08441 "6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Halopyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives BrC1=C2NCCCNS(=O)(=O)C3=CC=CC(NC(N=C1)=N2)=C3 99444912 CHEMBL1235529 DB08442 "4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrrolidines Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines [H][C@@]1(CCCN1C(=O)C1=C(O)C=C(O)C=C1)C1=CC=CC=C1C 99444913 CHEMBL470365 DB08443 "2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Salicylamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives OC1=CC(O)=C(C(=O)N2C=CC=C2)C(O)=C1 99444914 CHEMBL513225 DB08448 "(4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol" BE0000330 DHFR P00374 DYR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines [H][C@]12C=CCC=C1C=CC1=CC(O)=CC=C1N2CC1=NC2=C(N)N=C(N)N=C2N=C1 99444919 DB08450 N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine BE0003782 TGFBR1 P36897 TGFR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyridinylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives CC1=CC=CC(=N1)C1=NC(NC2=CC=C3NN=CC3=C2)=C2C=CC=CC2=N1 99444921 CHEMBL537968 DB08453 2-Nonyl-4-quinolinol 1-oxide BE0001005 UQCRC1 P31930 QCR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 4-hydroxy-2-alkylquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; 4-hydroxy-2-alkylquinolines CCCCCCCCCC1=[N+]([O-])C2=CC=CC=C2C(O)=C1 99444924 CHEMBL1235570 DB08453 2-Nonyl-4-quinolinol 1-oxide BE0003855 UQCRC2 P22695 QCR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 4-hydroxy-2-alkylquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; 4-hydroxy-2-alkylquinolines CCCCCCCCCC1=[N+]([O-])C2=CC=CC=C2C(O)=C1 99444924 CHEMBL1235570 DB08453 2-Nonyl-4-quinolinol 1-oxide BE0003856 UQCRH P07919 QCR6_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 4-hydroxy-2-alkylquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; 4-hydroxy-2-alkylquinolines CCCCCCCCCC1=[N+]([O-])C2=CC=CC=C2C(O)=C1 99444924 CHEMBL1235570 DB08453 2-Nonyl-4-quinolinol 1-oxide BE0003858 UQCRFS1 P47985 UCRI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 4-hydroxy-2-alkylquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; 4-hydroxy-2-alkylquinolines CCCCCCCCCC1=[N+]([O-])C2=CC=CC=C2C(O)=C1 99444924 CHEMBL1235570 DB08453 2-Nonyl-4-quinolinol 1-oxide BE0003859 UQCR11 O14957 QCR10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 4-hydroxy-2-alkylquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; 4-hydroxy-2-alkylquinolines CCCCCCCCCC1=[N+]([O-])C2=CC=CC=C2C(O)=C1 99444924 CHEMBL1235570 DB08454 N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE BE0004324 CAMK1D Q8IU85 KCC1D_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines CC1=CC(NC2=C3C=CC=CC3=NC(=N2)C2=CC=CC=C2)=NN1 99444925 CHEMBL359482 DB08461 "3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL" BE0000132 AR P10275 ANDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Pyrazolo[3,4-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrazolopyrimidines; Pyrazolo[3,4-d]pyrimidines" CC(C)(C)N1N=C(CC2=CC(O)=CC=C2)C2=C1N=CN=C2N 99444932 CHEMBL259420 DB08462 N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines C=CC(=O)NC1=CC=C2N=CN=C(NC3=CC=CC=C3)C2=C1 99444933 CHEMBL1221699 DB08463 (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines [H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(NCC2=CC=C(C=C2)C2=CC=CC=N2)=N1 99444934 CHEMBL518800 DB08463 (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines [H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(NCC2=CC=C(C=C2)C2=CC=CC=N2)=N1 99444934 CHEMBL518800 DB08464 "METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE" BE0001898 HSP90AB1 P08238 HS90B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental p-Hydroxybenzoic acid alkyl esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives COC(=O)C1=C(CCC(=O)NC2=C(O)C=C(OC)C(O)=C2)C(Cl)=C(O)C=C1O 99444935 DB08464 "METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE" BE0001165 HSP90B1 P14625 ENPL_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental p-Hydroxybenzoic acid alkyl esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives COC(=O)C1=C(CCC(=O)NC2=C(O)C=C(OC)C(O)=C2)C(Cl)=C(O)C=C1O 99444935 DB08465 "2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE" BE0001898 HSP90AB1 P08238 HS90B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental p-Hydroxybenzoic acid alkyl esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives COC1=CC(N)=C(OC)C(CCOC(=O)C2=C(O)C=C(O)C(Cl)=C2)=C1OC 99444936 DB08465 "2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE" BE0001165 HSP90B1 P14625 ENPL_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental p-Hydroxybenzoic acid alkyl esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives COC1=CC(N)=C(OC)C(CCOC(=O)C2=C(O)C=C(O)C(Cl)=C2)=C1OC 99444936 DB08466 "5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol" BE0001680 LTA4H P09960 LKHA4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1 99444937 CHEMBL111234 DB08473 Dichlororibofuranosylbenzimidazole BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzimidazole ribonucleosides and ribonucleotides "Organic compounds; Nucleosides, nucleotides, and analogues; Benzimidazole ribonucleosides and ribonucleotides" "Ribonucleosides; Nucleic Acid Synthesis Inhibitors; Enzyme Inhibitors; Nucleosides; Nucleic Acids, Nucleotides, and Nucleosides" OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=CC(Cl)=C(Cl)C=C12 99444944 "5,6-Dichloro-1-beta-D-ribofuranosylbenzimidazole" CHEMBL375530 DB08476 3-AMINO-AZACYCLOTRIDECAN-2-ONE BE0001182 MMP8 P22894 MMP8_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Macrolactams Organic compounds; Phenylpropanoids and polyketides; Macrolactams [H][C@]1(N)CCCCCCCCCCNC1=O 99444947 DB08487 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" NC(=N)C1=CC(CN2CCN(CC2=O)S(=O)(=O)C2=CC3=C(S2)C=C(Cl)C=C3)=CC=C1 99444958 CHEMBL351298 DB08488 "4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE" BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" ClC1=CC=C(S1)\C=C\S(=O)(=O)N1CCN(CC2=CC3=C(N2)C=CN=C3)C(=O)C1 99444959 DB08489 "N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE" BE0003690 MMP7 P09237 MMP7_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Macrolactams Organic compounds; Phenylpropanoids and polyketides; Macrolactams [H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]1([H])CC2=CN(CCCCCCNC1=O)C1=C2C=CC=C1 99444960 CHEMBL281795 DB08493 "5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID" BE0003690 MMP7 P09237 MMP7_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Macrolactams Organic compounds; Phenylpropanoids and polyketides; Macrolactams [H][C@@](CC(C)C)(CC(O)=O)C(=O)N[C@@]1([H])CC2=CN(CCCCCCNC1=O)C1=C2C=CC=C1 99444964 CHEMBL282146 DB08495 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" NC(=N)C1=CC=C(CN2CCN(CC2=O)S(=O)(=O)C2=CC3=C(S2)C=C(Cl)C=C3)C=C1 99444966 CHEMBL48813 DB08497 "(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate" BE0001162 CASP3 P42574 CASP3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,4-isoquinolinediones" "Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; 1,4-isoquinolinediones" [H][C@@](OC(C)=O)(C(=O)NC1=CC=CC2=C1C(=O)C(=O)NC2=O)C1=CC=CC=C1 99444968 DB08498 "(1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate" BE0001162 CASP3 P42574 CASP3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,4-isoquinolinediones" "Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; 1,4-isoquinolinediones" [H][C@@](OC(C)=O)(C(=O)NC1=CC=CC2=C1C(=O)C(=O)NC2=O)C1=CC=CC(Cl)=C1 99444969 DB08499 "N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide" BE0001162 CASP3 P42574 CASP3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,4-isoquinolinediones" "Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; 1,4-isoquinolinediones" FCCOC1=CC=CC(NC(=O)CCC(=O)NC2=CC=C3C(=O)NC(=O)C(=O)C3=C2)=C1 99444970 DB08513 [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID BE0000923 MAPK1 P28482 MK01_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrimidinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives CC1=CC(NC2=NC(NC3=CC=C(CC(O)=O)C=C3)=NC=C2C(N)=O)=CC=C1 99444984 DB08513 [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID BE0000033 INSR P06213 INSR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrimidinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives CC1=CC(NC2=NC(NC3=CC=C(CC(O)=O)C=C3)=NC=C2C(N)=O)=CC=C1 99444984 DB08513 [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID BE0000977 IRS1 P35568 IRS1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrimidinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives CC1=CC(NC2=NC(NC3=CC=C(CC(O)=O)C=C3)=NC=C2C(N)=O)=CC=C1 99444984 DB08515 "(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE" BE0003910 PSMA1 P25786 PSA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Furopyrroles Organic compounds; Organoheterocyclic compounds; Furopyrroles [H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O 99444986 DB08515 "(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE" BE0003911 PSMA2 P25787 PSA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Furopyrroles Organic compounds; Organoheterocyclic compounds; Furopyrroles [H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O 99444986 DB08515 "(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE" BE0003914 PSMA5 P28066 PSA5_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Furopyrroles Organic compounds; Organoheterocyclic compounds; Furopyrroles [H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O 99444986 DB08515 "(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE" BE0003916 PSMA7 O14818 PSA7_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Furopyrroles Organic compounds; Organoheterocyclic compounds; Furopyrroles [H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O 99444986 DB08515 "(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE" BE0002347 PSMB1 P20618 PSB1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Furopyrroles Organic compounds; Organoheterocyclic compounds; Furopyrroles [H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O 99444986 DB08515 "(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE" BE0002349 PSMB2 P49721 PSB2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Furopyrroles Organic compounds; Organoheterocyclic compounds; Furopyrroles [H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O 99444986 DB08515 "(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE" BE0003917 PSMB3 P49720 PSB3_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Furopyrroles Organic compounds; Organoheterocyclic compounds; Furopyrroles [H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O 99444986 DB08515 "(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE" BE0003918 PSMB4 P28070 PSB4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Furopyrroles Organic compounds; Organoheterocyclic compounds; Furopyrroles [H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O 99444986 DB08515 "(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE" BE0002348 PSMB5 P28074 PSB5_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Furopyrroles Organic compounds; Organoheterocyclic compounds; Furopyrroles [H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O 99444986 DB08515 "(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE" BE0003920 PSMB7 Q99436 PSB7_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Furopyrroles Organic compounds; Organoheterocyclic compounds; Furopyrroles [H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O 99444986 DB08520 "(21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE" BE0000695 FKBP1A P62942 FKB1A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Macrolide lactams Organic compounds; Phenylpropanoids and polyketides; Macrolide lactams [H][C@@]12CCCCN1C(=O)C(=O)C(C)(C)COC(=O)CCCCCCCCCCCOC2=O 99444991 CHEMBL1235837 DB08521 4-[4-(4-Fluorophenyl)-2-[4-[(R)-methylsulfinyl]phenyl]-1H-imidazol-5-yl]pyridine BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=NC=C1)C1=CC=C(F)C=C1 99444992 DB08521 4-[4-(4-Fluorophenyl)-2-[4-[(R)-methylsulfinyl]phenyl]-1H-imidazol-5-yl]pyridine BE0000923 MAPK1 P28482 MK01_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=NC=C1)C1=CC=C(F)C=C1 99444992 DB08522 4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles FC1=CC=C(C=C1)C1=C(N(CC2CC2)C=N1)C1=CC=NC=C1 99444993 CHEMBL96741 DB08526 CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE BE0003970 CTSH P09668 CATH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Leucine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](O)(COC)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CC(C)C)NC(=O)OCC1=CC=CC=C1 99444997 DB08527 "1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE" BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indazole-3-carboxamides Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles NC(=O)C1=NN(C2=C1C=CC1=C2C=NN1)C1=CC=C(C=C1)S(N)(=O)=O 99444998 CHEMBL360520 DB08527 "1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indazole-3-carboxamides Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles NC(=O)C1=NN(C2=C1C=CC1=C2C=NN1)C1=CC=C(C=C1)S(N)(=O)=O 99444998 CHEMBL360520 DB08531 "5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives ClC1=CC=CC(=C1Cl)C1=NC2=CC=NN2C(NCC2=CC=NC=C2)=C1 99445002 CHEMBL403350 DB08532 "6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Imidazopyrazines Organic compounds; Organoheterocyclic compounds; Imidazopyrazines FC1=CC=CC=C1C1=CN2C=CN=C2C(NCC2=CC=CN=C2)=N1 99445003 DB08533 "3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Imidazopyrazines Organic compounds; Organoheterocyclic compounds; Imidazopyrazines CC1=CN=C2N1C=CN=C2NCC1=CC=NC=C1 99445004 DB08534 "5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives FC1=CC=CC=C1C1=NC2=CC=NN2C(NCC2=CC=NC=C2)=C1 99445005 DB08535 "3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives BrC1=C2N=C(C=C(NCC3=CC=CN=C3)N2N=C1)C1=CC=CC=C1 99445006 CHEMBL249530 DB08536 "3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines BrC1=C2C=C(C=C(NCC3=CN=CN=C3)N2N=C1)C1=CC=CC=C1 99445007 DB08537 "3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines BrC1=CN=C2N1C=C(C=C2NCC1=CN=CN=C1)C1=CC=CC=C1 99445008 DB08538 "N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives CCC1=C2N=C(C=C(NCC3=CN=C(N)N=C3)N2N=C1)C1=C(F)C=CC=C1F 99445009 DB08539 "3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives C(NC1=CC(=NC2=C(C=NN12)C1CC1)C1=CC=CC=C1)C1=CN=CC=C1 99445010 CHEMBL249736 DB08549 "(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER" BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@]1(CC2=C(CN1C(=O)OCC1=CC=CC=C1)C=C(NS(O)(=O)=O)C=C2)C(=O)NC 99445020 CHEMBL1185001 DB08553 "(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime" BE0000634 BRAF P15056 BRAF_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indanes Organic compounds; Benzenoids; Indanes O\N=C1/CCC2=CC(=CC=C12)C1=CN(N=C1C1=CC=NC=C1)C1CCNCC1 99445024 CHEMBL526479 DB08555 "1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline" BE0001097 MAPK10 P53779 MK10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Dihydroisoquinolines Organic compounds; Organoheterocyclic compounds; Dihydroisoquinolines COC1=CC2=C(C=C1Cl)C(=NCC2)C1=CC=CC(Br)=C1 99445026 CHEMBL1083185 DB08557 "2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Carbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles COCCNC1=CC(=CC=C1C(N)=O)N1C2=C(C3=CC=CC=C13)C(=O)CCC2 99445028 CHEMBL410448 DB08558 "2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL" BE0004338 LCT P09848 LPH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thioglycosides Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates [H][C@]1(CO)O[C@@]([H])(SCCCCCCCC)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O 99445029 DB08560 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles FC1=CC=C(C=C1)N1N=C(C=C1NS(=O)(=O)C1=CC=CC(F)=C1)C1=CC=CS1 99445031 CHEMBL378160 DB08564 (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide BE0000838 SRC P12931 SRC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines CN(C)C\C=C\C(=O)NC1=CC=C2N=CN=C(NC3=CC(Br)=CC=C3)C2=C1 99445035 CHEMBL94061 DB08568 A-674563 BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Amphetamines and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines "Pyrazoles; Heterocyclic Compounds, Fused-Ring" CC1=NNC2=C1C=C(C=C2)C1=CC(OC[C@@H](N)CC2=CC=CC=C2)=CN=C1 99445039 CHEMBL379218 DB08568 A-674563 BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Amphetamines and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines "Pyrazoles; Heterocyclic Compounds, Fused-Ring" CC1=NNC2=C1C=C(C=C2)C1=CC(OC[C@@H](N)CC2=CC=CC=C2)=CN=C1 99445039 CHEMBL379218 DB08569 "3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE" BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Amphetamines and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines [H][C@@](N)(COC1=CN=CC(=C1)C1=CC2=C(NN=C2C)C=C1)CC1=CC=C(Br)C=C1 99445040 CHEMBL229855 DB08569 "3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE" BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Amphetamines and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines [H][C@@](N)(COC1=CN=CC(=C1)C1=CC2=C(NN=C2C)C=C1)CC1=CC=C(Br)C=C1 99445040 CHEMBL229855 DB08572 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives NC(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C(N=O)C(N)=N2)C=C1 99445043 CHEMBL101801 DB08572 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives NC(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C(N=O)C(N)=N2)C=C1 99445043 CHEMBL101801 DB08574 "(5R)-2-sulfanyl-5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-4(5H)-one" BE0004342 MLLT4 P55196 AFAD_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes FC(F)(F)C1=CC=C(C[C@H]2SC(=S)NC2=O)C=C1 99445045 DB08575 "2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM" BE0000266 MME P08473 NEP_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Imidazo-[4,5-c]pyridines" "Organic compounds; Organoheterocyclic compounds; Imidazopyridines; Imidazo-[4,5-c]pyridines" [H][C@](CS)(CC1=CC=CC=C1)C1=NC2=C(N1)C=C[NH+]=C2 99445046 DB08577 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE BE0002131 FGFR1 P11362 FGFR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines CC1=CNC(\C=C2/C(=O)NC3=CC=CC=C23)=C1CCC(O)=O 99445048 CHEMBL89363 DB08583 "2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide" BE0000014 ABL1 P00519 ABL1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines CCN1N=CC=C1C1=CNC2=NC=C(C=C12)C1=CC(C(=O)N(C)C)=C(N)C=C1 99445054 DB08590 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE BE0004344 IRAK4 Q9NWZ3 IRAK4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles CC(C)(C)C(=O)OC1=CC=C2N(CCCO)C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)=NC2=C1 99445061 CHEMBL1236126 DB08591 "5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE" BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives COC1=CC=C(C=C1N1CC(=O)NS1(=O)=O)C1=CC=CC=C1 99445062 CHEMBL193233 DB08593 "1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE" BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides O=C1CN(C2=CC=CC=C2)S(=O)(=O)N1 99445064 CHEMBL190801 DB08595 "4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL" BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-hydroxy-2-unsubstituted benzenoids Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids [H][C@]12CC=C(C)[C@]([H])(C1)[C@@]([H])(OC2(C)C)C1=CC=C(O)C=C1 99445066 DB08595 "4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL" BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-hydroxy-2-unsubstituted benzenoids Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids [H][C@]12CC=C(C)[C@]([H])(C1)[C@@]([H])(OC2(C)C)C1=CC=C(O)C=C1 99445066 DB08597 Dorsomorphin BE0000264 ACVR1 Q04771 ACVR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Pyrazolo[1,5-a]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrazolopyrimidines; Pyrazolo[1,5-a]pyrimidines" "Enzyme Inhibitors; Protein Kinase Inhibitors; AMP-Activated Protein Kinases, antagonists & inhibitors" C(CN1CCCCC1)OC1=CC=C(C=C1)C1=CN2N=CC(=C2N=C1)C1=CC=NC=C1 99445068 CHEMBL478629 DB08597 Dorsomorphin BE0000695 FKBP1A P62942 FKB1A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Pyrazolo[1,5-a]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrazolopyrimidines; Pyrazolo[1,5-a]pyrimidines" "Enzyme Inhibitors; Protein Kinase Inhibitors; AMP-Activated Protein Kinases, antagonists & inhibitors" C(CN1CCCCC1)OC1=CC=C(C=C1)C1=CN2N=CC(=C2N=C1)C1=CC=NC=C1 99445068 CHEMBL478629 DB08601 Tributyltin BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Trialkyltins Organic compounds; Organometallic compounds; Organo-post-transition metal compounds; Organotin compounds Organometallic Compounds; Organotin Compounds [H][Sn](CCCC)(CCCC)CCCC 99445072 Tributyltin DB08601 Tributyltin BE0000412 RXRA P19793 RXRA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Trialkyltins Organic compounds; Organometallic compounds; Organo-post-transition metal compounds; Organotin compounds Organometallic Compounds; Organotin Compounds [H][Sn](CCCC)(CCCC)CCCC 99445072 Tributyltin DB08602 "3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one" BE0000706 PDE7A Q13946 PDE7A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines CSC1=NC2=CC=CC=C2C(=O)N1C1=C(F)C=CC=C1F 99445073 CHEMBL1236215 DB08604 Triclosan BE0000132 AR P10275 ANDR_HUMAN 20943248 "Christen V, Crettaz P, Oberli-Schrammli A, Fent K: Some flame retardants and the antimicrobials triclosan and triclocarban enhance the androgenic activity in vitro. Chemosphere. 2010 Nov;81(10):1245-52. doi: 10.1016/j.chemosphere.2010.09.031. Epub 2010 Oct 12." Approved; Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers "Anti-Infective Agents; Medicated Dressings; Phenol and Derivatives; Anti-Infective Agents, Local; Phenols; Ethers; Dermatologicals; Miscellaneous Local Anti-infectives; Benzene Derivatives; Fatty Acid Synthesis Inhibitors; Hypolipidemic Agents; Phenyl Ethers; Medicated Dressings With Antiinfectives; Antiseptics and Disinfectants" OC1=CC(Cl)=CC=C1OC1=C(Cl)C=C(Cl)C=C1 2813 99445075 D06226 Triclosan CHEMBL849 10795 DB08604 Triclosan BE0000215 PPARG P37231 PPARG_HUMAN 25314719 "Fang M, Webster TF, Ferguson PL, Stapleton HM: Characterizing the peroxisome proliferator-activated receptor (PPARgamma) ligand binding potential of several major flame retardants, their metabolites, and chemical mixtures in house dust. Environ Health Perspect. 2015 Feb;123(2):166-72. doi: 10.1289/ehp.1408522. Epub 2014 Oct 14." Approved; Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers "Anti-Infective Agents; Medicated Dressings; Phenol and Derivatives; Anti-Infective Agents, Local; Phenols; Ethers; Dermatologicals; Miscellaneous Local Anti-infectives; Benzene Derivatives; Fatty Acid Synthesis Inhibitors; Hypolipidemic Agents; Phenyl Ethers; Medicated Dressings With Antiinfectives; Antiseptics and Disinfectants" OC1=CC(Cl)=CC=C1OC1=C(Cl)C=C(Cl)C=C1 2813 99445075 D06226 Triclosan CHEMBL849 10795 DB08608 "4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE" BE0004348 PDK2 Q15119 PDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives [H][C@@]1(C)CN(C(=O)[C@@](C)(O)C(F)(F)F)[C@@]([H])(C)CN1C(=O)C1=CC=C(C=C1)C#N 99445079 CHEMBL316388 DB08609 "(2R)-N-{4-[Ethyl(phenyl)sulfamoyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide" BE0004348 PDK2 Q15119 PDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides [H]N(C(=O)C(C)(O)C(F)(F)F)C1=C(C)C=C(C=C1)S(=O)(=O)N(CC)C1=CC=CC=C1 99445080 DB08610 N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE BE0004348 PDK2 Q15119 PDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids CC(C)C1=CC=C(COC2=C(Cl)C=C(CC(=O)NCCN)C=C2)C=C1 99445081 DB08611 "2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL" BE0001646 CTSS P25774 CATS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives OCCOC1=C(C=CC=C1)C1=C(F)C(F)=C(F)C=C1 99445082 DB08613 "2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL" BE0003523 HDAC4 P56524 HDAC4_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles OC(O)(C1=CC=C(S1)C(=O)N1CCN2C(C1)=NC=C2C1=CC=CC=C1)C(F)(F)F 99445084 DB08617 "4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE" BE0000230 YARS P54577 SYYC_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@](N)(CC1=CC=C(CC(F)(F)F)C=C1)C(O)=O 99445088 DB08624 "1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine" BE0003721 AHR P35869 AHR_HUMAN 16705413 "Noguerol TN, Boronat S, Casado M, Raldua D, Barcelo D, Pina B: Evaluating the interactions of vertebrate receptors with persistent pollutants and antifouling pesticides using recombinant yeast assays. Anal Bioanal Chem. 2006 Jul;385(6):1012-9. Epub 2006 May 17." Experimental Benzothiazoles Organic compounds; Organoheterocyclic compounds; Benzothiazoles N[C@@H](CCCNC(N)=N)C(=O)C1=NC2=CC=CC=C2S1 99445095 CHEMBL2089125 DB08626 Thiorphan BE0000266 MME P08473 NEP_HUMAN inhibitor 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Protease Inhibitors; Amino Acids; Enzyme Inhibitors; Amino Acids, Sulfur; Sulfur Compounds; N-substituted Glycines; Amino Acids, Peptides, and Proteins" [H][C@](CS)(CC1=CC=CC=C1)C(=O)NCC(O)=O 99445097 Thiorphan CHEMBL298827 DB08629 "N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE" BE0003840 ATP5A1 P25705 ATPA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diazinanes Organic compounds; Organoheterocyclic compounds; Diazinanes [H][C@](N)(CC(C)C)CN1CCC[N@@]2CCC[C@@]12[H] 99445100 DB08629 "N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE" BE0003841 ATP5B P06576 ATPB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Diazinanes Organic compounds; Organoheterocyclic compounds; Diazinanes [H][C@](N)(CC(C)C)CN1CCC[N@@]2CCC[C@@]12[H] 99445100 DB08633 TNP-470 BE0001534 METAP2 P50579 MAP2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Carbamate esters "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Growth Inhibitors; Cycloparaffins; Sesquiterpenes; Angiogenesis Modulating Agents; Growth Substances; Angiogenesis Inhibitors; Antibiotics, Antineoplastic; Cyclohexanes; Antineoplastic Agents; Terpenes" [H][C@]1(CC=C(C)C)O[C@]1(C)[C@@]1([H])[C@]([H])(OC)[C@@]([H])(CC[C@]11CO1)OC(=O)NC(=O)CCl 99445104 CHEMBL424278 DB08642 "(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine" BE0000330 DHFR P00374 DYR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Quinazolines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines COC1=CC(=CC(OC)=C1OC)N(C)C[C@H]1CCC2=C(C1)C(N)=N[C@H](N)N2 99445113 DB08645 "6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE" BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,2,4-benzothiadiazine-1,1-dioxides" Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines [H][C@]1(NC2=CC(Cl)=C(C=C2S(=O)(=O)N1)S(N)(=O)=O)C(Cl)Cl 99445116 CHEMBL1231193 DB08651 3'-THIO-THYMIDINE-5'-PHOSPHATE BE0002425 TOP2B Q02880 TOP2B_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2',3'-dideoxy-3'-thionucleoside monophosphates" "Organic compounds; Nucleosides, nucleotides, and analogues; 2',3'-dideoxy-3'-thionucleoside monophosphates" [H][C@]1(S)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(C)C(=O)NC1=O 99445122 DB08655 "9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE" BE0004367 CREBBP Q92793 CBP_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Carbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles CC(=O)N1C2=CC=CC=C2C2=C1C(=O)CCC2 99445126 CHEMBL1236441 DB08658 Ethyl hydrogen diethylamidophosphate BE0002180 BCHE P06276 CHLE_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phosphoric monoester monoamides Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Organic phosphoramides CCO[P@](O)(=O)N(CC)CC 99445129 DB08659 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolecarboxamides and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives NNC(=O)C1=C(C2=C(N1)C=CC(=C2)S(N)(=O)=O)C1=CC=CC=C1 99445130 CHEMBL262628 DB08660 Quinalizarin BE0001209 CSNK2A1 P68400 CSK21_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hydroxyanthraquinones Organic compounds; Benzenoids; Anthracenes; Anthraquinones Quinones; Anthracenes OC1=CC=C(O)C2=C1C(=O)C1=C(C(O)=C(O)C=C1)C2=O 99445131 Quinalizarin CHEMBL29898 DB08673 "4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE" BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides CC(C)C1=CN=C(NC2=CC=C(C=C2)S(N)(=O)=O)S1 99445144 DB08674 "(20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE" BE0002373 FNTA P49354 FNTA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Macrolactams Organic compounds; Phenylpropanoids and polyketides; Macrolactams [H][C@@]12CCN(C1=O)C1=C3C=C(OC4=C(C=CC(CN5C=NC=C5CN2)=C4)C#N)C=CC3=CC=C1 99445145 CHEMBL496879 DB08674 "(20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE" BE0002372 FNTB P49356 FNTB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Macrolactams Organic compounds; Phenylpropanoids and polyketides; Macrolactams [H][C@@]12CCN(C1=O)C1=C3C=C(OC4=C(C=CC(CN5C=NC=C5CN2)=C4)C#N)C=CC3=CC=C1 99445145 CHEMBL496879 DB08675 "(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-1-Octen-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}-5-heptenoic acid" BE0000117 PTGIS Q16647 PTGIS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates [H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])[C@]2([H])C[C@@]([H])(N=N2)[C@]1([H])C(\[H])=C(/[H])CCCCCC 99445146 DB08676 "(20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-9-CARBONITRILE" BE0002373 FNTA P49354 FNTA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H][C@]12CCN(C1=O)C1=CC=CC3=C1C=C(OC1([H])CC(CN4C=NC=C4CCN2)=CC[C@]1([H])C#N)C=C3 99445147 DB08676 "(20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-9-CARBONITRILE" BE0002372 FNTB P49356 FNTB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental [H][C@]12CCN(C1=O)C1=CC=CC3=C1C=C(OC1([H])CC(CN4C=NC=C4CCN2)=CC[C@]1([H])C#N)C=C3 99445147 DB08677 N-(5-Isopropyl-thiazol-2-YL)-2-pyridin-3-YL-acetamide BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyridines and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives [H]N(C(=O)CC1=CN=CC=C1)C1=NC=C(S1)C(C)C 99445148 DB08678 (4-ETHYLPHENYL)SULFAMIC ACID BE0003769 PTPRB P23467 PTPRB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides CCC1=CC=C(NS(O)(=O)=O)C=C1 99445149 DB08683 "REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolocarbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles [H][C@]12CC[C@]([H])(O1)N1C3=C(C=CC=C3)C3=C4C(=O)NC(=O)C4=C4C5=C(C=CC=C5)N2C4=C13 99445154 CHEMBL289422 DB08687 FG-2216 BE0002217 EGLN1 Q9GZT9 EGLN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" OC(=O)CNC(=O)C1=C(O)C2=CC=CC=C2C(Cl)=N1 99445158 CHEMBL426560 DB08687 FG-2216 BE0002374 HIF1A Q16665 HIF1A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" OC(=O)CNC(=O)C1=C(O)C2=CC=CC=C2C(Cl)=N1 99445158 CHEMBL426560 DB08689 Ubiquinone Q1 BE0000176 SDHA P31040 SDHA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Ubiquinones Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids Benzoquinones; Quinones; Coenzymes; Enzymes and Coenzymes COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O 99445160 CHEMBL1236594 DB08689 Ubiquinone Q1 BE0002254 SDHB P21912 SDHB_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Ubiquinones Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids Benzoquinones; Quinones; Coenzymes; Enzymes and Coenzymes COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O 99445160 CHEMBL1236594 DB08689 Ubiquinone Q1 BE0002257 SDHC Q99643 C560_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Ubiquinones Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids Benzoquinones; Quinones; Coenzymes; Enzymes and Coenzymes COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O 99445160 CHEMBL1236594 DB08690 Ubiquinone Q2 BE0001005 UQCRC1 P31930 QCR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Ubiquinones Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids "Benzoquinones; Quinones; Physiological Phenomena; Vitamins; Antidotes; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Protective Agents; Food; Micronutrients; Electron Transport Chain Complex Proteins; Compounds used in a research, industrial, or household setting" COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O 99445161 CHEMBL1236595 1423925 DB08690 Ubiquinone Q2 BE0003855 UQCRC2 P22695 QCR2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Ubiquinones Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids "Benzoquinones; Quinones; Physiological Phenomena; Vitamins; Antidotes; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Protective Agents; Food; Micronutrients; Electron Transport Chain Complex Proteins; Compounds used in a research, industrial, or household setting" COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O 99445161 CHEMBL1236595 1423925 DB08690 Ubiquinone Q2 BE0003856 UQCRH P07919 QCR6_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Ubiquinones Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids "Benzoquinones; Quinones; Physiological Phenomena; Vitamins; Antidotes; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Protective Agents; Food; Micronutrients; Electron Transport Chain Complex Proteins; Compounds used in a research, industrial, or household setting" COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O 99445161 CHEMBL1236595 1423925 DB08690 Ubiquinone Q2 BE0003858 UQCRFS1 P47985 UCRI_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Ubiquinones Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids "Benzoquinones; Quinones; Physiological Phenomena; Vitamins; Antidotes; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Protective Agents; Food; Micronutrients; Electron Transport Chain Complex Proteins; Compounds used in a research, industrial, or household setting" COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O 99445161 CHEMBL1236595 1423925 DB08690 Ubiquinone Q2 BE0003859 UQCR11 O14957 QCR10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Ubiquinones Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids "Benzoquinones; Quinones; Physiological Phenomena; Vitamins; Antidotes; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Protective Agents; Food; Micronutrients; Electron Transport Chain Complex Proteins; Compounds used in a research, industrial, or household setting" COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O 99445161 CHEMBL1236595 1423925 DB08691 "ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate" BE0001824 CLK1 P49759 CLK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Indolecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives CCOC(=O)C1=C(\C(=C/N)C#N)C2=C(N1C)C(Cl)=C(Cl)C=C2 99445162 CHEMBL1236620 DB08694 Variolin B BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolopyridines Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines Alkaloids NC1=NC=CC(=N1)C1=C2C=CN=C(N)N2C2=NC=CC(O)=C12 99445165 CHEMBL380500 DB08694 Variolin B BE0003734 CCNA2 P20248 CCNA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrrolopyridines Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines Alkaloids NC1=NC=CC(=N1)C1=C2C=CN=C(N)N2C2=NC=CC(O)=C12 99445165 CHEMBL380500 DB08699 "1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine" BE0004384 CAMK2G Q13555 KCC2G_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "Pyrazolo[3,4-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrazolopyrimidines; Pyrazolo[3,4-d]pyrimidines" CC1=CC(CC2=NN(C3=C2C(N)=NC=N3)C(C)(C)C)=CC=C1 99445170 CHEMBL1236661 DB08729 "5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide" BE0000182 PDE5A O76074 PDE5A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrazolopyrimidines Organic compounds; Organoheterocyclic compounds; Pyrazolopyrimidines CCCC1=NN(C)C2=C1N=C(NC2=O)C1=C(OCC)SC(=C1)S(N)(=O)=O 99445200 DB08730 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE BE0001019 MAPK14 Q16539 MK14_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylmorpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines FC1=CC(=CC(=C1)C(=O)NC1=CC=C2C=CN(CCC3=CC=NC=C3)C2=C1)N1CCOCC1 99445201 CHEMBL193264 DB08733 "(2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE" BE0003872 ADAM28 Q9UKQ2 ADA28_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acyl-alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CNC(=O)C1=NC=CS1)(C(=O)NO)[C@@]([H])(CC(C)C)C(=O)N[C@]([H])(C(=O)NC)C(C)(C)C 99445204 DB08737 "(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL" BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 5-hydroxyflavonoids Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids [H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=CC=CC(O)=C21)C1=CC=C(O)C=C1 99445208 DB08738 1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one BE0002148 PREP P48147 PPCE_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@]1(CCCN1C(=O)CCN1C(=O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C(=O)N1CCCC1 99445209 CHEMBL459149 DB08739 "2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione" BE0002148 PREP P48147 PPCE_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Hybrid peptides Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides [H][C@]1(CC(F)(F)CN1C(=O)CCN1C(=O)C2=C(C=CC=C2)C1=O)C(=O)N1CCCC1 99445210 CHEMBL458975 DB08742 "1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z)" BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Steroids and steroid derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives C=C1\C(=C/C=C2\CCC[C@]3(C)[C@]([H])(CC[C@@]23[H])C#CC#CC(C)(O)C)C[C@](O)([H])C[C@@]1(O)[H] 99445213 DB08742 "1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z)" BE0000779 VDR P11473 VDR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Steroids and steroid derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives C=C1\C(=C/C=C2\CCC[C@]3(C)[C@]([H])(CC[C@@]23[H])C#CC#CC(C)(O)C)C[C@](O)([H])C[C@@]1(O)[H] 99445213 DB08745 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" ClC1=CC=C(\C=C\S(=O)(=O)N2CCN(CC3CCN(CC3)C3=CC=NC=C3)C(=O)C2)C=C1 99445216 DB08746 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE BE0000216 F10 P00742 FA10_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Styrenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Styrenes ClC1=CC=C(\C=C\S(=O)(=O)N2CCN(CC3CCN(CC3)C3=CC=NC=C3)CC2)C=C1 99445217 DB08750 "1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE" BE0000005 NOS2 P35228 NOS2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-benzoylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; N-acylpiperidines NCC1=CC=C(C=C1)C(=O)N1CCC2(CC1)NC1=CC=CC(F)=C1C(N)=N2 99445221 CHEMBL1221657 DB08751 "N,N'-DIMETHYL-N-(ACETYL)-N'-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE" BE0001076 HRAS P01112 RASH_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzoxadiazoles Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles CN(CCN(C)C1=CC=C(C2=NON=C12)[N+]([O-])=O)C(C)=O 99445222 DB08752 N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide BE0001646 CTSS P25774 CATS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-carbamoyl-alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CC1CCCCC1)(NC(=O)N1CCOCC1)C(=O)NC1(CCN(C)CC1)C#N 99445223 CHEMBL1236882 DB08755 N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide BE0001646 CTSS P25774 CATS_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-carbamoyl-alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CC1CCCCC1)(NC(=O)N1CCOCC1)C(=O)N[C@@](C)(COCC1=CC=CC=C1)C#N 99445226 DB08756 Y-27632 BE0003761 PRKACA P17612 KAPCA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-arylamides Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; N-arylamides "Muscle Relaxants, Centrally Acting Agents; Cardiovascular Agents; Neuromuscular Agents; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Muscle Relaxants; Antihypertensive Agents; Peripheral Nervous System Agents" [H][C@@]1(CC[C@@H](CC1)C(=O)NC1=CC=NC=C1)[C@@H](C)N 99445227 Y-27632 CHEMBL559147 DB08756 Y-27632 BE0003762 PKIA P61925 IPKA_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-arylamides Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; N-arylamides "Muscle Relaxants, Centrally Acting Agents; Cardiovascular Agents; Neuromuscular Agents; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Muscle Relaxants; Antihypertensive Agents; Peripheral Nervous System Agents" [H][C@@]1(CC[C@@H](CC1)C(=O)NC1=CC=NC=C1)[C@@H](C)N 99445227 Y-27632 CHEMBL559147 DB08756 Y-27632 BE0001016 ROCK1 Q13464 ROCK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-arylamides Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; N-arylamides "Muscle Relaxants, Centrally Acting Agents; Cardiovascular Agents; Neuromuscular Agents; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Muscle Relaxants; Antihypertensive Agents; Peripheral Nervous System Agents" [H][C@@]1(CC[C@@H](CC1)C(=O)NC1=CC=NC=C1)[C@@H](C)N 99445227 Y-27632 CHEMBL559147 DB08756 Y-27632 BE0004191 ROCK2 O75116 ROCK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-arylamides Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; N-arylamides "Muscle Relaxants, Centrally Acting Agents; Cardiovascular Agents; Neuromuscular Agents; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Muscle Relaxants; Antihypertensive Agents; Peripheral Nervous System Agents" [H][C@@]1(CC[C@@H](CC1)C(=O)NC1=CC=NC=C1)[C@@H](C)N 99445227 Y-27632 CHEMBL559147 DB08760 (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid BE0000215 PPARG P37231 PPARG_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives [H][C@@](CC1=CC=CC=C1)(OC1=CC=C(Cl)C=C1)C(O)=O 99445231 CHEMBL364748 DB08765 "6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE" BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzothiazoles Organic compounds; Organoheterocyclic compounds; Benzothiazoles NS(=O)(=O)C1=NC2=C(S1)C=C(O)C=C2 99445236 CHEMBL6685 DB08768 N(6)-dimethylallyladenine BE0001072 CDK2 P24941 CDK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-alkylaminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Purine Nucleosides; Vitamins; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Vitamin B Complex; Nucleosides; Cytokinins; Nucleic Acids, Nucleotides, and Nucleosides" CC(C)=CCNC1=NC=NC2=C1N=CN2 99445239 CHEMBL476189 DB08770 "4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol" BE0000924 ADORA2A P29274 AA2AR_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "1,3,5-triazine-2,4-diamines" Organic compounds; Organoheterocyclic compounds; Triazines; Aminotriazines NC1=NC(NCCC2=CC=C(O)C=C2)=NC2=NC(=NN12)C1=CC=CO1 99445241 CHEMBL113142 DB08771 "(5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one" BE0000329 HSD11B1 P28845 DHI1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aniline and substituted anilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines CC(C)[C@H]1SC(NC2=C(F)C=CC=C2)=NC1=O 99445242 CHEMBL392452 DB08773 2-(4-hydroxyphenyl)benzo[b]thiophen-6-ol BE0000123 ESR1 P03372 ESR1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-benzothiophenes Organic compounds; Organoheterocyclic compounds; Benzothiophenes; 1-benzothiophenes OC1=CC=C(C=C1)C1=CC2=C(S1)C=C(O)C=C2 99445244 CHEMBL431698 DB08773 2-(4-hydroxyphenyl)benzo[b]thiophen-6-ol BE0003740 NCOA2 Q15596 NCOA2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 1-benzothiophenes Organic compounds; Organoheterocyclic compounds; Benzothiophenes; 1-benzothiophenes OC1=CC=C(C=C1)C1=CC2=C(S1)C=C(O)C=C2 99445244 CHEMBL431698 DB08774 "1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines [H][C@]1(CN)CN(CCO1)C1=C(C=NC2=C1C=NN2)C1=CC=CC=C1 99445245 CHEMBL562314 DB08776 "N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental N-acetylarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; N-arylamides CC(=O)NC1=NC2=C(S1)C(=O)NCCC2 99445247 CHEMBL562743 DB08777 "5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Thienopyrimidines Organic compounds; Organoheterocyclic compounds; Thienopyrimidines O=C1NC=NC2=C1C1=C(CCCC1)S2 99445248 CHEMBL539906 DB08778 "[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds CC(C)(C)NC1=NC(N)=C(S1)C(=O)C1=CC=CC=C1 99445249 CHEMBL570537 DB08779 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental "2,4,5-trisubstituted imidazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles CSC1=NC(O)=C(CC2=CC=CS2)N1 99445250 DB08780 6-MORPHOLIN-4-YL-9H-PURINE BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental 6-alkylaminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives C1CN(CCO1)C1=C2N=CNC2=NC=N1 99445251 CHEMBL271138 DB08781 "1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE" BE0003382 CHEK1 O14757 CHK1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyrazolopyridines Organic compounds; Organoheterocyclic compounds; Pyrazolopyridines [H][C@]1(CN)CN(CCO1)C1=C(Br)C=NC2=C1C=NN2 99445252 DB08782 4-(2-AMINOETHYL)BENZENESULFONAMIDE BE0000322 CA2 P00918 CAH2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides Sulfones; Sulfur Compounds; Amides; Benzene Derivatives; Sulfonamides NCCC1=CC=C(C=C1)S(N)(=O)=O 99445253 CHEMBL7087 DB08783 (4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid BE0000623 PTPN1 P18031 PTN1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Selenium Compounds [H][C@@](CC1=CC=C(C[Se](O)=O)C=C1)(NC(=O)OC(C)(C)C)C(=O)OC 99445254 DB08784 2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID BE0004420 NMRAL1 Q9HBL8 NMRL1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Pyridinecarboxylic acids Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives OC(=O)C1=C(NC2=CC=C(Cl)C=C2)N=CC=C1 99445255 CHEMBL1237007 DB08786 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Aminopyrimidines and derivatives Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives COCCOC1=NC(N)=NC(C)=C1 99445257 CHEMBL538937 DB08787 "4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives NC1=NC(=C(C=N1)\N=N\C1=CC=CC=C1)C1=C(Cl)C=C(Cl)C=C1 99445258 CHEMBL549340 DB08788 "3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines CCOC1=CC=C(C=C1)C1=C(C#N)C(N)=NC2=C1C(N)=C(S2)C(N)=O 99445259 CHEMBL554496 DB08789 "2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE" BE0001120 HSP90AA1 P07900 HS90A_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives CCNC(=O)C1=CC2=C(N=C(N)N=C2S1)C1=C(Cl)C=C(Cl)C=C1 99445260 CHEMBL563168 DB08791 "1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE" BE0000915 MET P08581 MET_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides NC(=O)C1=CN=C2C=CN(C2=C1)S(=O)(=O)C1=CC=CC=C1[N+]([O-])=O 99445262 CHEMBL561660 DB08799 Antazoline BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 16129921 "Swiader MJ, Luszczki JJ, Wielosz M, Czuczwar SJ: Effect of histamine receptor antagonists on aminophylline-induced seizures and lethality in mice. Pharmacol Rep. 2005 Jul-Aug;57(4):531-5." Approved Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines "Anti-Allergic Agents; Antiallergic Agents, Excl. Corticosteroids; QTc Prolonging Agents; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Imidazoles; Moderate Risk QTc-Prolonging Agents; Antihistamines for Systemic Use; Histamine Agents; Nasal Preparations" C(N(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NCCN1 Antazoline H1-Antihistamine Action drug_action 4165 99445269 D07458 PA165958418 Antazoline CHEMBL1305 865 DB08800 Chloropyramine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 19610651 "Kurenova EV, Hunt DL, He D, Magis AT, Ostrov DA, Cance WG: Small molecule chloropyramine hydrochloride (C4) targets the binding site of focal adhesion kinase and vascular endothelial growth factor receptor 3 and suppresses breast cancer growth in vivo. J Med Chem. 2009 Aug 13;52(15):4716-24. doi: 10.1021/jm900159g." Experimental 2-benzylaminopyridines Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylamines "Amines; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Systemic Use; Dermatologicals; Antihistamines for Topical Use; Histamine Agents; Polyamines; Substituted Ethylene Diamines; Diamines" CN(C)CCN(CC1=CC=C(Cl)C=C1)C1=CC=CC=N1 Chloropyramine H1-Antihistamine Action drug_action 99445270 D07195 PA165958419 Chloropyramine CHEMBL1194287 20861 DB08801 Dimetindene BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 20800486; 8608784; 11190775; 1973583; 2862878; 12477078; 1492845; 3691636; 14579656; 2881575; 7512805; 2096106; 1360248 "Moree WJ, Li BF, Zamani-Kord S, Yu J, Coon T, Huang C, Marinkovic D, Tucci FC, Malany S, Bradbury MJ, Hernandez LM, Wen J, Wang H, Hoare SR, Petroski RE, Jalali K, Yang C, Sacaan A, Madan A, Crowe PD, Beaton G: Identification of a novel selective H1-antihistamine with optimized pharmacokinetic properties for clinical evaluation in the treatment of insomnia. Bioorg Med Chem Lett. 2010 Oct 1;20(19):5874-8. doi: 10.1016/j.bmcl.2010.07.117. Epub 2010 Aug 3.@@Pfaff O, Hildebrandt C, Waelbroeck M, Hou X, Moser U, Mutschler E, Lambrecht G: The (S)-(+)-enantiomer of dimethindene: a novel M2-selective muscarinic receptor antagonist. Eur J Pharmacol. 1995 Nov 24;286(3):229-40.@@Horak F, Unkauf M, Beckers C, Mittermaier EM: Efficacy and tolerability of intranasally applied dimetindene maleate solution versus placebo in the treatment of seasonal allergic rhinitis. Arzneimittelforschung. 2000 Dec;50(12):1099-105. doi: 10.1055/s-0031-1300341.@@Rehn D, Geissler H, Schonbrunn U, Lukas H, Hennings G: Effect-time-relation of the H1-receptor antagonist dimethindene maleate following intravenous injection. Agents Actions. 1990 Apr;30(1-2):178-81. doi: 10.1007/BF01969031.@@Rehn D, Haack D, Vecsei P, Hennings G: The influence of dimetindene maleate on the endogenous hydrocortisone synthesis suppressing potency of betamethasone. Arzneimittelforschung. 1985;35(6):970-2.@@Duda D, Lorenz W, Celik I: Histamine release in mesenteric traction syndrome during abdominal aortic aneurysm surgery: prophylaxis with H1 and H2 antihistamines. Inflamm Res. 2002 Oct;51(10):495-9. doi: 10.1007/pl00012418.@@Schaffler K, Wauschkuhn CH, Brunnauer H, Rehn D: Evaluation of the local anaesthetic activity of dimetindene maleate by means of laser algesimetry in healthy volunteers. Arzneimittelforschung. 1992 Nov;42(11):1332-5.@@Rubinstein R, Nissenkorn I, Cohen S: Acetylcholine mediation of the contractile response to histamine in human bladder detrusor muscle. Eur J Pharmacol. 1987 Oct 6;142(1):45-50. doi: 10.1016/0014-2999(87)90652-2.@@Kirchhoff CH, Kremer B, Haaf-von Below S, Kyrein HJ, Mosges R: Effects of dimethindene maleate nasal spray on the quality of life in seasonal allergic rhinitis. Rhinology. 2003 Sep;41(3):159-66.@@Humphreys F, Shuster S: The effect of topical dimethindene maleate on weal reactions. Br J Clin Pharmacol. 1987 Feb;23(2):234-6. doi: 10.1111/j.1365-2125.1987.tb03035.x.@@Doenicke A, Moss J, Lorenz W, Hoernecke R, Gottardis M: Are hypotension and rash after atracurium really caused by histamine release? Anesth Analg. 1994 May;78(5):967-72. doi: 10.1213/00000539-199405000-00023.@@Rehn D, Geissler H, Schuster O, Lukas H, Hennings G: Effect-kinetic characterization of dimethindene maleate following oral administration (Fenistil, Tropfen). Fundam Clin Pharmacol. 1990;4(6):673-83. doi: 10.1111/j.1472-8206.1990.tb00047.x.@@Casy AF, Drake AF, Ganellin CR, Mercer AD, Upton C: Stereochemical studies of chiral H-1 antagonists of histamine: the resolution, chiral analysis, and biological evaluation of four antipodal pairs. Chirality. 1992;4(6):356-66. doi: 10.1002/chir.530040606." Approved; Investigational Indenes and isoindenes Organic compounds; Benzenoids; Indenes and isoindenes "Anticholinergic Agents; Anti-Allergic Agents; Muscarinic Antagonists; Histamine Antagonists; Substituted Alkylamines; Antipruritics; Neurotransmitter Agents; Histamine H1 Antagonists; Indenes; Antihistamines for Systemic Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents producing tachycardia; Antihistamines for Topical Use; Dermatologicals; Histamine Agents; Pyridines" CC(C1=C(CCN(C)C)CC2=CC=CC=C12)C1=CC=CC=N1 Dimetindene H1-Antihistamine Action drug_action 99445271 D07853 PA165958420 Dimetindene CHEMBL22108 3449 DB08801 Dimetindene BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 8608784 "Pfaff O, Hildebrandt C, Waelbroeck M, Hou X, Moser U, Mutschler E, Lambrecht G: The (S)-(+)-enantiomer of dimethindene: a novel M2-selective muscarinic receptor antagonist. Eur J Pharmacol. 1995 Nov 24;286(3):229-40." Approved; Investigational Indenes and isoindenes Organic compounds; Benzenoids; Indenes and isoindenes "Anticholinergic Agents; Anti-Allergic Agents; Muscarinic Antagonists; Histamine Antagonists; Substituted Alkylamines; Antipruritics; Neurotransmitter Agents; Histamine H1 Antagonists; Indenes; Antihistamines for Systemic Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents producing tachycardia; Antihistamines for Topical Use; Dermatologicals; Histamine Agents; Pyridines" CC(C1=C(CCN(C)C)CC2=CC=CC=C12)C1=CC=CC=N1 Dimetindene H1-Antihistamine Action drug_action 99445271 D07853 PA165958420 Dimetindene CHEMBL22108 3449 DB08802 Isothipendyl BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 8546983 "Moreau A, Dompmartin A, Dubreuil A, Leroy D: Phototoxic and photoprotective effects of topical isothipendyl. Photodermatol Photoimmunol Photomed. 1995 Apr;11(2):50-4." Experimental Alkyldiarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "Phenothiazine Derivatives; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Sulfur Compounds; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Systemic Use; Dermatologicals; Antihistamines for Topical Use; Histamine Agents" CC(CN1C2=CC=CC=C2SC2=C1N=CC=C2)N(C)C Isothipendyl H1-Antihistamine Action drug_action 99445272 D08091 PA165958421 Isothipendyl CHEMBL2111066 28012 DB08804 Nandrolone decanoate BE0000132 AR P10275 ANDR_HUMAN agonist 18809391 "Birgner C, Kindlundh-Hogberg AM, Alsio J, Lindblom J, Schioth HB, Bergstrom L: The anabolic androgenic steroid nandrolone decanoate affects mRNA expression of dopaminergic but not serotonergic receptors. Brain Res. 2008 Nov 13;1240:221-8. doi: 10.1016/j.brainres.2008.09.003. Epub 2008 Sep 13." Approved; Illicit Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Androgens; UGT2B7 substrates; Nandrolone and esters; Thyroxine-binding globulin inhibitors; Estrenes; Estranes; Steroids; Hormones; Fused-Ring Compounds; Gonadal Hormones; UGT1A3 substrates; Gonadal Steroid Hormones; UGT1A4 substrates; UGT1A1 Substrates; Bone Density Conservation Agents; Anabolic Agents; Testosterone Congeners; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCCCCCCCC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] 7464 99445274 D00955 PA165958423 DAP000903 Nandrolone_decanoate CHEMBL1200946 31494 DB08804 Nandrolone decanoate BE0001126 FOS P01100 FOS_HUMAN inducer 11876781 "Johansson-Steensland P, Nyberg F, Chahl L: The anabolic androgenic steroid, nandrolone decanoate, increases the density of Fos-like immunoreactive neurons in limbic regions of guinea-pig brain. Eur J Neurosci. 2002 Feb;15(3):539-44. doi: 10.1046/j.0953-816x.2001.01877.x." Approved; Illicit Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Androgens; UGT2B7 substrates; Nandrolone and esters; Thyroxine-binding globulin inhibitors; Estrenes; Estranes; Steroids; Hormones; Fused-Ring Compounds; Gonadal Hormones; UGT1A3 substrates; Gonadal Steroid Hormones; UGT1A4 substrates; UGT1A1 Substrates; Bone Density Conservation Agents; Anabolic Agents; Testosterone Congeners; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCCCCCCCC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] 7464 99445274 D00955 PA165958423 DAP000903 Nandrolone_decanoate CHEMBL1200946 31494 DB08804 Nandrolone decanoate BE0004881 HTR2A P28335 5HT2C_HUMAN modulator 12763073 "Kindlundh AM, Lindblom J, Bergstrom L, Nyberg F: The anabolic-androgenic steroid nandrolone induces alterations in the density of serotonergic 5HT1B and 5HT2 receptors in the male rat brain. Neuroscience. 2003;119(1):113-20. doi: 10.1016/s0306-4522(03)00120-9." Approved; Illicit Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Androgens; UGT2B7 substrates; Nandrolone and esters; Thyroxine-binding globulin inhibitors; Estrenes; Estranes; Steroids; Hormones; Fused-Ring Compounds; Gonadal Hormones; UGT1A3 substrates; Gonadal Steroid Hormones; UGT1A4 substrates; UGT1A1 Substrates; Bone Density Conservation Agents; Anabolic Agents; Testosterone Congeners; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCCCCCCCC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] 7464 99445274 D00955 PA165958423 DAP000903 Nandrolone_decanoate CHEMBL1200946 31494 DB08804 Nandrolone decanoate BE0000858 IGF1R P08069 IGF1R_HUMAN inducer 10642358 "Gayan-Ramirez G, Rollier H, Vanderhoydonc F, Verhoeven G, Gosselink R, Decramer M: Nandrolone decanoate does not enhance training effects but increases IGF-I mRNA in rat diaphragm. J Appl Physiol (1985). 2000 Jan;88(1):26-34. doi: 10.1152/jappl.2000.88.1.26." Approved; Illicit Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Androgens; UGT2B7 substrates; Nandrolone and esters; Thyroxine-binding globulin inhibitors; Estrenes; Estranes; Steroids; Hormones; Fused-Ring Compounds; Gonadal Hormones; UGT1A3 substrates; Gonadal Steroid Hormones; UGT1A4 substrates; UGT1A1 Substrates; Bone Density Conservation Agents; Anabolic Agents; Testosterone Congeners; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCCCCCCCC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] 7464 99445274 D00955 PA165958423 DAP000903 Nandrolone_decanoate CHEMBL1200946 31494 DB08805 Metiamide BE0000112 HRH2 P25021 HRH2_HUMAN antagonist 7725982 "Black JW, Duncan WA, Emmett JC, Ganellin CR, Hesselbo T, Parsons ME, Wyllie JH: Metiamide--an orally active histamine H2-receptor antagonist. 1973. Agents Actions. 1994 Dec;43(3-4):91-5; discussion 96." Experimental Imidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles Anti-Ulcer Agents; Histamine H2 Antagonists; Acid Reducers; Gastric Acid Lowering Agents; Histamine Antagonists; Neurotransmitter Agents; Sulfur Compounds; Histamine Agents; Amides; Thiourea; Gastrointestinal Agents CNC(=S)NCCSCC1=C(C)NC=N1 Metiamide Action Pathway drug_action 99445275 D05004 Metiamide CHEMBL275446 DB08806 Roxatidine acetate BE0000112 HRH2 P25021 HRH2_HUMAN antagonist 20718616 "Agrawal SS, Alvin Jose M: Roxatidine, an H(2) receptor blocker, is an estrogenic compound--experimental evidence. Syst Biol Reprod Med. 2010 Aug;56(4):286-91. doi: 10.3109/19396368.2010.496894." Experimental N-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Anti-Ulcer Agents; Histamine H2 Antagonists; Acid Reducers; Gastric Acid Lowering Agents; Histamine Antagonists; Neurotransmitter Agents; Drugs for Acid Related Disorders; Histamine Agents; Gastrointestinal Agents; Alimentary Tract and Metabolism CC(=O)OCC(=O)NCCCOC1=CC=CC(CN2CCCCC2)=C1 Roxatidine Acetate Action Pathway drug_action 99445276 D08495 PA165958424 Roxatidine_acetate CHEMBL46102 114817 DB08807 Bopindolol BE0001012 ADRB3 P13945 ADRB3_HUMAN 11752352 "Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Benzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Amino Alcohols; Propanolamines; Cytochrome P-450 CYP2D6 Substrates; Amines; Adrenergic beta-Antagonists; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Adrenergic Antagonists; Neurotransmitter Agents; Alcohols; Bradycardia-Causing Agents; Phenoxypropanolamines; Propanols; Adrenergic Agents; Beta Blocking Agents, Non-Selective" CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C1=CC=CC=C1 Bopindolol Action Pathway drug_action 99445277 D07537 PA165958425 Bopindolol CHEMBL357995 19605 DB08808 Bupranolol BE0001012 ADRB3 P13945 ADRB3_HUMAN antagonist 12606631; 14660028 "Lenard NR, Gettys TW, Dunn AJ: Activation of beta2- and beta3-adrenergic receptors increases brain tryptophan. J Pharmacol Exp Ther. 2003 May;305(2):653-9. Epub 2003 Jan 24.@@Matsushita M, Horinouchi T, Tanaka Y, Tsuru H, Koike K: Characterization of beta 3-adrenoceptor-mediated relaxation in rat abdominal aorta smooth muscle. Eur J Pharmacol. 2003 Dec 15;482(1-3):235-44." Experimental Phenol ethers Organic compounds; Benzenoids; Phenol ethers "QTc Prolonging Agents; Amines; Antihypertensive Agents; Phenoxypropanolamines; Amino Alcohols; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Alcohols; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Propanols; Beta Blocking Agents, Non-Selective; Antiarrhythmic agents; Propanolamines; Adrenergic beta-Antagonists; Neurotransmitter Agents; Bradycardia-Causing Agents; Adrenergic Agents" CC1=CC(OCC(O)CNC(C)(C)C)=C(Cl)C=C1 Bupranolol Action Pathway drug_action 99445278 D07590 PA165958426 Bupranolol CHEMBL305380 1817 DB08809 Dichloroacetic acid BE0003862 PDK1 Q15118 PDK1_HUMAN inhibitor 2554095 Stacpoole PW: The pharmacology of dichloroacetate. Metabolism. 1989 Nov;38(11):1124-44. Approved; Investigational Alpha-halocarboxylic acids Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Alpha-halocarboxylic acids and derivatives "Hydrocarbons, Halogenated; Chloroacetates; Acids, Acyclic; Acetates; Hydrocarbons, Chlorinated" OC(=O)C(Cl)Cl 1279 175427097 PA165947835 Dichloroacetic_acid CHEMBL13960 155021 DB08810 Cinitapride BE0000084 HTR4 Q13639 5HT4R_HUMAN agonist 9211565; 9562338 "Alarcon-de-la-Lastra Romero C, Lopez A, Martin MJ, la Casa C, Motilva V: Cinitapride protects against ethanol-induced gastric mucosal injury in rats: role of 5-hydroxytryptamine, prostaglandins and sulfhydryl compounds. Pharmacology. 1997 Apr;54(4):193-202.@@Alarcon de la Lastra C, La Casa C, Martin MJ, Motilva V: Effects of cinitapride on gastric ulceration and secretion in rats. Inflamm Res. 1998 Mar;47(3):131-6." Investigational Nitrophenyl ethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin Receptor Agonists; Amides; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Anti-Ulcer Agents; Central Nervous System Depressants; Benzoates; Alimentary Tract and Metabolism; Acids, Carbocyclic; Agents that produce hypertension; Propulsives; Serotonin Agents; Drugs for Functional Gastrointestinal Disorders" CCOC1=CC(N)=C(C=C1C(=O)NC1CCN(CC2CCC=CC2)CC1)[N+]([O-])=O 175427098 D07700 PA165958427 Cinitapride CHEMBL2104523 21125 DB08811 Tofisopam BE0001133 PDE4A P27815 PDE4A_HUMAN inhibitor 20967473 "Rundfeldt C, Socala K, Wlaz P: The atypical anxiolytic drug, tofisopam, selectively blocks phosphodiesterase isoenzymes and is active in the mouse model of negative symptoms of psychosis. J Neural Transm (Vienna). 2010 Nov;117(11):1319-25. doi: 10.1007/s00702-010-0507-3. Epub 2010 Oct 22." Experimental Benzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines "Stereoisomerism; Benzazepines; Psycholeptics; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Psychotropic Drugs; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Nervous System; Antidepressive Agents" CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1 175427099 D01254 PA165958428 Tofisopam CHEMBL404216 38365 DB08811 Tofisopam BE0000631 PDE10A Q9Y233 PDE10_HUMAN inhibitor 20967473 "Rundfeldt C, Socala K, Wlaz P: The atypical anxiolytic drug, tofisopam, selectively blocks phosphodiesterase isoenzymes and is active in the mouse model of negative symptoms of psychosis. J Neural Transm (Vienna). 2010 Nov;117(11):1319-25. doi: 10.1007/s00702-010-0507-3. Epub 2010 Oct 22." Experimental Benzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines "Stereoisomerism; Benzazepines; Psycholeptics; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Psychotropic Drugs; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Nervous System; Antidepressive Agents" CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1 175427099 D01254 PA165958428 Tofisopam CHEMBL404216 38365 DB08811 Tofisopam BE0000436 PDE3A Q14432 PDE3A_HUMAN inhibitor 20967473 "Rundfeldt C, Socala K, Wlaz P: The atypical anxiolytic drug, tofisopam, selectively blocks phosphodiesterase isoenzymes and is active in the mouse model of negative symptoms of psychosis. J Neural Transm (Vienna). 2010 Nov;117(11):1319-25. doi: 10.1007/s00702-010-0507-3. Epub 2010 Oct 22." Experimental Benzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines "Stereoisomerism; Benzazepines; Psycholeptics; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Psychotropic Drugs; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Nervous System; Antidepressive Agents" CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1 175427099 D01254 PA165958428 Tofisopam CHEMBL404216 38365 DB08811 Tofisopam BE0002085 PDE2A O00408 PDE2A_HUMAN inhibitor 20967473 "Rundfeldt C, Socala K, Wlaz P: The atypical anxiolytic drug, tofisopam, selectively blocks phosphodiesterase isoenzymes and is active in the mouse model of negative symptoms of psychosis. J Neural Transm (Vienna). 2010 Nov;117(11):1319-25. doi: 10.1007/s00702-010-0507-3. Epub 2010 Oct 22." Experimental Benzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines "Stereoisomerism; Benzazepines; Psycholeptics; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Psychotropic Drugs; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Nervous System; Antidepressive Agents" CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1 175427099 D01254 PA165958428 Tofisopam CHEMBL404216 38365 DB08813 Nadroparin BE0001159 SELP P16109 LYAM3_HUMAN inhibitor 17629851; 16525583 "Simonis D, Christ K, Alban S, Bendas G: Affinity and kinetics of different heparins binding to P- and L-selectin. Semin Thromb Hemost. 2007 Jul;33(5):534-9.@@Ludwig RJ, Alban S, Bistrian R, Boehncke WH, Kaufmann R, Henschler R, Gille J: The ability of different forms of heparins to suppress P-selectin function in vitro correlates to their inhibitory capacity on bloodborne metastasis in vivo. Thromb Haemost. 2006 Mar;95(3):535-40." Approved; Investigational Heparin (Low Molecular Weight); Cardiovascular Agents; Glycosaminoglycans; Agents causing hyperkalemia; Blood and Blood Forming Organs; Carbohydrates; Heparin and similars; Anticoagulants; Hematologic Agents; Polysaccharides; Fibrin Modulating Agents 11714 347910374 Nadroparin_calcium 67031 DB08813 Nadroparin BE0001126 FOS P01100 FOS_HUMAN inhibitor 19757196; 19261492 "Nagy Z, Turcsik V, Blasko G: The effect of LMWH (Nadroparin) on tumor progression. Pathol Oncol Res. 2009 Dec;15(4):689-92. doi: 10.1007/s12253-009-9204-7.@@Sustar V, Jansa R, Frank M, Hagerstrand H, Krzan M, Iglic A, Kralj-Iglic V: Suppression of membrane microvesiculation--a possible anticoagulant and anti-tumor progression effect of heparin. Blood Cells Mol Dis. 2009 May-Jun;42(3):223-7. doi: 10.1016/j.bcmd.2009.01.012. Epub 2009 Mar 3." Approved; Investigational Heparin (Low Molecular Weight); Cardiovascular Agents; Glycosaminoglycans; Agents causing hyperkalemia; Blood and Blood Forming Organs; Carbohydrates; Heparin and similars; Anticoagulants; Hematologic Agents; Polysaccharides; Fibrin Modulating Agents 11714 347910374 Nadroparin_calcium 67031 DB08814 Triflusal BE0001086 NFKB1 P19838 NFKB1_HUMAN antagonist 15678110; 19465361; 18317243; 17194886 "Zhang W, Potrovita I, Tarabin V, Herrmann O, Beer V, Weih F, Schneider A, Schwaninger M: Neuronal activation of NF-kappaB contributes to cell death in cerebral ischemia. J Cereb Blood Flow Metab. 2005 Jan;25(1):30-40.@@Anninos H, Andrikopoulos G, Pastromas S, Sakellariou D, Theodorakis G, Vardas P: Triflusal: an old drug in modern antiplatelet therapy. Review of its action, use, safety and effectiveness. Hellenic J Cardiol. 2009 May-Jun;50(3):199-207.@@Gomez-Isla T, Blesa R, Boada M, Clarimon J, Del Ser T, Domenech G, Ferro JM, Gomez-Anson B, Manubens JM, Martinez-Lage JM, Munoz D, Pena-Casanova J, Torres F: A randomized, double-blind, placebo controlled-trial of triflusal in mild cognitive impairment: the TRIMCI study. Alzheimer Dis Assoc Disord. 2008 Jan-Mar;22(1):21-9. doi: 10.1097/WAD.0b013e3181611024.@@Whitehead SN, Bayona NA, Cheng G, Allen GV, Hachinski VC, Cechetto DF: Effects of triflusal and aspirin in a rat model of cerebral ischemia. Stroke. 2007 Feb;38(2):381-7. Epub 2006 Dec 28." Approved; Investigational Acylsalicylic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Benzoates; Acids, Carbocyclic; Blood and Blood Forming Organs; Hydroxy Acids; Anticoagulants; Hematologic Agents; Phenols; Platelet Aggregation Inhibitors Excl. Heparin; Hydroxybenzoates; Benzene Derivatives; Antiplatelet agents" CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(O)=O 347827803 Triflusal CHEMBL1332032 38655 DB08814 Triflusal BE0000005 NOS2 P35228 NOS2_HUMAN agonist 19465361; 9551715; 10998082; 16939630 "Anninos H, Andrikopoulos G, Pastromas S, Sakellariou D, Theodorakis G, Vardas P: Triflusal: an old drug in modern antiplatelet therapy. Review of its action, use, safety and effectiveness. Hellenic J Cardiol. 2009 May-Jun;50(3):199-207.@@Sanchez de Miguel L, Casado S, Farre J, Garcia-Duran M, Rico LA, Monton M, Romero J, Bellver T, Sierra MP, Guerra JI, Mata P, Esteban A, Lopez-Farre A: Comparison of in vitro effects of triflusal and acetysalicylic acid on nitric oxide synthesis by human neutrophils. Eur J Pharmacol. 1998 Feb 5;343(1):57-65.@@De Miguel LS, Jimenez A, Monton M, Farre J, Del Mar Arriero M, Rodriguez-Feo JA, Garcia-Canete J, Rico L, Gomez J, Nunez A, Casado S, Farre AL: A 4-trifluoromethyl derivative of salicylate, triflusal, stimulates nitric oxide production by human neutrophils: role in platelet function. Eur J Clin Invest. 2000 Sep;30(9):811-7.@@Gonzalez-Correa JA, De La Cruz JP: Triflusal: an antiplatelet drug with a neuroprotective effect? Cardiovasc Drug Rev. 2006 Spring;24(1):11-24." Approved; Investigational Acylsalicylic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Benzoates; Acids, Carbocyclic; Blood and Blood Forming Organs; Hydroxy Acids; Anticoagulants; Hematologic Agents; Phenols; Platelet Aggregation Inhibitors Excl. Heparin; Hydroxybenzoates; Benzene Derivatives; Antiplatelet agents" CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(O)=O 347827803 Triflusal CHEMBL1332032 38655 DB08814 Triflusal BE0000631 PDE10A Q9Y233 PDE10_HUMAN antagonist 9617597; 10998082 "McNeely W, Goa KL: Triflusal. Drugs. 1998 Jun;55(6):823-33; discussion 834-5.@@De Miguel LS, Jimenez A, Monton M, Farre J, Del Mar Arriero M, Rodriguez-Feo JA, Garcia-Canete J, Rico L, Gomez J, Nunez A, Casado S, Farre AL: A 4-trifluoromethyl derivative of salicylate, triflusal, stimulates nitric oxide production by human neutrophils: role in platelet function. Eur J Clin Invest. 2000 Sep;30(9):811-7." Approved; Investigational Acylsalicylic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Benzoates; Acids, Carbocyclic; Blood and Blood Forming Organs; Hydroxy Acids; Anticoagulants; Hematologic Agents; Phenols; Platelet Aggregation Inhibitors Excl. Heparin; Hydroxybenzoates; Benzene Derivatives; Antiplatelet agents" CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(O)=O 347827803 Triflusal CHEMBL1332032 38655 DB08815 Lurasidone BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 23545936 "George M, Amrutheshwar R, Rajkumar RP, Kattimani S, Dkhar SA: Newer antipsychotics and upcoming molecules for schizophrenia. Eur J Clin Pharmacol. 2013 Aug;69(8):1497-509. doi: 10.1007/s00228-013-1498-4. Epub 2013 Apr 2." Approved; Investigational N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Adrenergic alpha-2 Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Thiazoles; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Isoindoles; Neurotransmitter Agents; Indole Derivatives; Nervous System; Sulfur Compounds; Adrenergic Agents; Dopamine Agents" [H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]1CCCC[C@H]1CN1CCN(CC1)C1=NSC3=CC=CC=C13)C2=O 21372 175427100 D04820 PA166129557 Lurasidone CHEMBL1237021 1040028 DB08816 Ticagrelor BE0000110 P2RY12 Q9H244 P2Y12_HUMAN inhibitor 26063049; 30883047 "Teng R: Ticagrelor: Pharmacokinetic, Pharmacodynamic and Pharmacogenetic Profile: An Update. Clin Pharmacokinet. 2015 Nov;54(11):1125-38. doi: 10.1007/s40262-015-0290-2.@@Bhatt DL, Pollack CV, Weitz JI, Jennings LK, Xu S, Arnold SE, Umstead BR, Mays MC, Lee JS: Antibody-Based Ticagrelor Reversal Agent in Healthy Volunteers. N Engl J Med. 2019 May 9;380(19):1825-1833. doi: 10.1056/NEJMoa1901778. Epub 2019 Mar 17." Approved Triazolopyrimidines Organic compounds; Organoheterocyclic compounds; Triazolopyrimidines "Purinergic P2Y Receptor Antagonists; Ribonucleosides; Purines; Glycosides; Nucleosides; Carbohydrates; Anticoagulants; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Purinergic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; P2Y12 Platelet Inhibitor; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Phenylalanine Hydroxylase Activators; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Nucleic Acids, Nucleotides, and Nucleosides; Cytochrome P-450 CYP3A4 Substrates; Purinergic P2 Receptor Antagonists; Cytochrome P-450 CYP2B6 Inducers (weak); Decreased Platelet Aggregation; Cytochrome P-450 CYP2C9 Inducers (weak); Hematologic Agents; Cytochrome P-450 CYP2C9 Inducers; Purinergic Antagonists" CCCSC1=NC2=C(N=NN2[C@@H]2C[C@H](OCCO)[C@@H](O)[C@H]2O)C(N[C@@H]2C[C@H]2C2=CC(F)=C(F)C=C2)=N1 20742 175427101 D09017 PA165374673 Ticagrelor CHEMBL398435 1116632 DB08818 Hyaluronic acid BE0001113 CD44 P16070 CD44_HUMAN binder 15725890; 7542594; 10871609; 31294035 "Higa K, Shimmura S, Shimazaki J, Tsubota K: Hyaluronic acid-CD44 interaction mediates the adhesion of lymphocytes by amniotic membrane stroma. Cornea. 2005 Mar;24(2):206-12. doi: 10.1097/01.ico.0000133999.45262.83.@@Uff CR, Neame SJ, Isacke CM: Hyaluronan binding by CD44 is regulated by a phosphorylation-independent mechanism. Eur J Immunol. 1995 Jul;25(7):1883-7. doi: 10.1002/eji.1830250714.@@Lesley J, Hascall VC, Tammi M, Hyman R: Hyaluronan binding by cell surface CD44. J Biol Chem. 2000 Sep 1;275(35):26967-75. doi: 10.1074/jbc.M002527200.@@Gupta RC, Lall R, Srivastava A, Sinha A: Hyaluronic Acid: Molecular Mechanisms and Therapeutic Trajectory. Front Vet Sci. 2019 Jun 25;6:192. doi: 10.3389/fvets.2019.00192. eCollection 2019." Approved; Vet_approved Acylaminosugars Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs" CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O 1954 310264899 D08043 PA165958431 Sodium_hyaluronate 5463 DB08818 Hyaluronic acid BE0001085 ICAM1 P05362 ICAM1_HUMAN inhibitor 31294035; 27782122 "Gupta RC, Lall R, Srivastava A, Sinha A: Hyaluronic Acid: Molecular Mechanisms and Therapeutic Trajectory. Front Vet Sci. 2019 Jun 25;6:192. doi: 10.3389/fvets.2019.00192. eCollection 2019.@@Zhang X, He H, Lu G, Xu T, Qin L, Wang X, Jin X, Liu B, Zhao Z, Shen Z, Shao Y: Specific inhibition of ICAM-1 effectively reduces bladder inflammation in a rat model of severe non-bacterial cystitis. Sci Rep. 2016 Oct 26;6:35672. doi: 10.1038/srep35672." Approved; Vet_approved Acylaminosugars Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs" CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O 1954 310264899 D08043 PA165958431 Sodium_hyaluronate 5463 DB08818 Hyaluronic acid BE0004702 HMMR O75330 HMMR_HUMAN binder 21947782; 31294035; 21914806 "Hatano H, Shigeishi H, Kudo Y, Higashikawa K, Tobiume K, Takata T, Kamata N: Overexpression of receptor for hyaluronan-mediated motility (RHAMM) in MC3T3-E1 cells induces proliferation and differentiation through phosphorylation of ERK1/2. J Bone Miner Metab. 2012 May;30(3):293-303. doi: 10.1007/s00774-011-0318-0. Epub 2011 Sep 27.@@Gupta RC, Lall R, Srivastava A, Sinha A: Hyaluronic Acid: Molecular Mechanisms and Therapeutic Trajectory. Front Vet Sci. 2019 Jun 25;6:192. doi: 10.3389/fvets.2019.00192. eCollection 2019.@@Kouvidi K, Berdiaki A, Nikitovic D, Katonis P, Afratis N, Hascall VC, Karamanos NK, Tzanakakis GN: Role of receptor for hyaluronic acid-mediated motility (RHAMM) in low molecular weight hyaluronan (LMWHA)-mediated fibrosarcoma cell adhesion. J Biol Chem. 2011 Nov 4;286(44):38509-20. doi: 10.1074/jbc.M111.275875. Epub 2011 Sep 13." Approved; Vet_approved Acylaminosugars Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs" CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O 1954 310264899 D08043 PA165958431 Sodium_hyaluronate 5463 DB08818 Hyaluronic acid BE0004930 C1QBP Q07021 C1QBP_HUMAN binder 19004836; 29209316 "Yadav G, Prasad RL, Jha BK, Rai V, Bhakuni V, Datta K: Evidence for inhibitory interaction of hyaluronan-binding protein 1 (HABP1/p32/gC1qR) with Streptococcus pneumoniae hyaluronidase. J Biol Chem. 2009 Feb 6;284(6):3897-905. doi: 10.1074/jbc.M804246200. Epub 2008 Nov 11.@@Agostinis C, Vidergar R, Belmonte B, Mangogna A, Amadio L, Geri P, Borelli V, Zanconati F, Tedesco F, Confalonieri M, Tripodo C, Kishore U, Bulla R: Complement Protein C1q Binds to Hyaluronic Acid in the Malignant Pleural Mesothelioma Microenvironment and Promotes Tumor Growth. Front Immunol. 2017 Nov 20;8:1559. doi: 10.3389/fimmu.2017.01559. eCollection 2017." Approved; Vet_approved Acylaminosugars Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs" CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O 1954 310264899 D08043 PA165958431 Sodium_hyaluronate 5463 DB08818 Hyaluronic acid BE0004933 HAPLN1 P10915 HPLN1_HUMAN binder 12663660; 9288901 "Spicer AP, Joo A, Bowling RA Jr: A hyaluronan binding link protein gene family whose members are physically linked adjacent to chondroitin sulfate proteoglycan core protein genes: the missing links. J Biol Chem. 2003 Jun 6;278(23):21083-91. Epub 2003 Mar 27.@@Arming S, Strobl B, Wechselberger C, Kreil G: In vitro mutagenesis of PH-20 hyaluronidase from human sperm. Eur J Biochem. 1997 Aug 1;247(3):810-4." Approved; Vet_approved Acylaminosugars Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs" CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O 1954 310264899 D08043 PA165958431 Sodium_hyaluronate 5463 DB08818 Hyaluronic acid BE0004948 STAB2 Q8WWQ8 STAB2_HUMAN binder 11829752; 12626425; 17145755; 18434317 "Politz O, Gratchev A, McCourt PA, Schledzewski K, Guillot P, Johansson S, Svineng G, Franke P, Kannicht C, Kzhyshkowska J, Longati P, Velten FW, Johansson S, Goerdt S: Stabilin-1 and -2 constitute a novel family of fasciclin-like hyaluronan receptor homologues. Biochem J. 2002 Feb 15;362(Pt 1):155-64.@@Zhou B, McGary CT, Weigel JA, Saxena A, Weigel PH: Purification and molecular identification of the human hyaluronan receptor for endocytosis. Glycobiology. 2003 May;13(5):339-49. Epub 2002 Dec 17.@@Harris EN, Kyosseva SV, Weigel JA, Weigel PH: Expression, processing, and glycosaminoglycan binding activity of the recombinant human 315-kDa hyaluronic acid receptor for endocytosis (HARE). J Biol Chem. 2007 Feb 2;282(5):2785-97. Epub 2006 Dec 4.@@Harris EN, Weigel JA, Weigel PH: The human hyaluronan receptor for endocytosis (HARE/Stabilin-2) is a systemic clearance receptor for heparin. J Biol Chem. 2008 Jun 20;283(25):17341-50. doi: 10.1074/jbc.M710360200. Epub 2008 Apr 22." Approved; Vet_approved Acylaminosugars Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs" CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O 1954 310264899 D08043 PA165958431 Sodium_hyaluronate 5463 DB08818 Hyaluronic acid BE0004942 IMPG2 Q9BZV3 IMPG2_HUMAN binder 10702256 "Acharya S, Foletta VC, Lee JW, Rayborn ME, Rodriguez IR, Young WS 3rd, Hollyfield JG: SPACRCAN, a novel human interphotoreceptor matrix hyaluronan-binding proteoglycan synthesized by photoreceptors and pinealocytes. J Biol Chem. 2000 Mar 10;275(10):6945-55." Approved; Vet_approved Acylaminosugars Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs" CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O 1954 310264899 D08043 PA165958431 Sodium_hyaluronate 5463 DB08818 Hyaluronic acid BE0004943 HABP4 Q5JVS0 HABP4_HUMAN binder 10887182 "Huang L, Grammatikakis N, Yoneda M, Banerjee SD, Toole BP: Molecular characterization of a novel intracellular hyaluronan-binding protein. J Biol Chem. 2000 Sep 22;275(38):29829-39." Approved; Vet_approved Acylaminosugars Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs" CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O 1954 310264899 D08043 PA165958431 Sodium_hyaluronate 5463 DB08818 Hyaluronic acid BE0010044 LYVE1 Q9Y5Y7 LYVE1_HUMAN 31294035; 26823460 "Gupta RC, Lall R, Srivastava A, Sinha A: Hyaluronic Acid: Molecular Mechanisms and Therapeutic Trajectory. Front Vet Sci. 2019 Jun 25;6:192. doi: 10.3389/fvets.2019.00192. eCollection 2019.@@Lawrance W, Banerji S, Day AJ, Bhattacharjee S, Jackson DG: Binding of Hyaluronan to the Native Lymphatic Vessel Endothelial Receptor LYVE-1 Is Critically Dependent on Receptor Clustering and Hyaluronan Organization. J Biol Chem. 2016 Apr 8;291(15):8014-30. doi: 10.1074/jbc.M115.708305. Epub 2016 Jan 28." Approved; Vet_approved Acylaminosugars Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs" CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O 1954 310264899 D08043 PA165958431 Sodium_hyaluronate 5463 DB08820 Ivacaftor BE0001195 CFTR P13569 CFTR_HUMAN potentiator 22293084; 27636560 "Yu H, Burton B, Huang CJ, Worley J, Cao D, Johnson JP Jr, Urrutia A, Joubran J, Seepersaud S, Sussky K, Hoffman BJ, Van Goor F: Ivacaftor potentiation of multiple CFTR channels with gating mutations. J Cyst Fibros. 2012 May;11(3):237-45. doi: 10.1016/j.jcf.2011.12.005. Epub 2012 Jan 30.@@Fohner AE, McDonagh EM, Clancy JP, Whirl Carrillo M, Altman RB, Klein TE: PharmGKB summary: ivacaftor pathway, pharmacokinetics/pharmacodynamics. Pharmacogenet Genomics. 2017 Jan;27(1):39-42. doi: 10.1097/FPC.0000000000000246." Approved Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "Amines; Cytochrome P-450 CYP3A5 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Benzene Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Chloride Channel Activation Potentiators; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cystic Fibrosis Transmembrane Conductance Regulator Potentiators; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Aniline Compounds; Chloride Channel Agonists; Quinolines" CC(C)(C)C1=CC(=C(O)C=C1NC(=O)C1=CNC2=CC=CC=C2C1=O)C(C)(C)C 21511 175427103 D09916 PA165950341 Ivacaftor CHEMBL2010601 1243041 DB08827 Lomitapide BE0000232 MTTP P55157 MTP_HUMAN antagonist Approved; Investigational Fluorenes Organic compounds; Benzenoids; Fluorenes "Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Lipid Modifying Agents; Microsomal Triglyceride Transfer Protein Inhibitor; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Lipid Modifying Agents, Plain; Hepatotoxic Agents; Microsomal Triglyceride Transfer Protein Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)C2=C(C=CC=C2)C2=CC=C(C=C2)C(F)(F)F)C2=CC=CC=C2C2=CC=CC=C12 22241 175427108 D09637 PA166114922 Lomitapide CHEMBL354541 1364479 DB08828 Vismodegib BE0004659 SMO Q99835 SMO_HUMAN antagonist 23662017; 24350028 "Sandhiya S, Melvin G, Kumar SS, Dkhar SA: The dawn of hedgehog inhibitors: Vismodegib. J Pharmacol Pharmacother. 2013 Jan;4(1):4-7. doi: 10.4103/0976-500X.107628.@@Aditya S, Rattan A: Vismodegib: A smoothened inhibitor for the treatment of advanced basal cell carcinoma. Indian Dermatol Online J. 2013 Oct;4(4):365-8. doi: 10.4103/2229-5178.120685." Approved; Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Amines; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Hedgehog Pathway Inhibitor; Aniline Compounds; Smoothened Receptor Antagonists; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Hedgehog pathway inhibitors CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)NC1=CC=C(Cl)C(=C1)C1=CC=CC=N1 22125 175427109 D09992 PA166048558 Vismodegib CHEMBL473417 1242987 DB08834 Tauroursodeoxycholic acid BE0008988 ITGA5 P08648 ITA5_HUMAN activator 24891994; 23456677 "Vang S, Longley K, Steer CJ, Low WC: The Unexpected Uses of Urso- and Tauroursodeoxycholic Acid in the Treatment of Non-liver Diseases. Glob Adv Health Med. 2014 May;3(3):58-69. doi: 10.7453/gahmj.2014.017.@@Beuers U: beta1 integrin is a long-sought sensor for tauroursodeoxycholic acid. Hepatology. 2013 Mar;57(3):867-9. doi: 10.1002/hep.26228." Approved; Investigational Taurinated bile acids and derivatives "Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives" Taurodeoxycholic Acid; Bile Acids and Salts; Cholic Acids; Isomerism; Cholanes; Cholagogues and Choleretics; Sulfur Compounds; Gastrointestinal Agents [H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C 23741 175427112 Ursodoxicoltaurine CHEMBL272427 2613950 DB08835 Spaglumic acid BE0000568 FOLH1 Q04609 FOLH1_HUMAN ligand 24508213 "Bandari RP, Jiang Z, Reynolds TS, Bernskoetter NE, Szczodroski AF, Bassuner KJ, Kirkpatrick DL, Rold TL, Sieckman GL, Hoffman TJ, Connors JP, Smith CJ: Synthesis and biological evaluation of copper-64 radiolabeled [DUPA-6-Ahx-(NODAGA)-5-Ava-BBN(7-14)NH2], a novel bivalent targeting vector having affinity for two distinct biomarkers (GRPr/PSMA) of prostate cancer. Nucl Med Biol. 2014 Apr;41(4):355-63. doi: 10.1016/j.nucmedbio.2014.01.001. Epub 2014 Jan 10." Experimental Hybrid peptides Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides "Antiallergic Agents, Excl. Corticosteroids; Decongestants and Antiallergics; Ophthalmologicals; Nasal Preparations; Sensory Organs; Mast Cell Stabilizers" CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O 175427113 D07374 N-Acetylaspartylglutamic_acid CHEMBL2105616 DB08837 Tetraethylammonium BE0002343 CHRNA9 Q9UGM1 ACHA9_HUMAN agonist 12824448 "Akk G, Steinbach JH: Activation and block of mouse muscle-type nicotinic receptors by tetraethylammonium. J Physiol. 2003 Aug 15;551(Pt 1):155-68. Epub 2003 Jun 24." Experimental; Investigational Tetraalkylammonium salts Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts MATE 1 Substrates; Quaternary Ammonium Compounds; Cardiovascular Agents; MATE 2 Substrates; Onium Compounds; Amines; Tetraethylammonium Compounds; Ganglion Blockers; MATE substrates; Potassium Channel Blockers; Membrane Transport Modulators; OCT2 Substrates CC[N+](CC)(CC)CC 175427115 Tetraethylammonium CHEMBL9324 DB08838 Agmatine BE0003580 NISCH Q9Y2I1 NISCH_HUMAN agonist 7906055 "Li G, Regunathan S, Barrow CJ, Eshraghi J, Cooper R, Reis DJ: Agmatine: an endogenous clonidine-displacing substance in the brain. Science. 1994 Feb 18;263(5149):966-9." Experimental Guanidines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines Antiarrhythmic agents; Anticholinergic Agents; OCT1 substrates; Nicotinic Antagonists; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Amidines; Guanidines; Calcium Channel Blockers; Vasodilating Agents; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists; OCT2 Substrates NCCCCNC(N)=N 175427116 Agmatine CHEMBL58343 DB08838 Agmatine BE0000365 GRIN1 Q05586 NMDZ1_HUMAN antagonist 9918557 "Yang XC, Reis DJ: Agmatine selectively blocks the N-methyl-D-aspartate subclass of glutamate receptor channels in rat hippocampal neurons. J Pharmacol Exp Ther. 1999 Feb;288(2):544-9." Experimental Guanidines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines Antiarrhythmic agents; Anticholinergic Agents; OCT1 substrates; Nicotinic Antagonists; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Amidines; Guanidines; Calcium Channel Blockers; Vasodilating Agents; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists; OCT2 Substrates NCCCCNC(N)=N 175427116 Agmatine CHEMBL58343 DB08838 Agmatine BE0002226 CACNA1B Q00975 CAC1B_HUMAN antagonist 12904272 "Weng XC, Gai XD, Zheng JQ, Li J: Agmatine blocked voltage-gated calcium channel in cultured rat hippocampal neurons. Acta Pharmacol Sin. 2003 Aug;24(8):746-50." Experimental Guanidines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines Antiarrhythmic agents; Anticholinergic Agents; OCT1 substrates; Nicotinic Antagonists; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Amidines; Guanidines; Calcium Channel Blockers; Vasodilating Agents; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists; OCT2 Substrates NCCCCNC(N)=N 175427116 Agmatine CHEMBL58343 DB08846 Ellagic acid BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 20185318 "Innocenti A, Beyza Ozturk Sarikaya S, Gulcin I, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-64. doi: 10.1016/j.bmc.2010.01.076. Epub 2010 Feb 6." Investigational Hydrolyzable tannins Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins "Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans" OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2 175427119 Ellagic_acid CHEMBL6246 1043181 DB08846 Ellagic acid BE0003625 CA3 P07451 CAH3_HUMAN inhibitor 20185318 "Innocenti A, Beyza Ozturk Sarikaya S, Gulcin I, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-64. doi: 10.1016/j.bmc.2010.01.076. Epub 2010 Feb 6." Investigational Hydrolyzable tannins Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins "Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans" OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2 175427119 Ellagic_acid CHEMBL6246 1043181 DB08846 Ellagic acid BE0003626 CA5A P35218 CAH5A_HUMAN inhibitor 20185318 "Innocenti A, Beyza Ozturk Sarikaya S, Gulcin I, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-64. doi: 10.1016/j.bmc.2010.01.076. Epub 2010 Feb 6." Investigational Hydrolyzable tannins Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins "Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans" OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2 175427119 Ellagic_acid CHEMBL6246 1043181 DB08846 Ellagic acid BE0003627 CA5B Q9Y2D0 CAH5B_HUMAN inhibitor 20185318 "Innocenti A, Beyza Ozturk Sarikaya S, Gulcin I, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-64. doi: 10.1016/j.bmc.2010.01.076. Epub 2010 Feb 6." Investigational Hydrolyzable tannins Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins "Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans" OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2 175427119 Ellagic_acid CHEMBL6246 1043181 DB08846 Ellagic acid BE0003628 CA6 P23280 CAH6_HUMAN inhibitor 20185318 "Innocenti A, Beyza Ozturk Sarikaya S, Gulcin I, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-64. doi: 10.1016/j.bmc.2010.01.076. Epub 2010 Feb 6." Investigational Hydrolyzable tannins Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins "Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans" OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2 175427119 Ellagic_acid CHEMBL6246 1043181 DB08846 Ellagic acid BE0001209 CSNK2A1 P68400 CSK21_HUMAN inhibitor 19414254; 16610779; 10592235 "Sekiguchi Y, Nakaniwa T, Kinoshita T, Nakanishi I, Kitaura K, Hirasawa A, Tsujimoto G, Tada T: Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid. Bioorg Med Chem Lett. 2009 Jun 1;19(11):2920-3. doi: 10.1016/j.bmcl.2009.04.076. Epub 2009 Apr 22.@@Cozza G, Bonvini P, Zorzi E, Poletto G, Pagano MA, Sarno S, Donella-Deana A, Zagotto G, Rosolen A, Pinna LA, Meggio F, Moro S: Identification of ellagic acid as potent inhibitor of protein kinase CK2: a successful example of a virtual screening application. J Med Chem. 2006 Apr 20;49(8):2363-6.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Hydrolyzable tannins Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins "Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans" OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2 175427119 Ellagic_acid CHEMBL6246 1043181 DB08846 Ellagic acid BE0003761 PRKACA P17612 KAPCA_HUMAN inhibitor 9581512 "Wang BH, Lu ZX, Polya GM: Inhibition of eukaryote serine/threonine-specific protein kinases by piceatannol. Planta Med. 1998 Apr;64(3):195-9." Investigational Hydrolyzable tannins Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins "Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans" OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2 175427119 Ellagic_acid CHEMBL6246 1043181 DB08846 Ellagic acid BE0001132 PRKCA P17252 KPCA_HUMAN inhibitor 9581512 "Wang BH, Lu ZX, Polya GM: Inhibition of eukaryote serine/threonine-specific protein kinases by piceatannol. Planta Med. 1998 Apr;64(3):195-9." Investigational Hydrolyzable tannins Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins "Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans" OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2 175427119 Ellagic_acid CHEMBL6246 1043181 DB08846 Ellagic acid BE0000872 PRKCB P05771 KPCB_HUMAN inhibitor 9581512 "Wang BH, Lu ZX, Polya GM: Inhibition of eukaryote serine/threonine-specific protein kinases by piceatannol. Planta Med. 1998 Apr;64(3):195-9." Investigational Hydrolyzable tannins Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins "Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans" OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2 175427119 Ellagic_acid CHEMBL6246 1043181 DB08846 Ellagic acid BE0001316 SYK P43405 KSYK_HUMAN inhibitor 16610779 "Cozza G, Bonvini P, Zorzi E, Poletto G, Pagano MA, Sarno S, Donella-Deana A, Zagotto G, Rosolen A, Pinna LA, Meggio F, Moro S: Identification of ellagic acid as potent inhibitor of protein kinase CK2: a successful example of a virtual screening application. J Med Chem. 2006 Apr 20;49(8):2363-6." Investigational Hydrolyzable tannins Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins "Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans" OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2 175427119 Ellagic_acid CHEMBL6246 1043181 DB08846 Ellagic acid BE0000577 SQLE Q14534 ERG1_HUMAN inhibitor 11520216 "Abe I, Kashiwagi Y, Noguchi H, Tanaka T, Ikeshiro Y, Kashiwada Y: Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase. J Nat Prod. 2001 Aug;64(8):1010-4." Investigational Hydrolyzable tannins Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins "Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans" OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2 175427119 Ellagic_acid CHEMBL6246 1043181 DB08848 Guvacine BE0000249 SLC6A1 P30531 SC6A1_HUMAN inhibitor 20512624 "Sunol C, Babot Z, Cristofol R, Sonnewald U, Waagepetersen HS, Schousboe A: A possible role of the non-GAT1 GABA transporters in transfer of GABA from GABAergic to glutamatergic neurons in mouse cerebellar neuronal cultures. Neurochem Res. 2010 Sep;35(9):1384-90. doi: 10.1007/s11064-010-0196-1. Epub 2010 May 30." Experimental Alkaloids and derivatives Organic compounds; Alkaloids and derivatives Pyridines OC(=O)C1=CCCNC1 175427121 Guvacine CHEMBL76768 DB08848 Guvacine BE0004733 SLC6A11 P48066 S6A11_HUMAN inhibitor 20512624 "Sunol C, Babot Z, Cristofol R, Sonnewald U, Waagepetersen HS, Schousboe A: A possible role of the non-GAT1 GABA transporters in transfer of GABA from GABAergic to glutamatergic neurons in mouse cerebellar neuronal cultures. Neurochem Res. 2010 Sep;35(9):1384-90. doi: 10.1007/s11064-010-0196-1. Epub 2010 May 30." Experimental Alkaloids and derivatives Organic compounds; Alkaloids and derivatives Pyridines OC(=O)C1=CCCNC1 175427121 Guvacine CHEMBL76768 DB08855 Leukotriene C4 BE0000099 CYSLTR2 Q9NS75 CLTR2_HUMAN 11093801 "Nothacker HP, Wang Z, Zhu Y, Reinscheid RK, Lin SH, Civelli O: Molecular cloning and characterization of a second human cysteinyl leukotriene receptor: discovery of a subtype selective agonist. Mol Pharmacol. 2000 Dec;58(6):1601-8." Experimental; Investigational Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "SRS-A; Fatty Acids, Essential; Inflammation Mediators; Biological Factors; Lipids; Autacoids; Fatty Acids; Leukotrienes; Eicosanoids; Fatty Acids, Unsaturated; Arachidonic Acids" CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O Leukotriene_C4 CHEMBL451509 DB08855 Leukotriene C4 BE0000785 ABCC1 P33527 MRP1_HUMAN 15628876 "Karwatsky J, Leimanis M, Cai J, Gros P, Georges E: The leucotriene C4 binding sites in multidrug resistance protein 1 (ABCC1) include the first membrane multiple spanning domain. Biochemistry. 2005 Jan 11;44(1):340-51." Experimental; Investigational Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "SRS-A; Fatty Acids, Essential; Inflammation Mediators; Biological Factors; Lipids; Autacoids; Fatty Acids; Leukotrienes; Eicosanoids; Fatty Acids, Unsaturated; Arachidonic Acids" CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O Leukotriene_C4 CHEMBL451509 DB08860 Pitavastatin BE0000574 HMGCR P04035 HMDH_HUMAN inhibitor 22472908; 28130659 "Morgan RE, Campbell SE, Yu CY, Sponseller CA, Muster HA: Comparison of the safety, tolerability, and pharmacokinetic profile of a single oral dose of pitavastatin 4 mg in adult subjects with severe renal impairment not on hemodialysis versus healthy adult subjects. J Cardiovasc Pharmacol. 2012 Jul;60(1):42-8. doi: 10.1097/FJC.0b013e318256cdf0.@@Hoy SM: Pitavastatin: A Review in Hypercholesterolemia. Am J Cardiovasc Drugs. 2017 Apr;17(2):157-168. doi: 10.1007/s40256-017-0213-8." Approved Phenylquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines "OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; P-glycoprotein substrates; Lipid Regulating Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Heterocyclic Compounds, Fused-Ring; Lipid Modifying Agents, Plain; UGT1A3 substrates; Anticholesteremic Agents; OATP2B1/SLCO2B1 substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Toxic Actions" O[C@H](C[C@H](O)\C=C\C1=C(N=C2C=CC=CC2=C1C1=CC=C(F)C=C1)C1CC1)CC(O)=O 175427122 D01862 PA142650384 Pitavastatin CHEMBL1201753 861634 DB08860 Pitavastatin BE0000516 ITGAL P20701 ITAL_HUMAN 11385505; 15822172 "Weitz-Schmidt G, Welzenbach K, Brinkmann V, Kamata T, Kallen J, Bruns C, Cottens S, Takada Y, Hommel U: Statins selectively inhibit leukocyte function antigen-1 by binding to a novel regulatory integrin site. Nat Med. 2001 Jun;7(6):687-92. doi: 10.1038/89058.@@Liao JK, Laufs U: Pleiotropic effects of statins. Annu Rev Pharmacol Toxicol. 2005;45:89-118. doi: 10.1146/annurev.pharmtox.45.120403.095748." Approved Phenylquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines "OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; P-glycoprotein substrates; Lipid Regulating Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Heterocyclic Compounds, Fused-Ring; Lipid Modifying Agents, Plain; UGT1A3 substrates; Anticholesteremic Agents; OATP2B1/SLCO2B1 substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Toxic Actions" O[C@H](C[C@H](O)\C=C\C1=C(N=C2C=CC=CC2=C1C1=CC=C(F)C=C1)C1CC1)CC(O)=O 175427122 D01862 PA142650384 Pitavastatin CHEMBL1201753 861634 DB08862 Cholecystokinin BE0000036 RAF1 P04049 RAF1_HUMAN agonist Approved; Investigational "OATP1B1/SLCO1B1 Inhibitors; Gastrointestinal Hormones; Cholecystokinin, antagonists & inhibitors; Diagnostic Agents; OATP1B3 substrates; Peptides; OATP1B1/SLCO1B1 Substrates; Cholagogues and Choleretics; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cholecystokinin, agonists; Tests for Pancreatic Function; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 2068 347910375 Cholecystokinin 2420 DB08862 Cholecystokinin BE0000953 EGF P01133 EGF_HUMAN Approved; Investigational "OATP1B1/SLCO1B1 Inhibitors; Gastrointestinal Hormones; Cholecystokinin, antagonists & inhibitors; Diagnostic Agents; OATP1B3 substrates; Peptides; OATP1B1/SLCO1B1 Substrates; Cholagogues and Choleretics; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cholecystokinin, agonists; Tests for Pancreatic Function; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 2068 347910375 Cholecystokinin 2420 DB08862 Cholecystokinin BE0000872 PRKCB P05771 KPCB_HUMAN agonist Approved; Investigational "OATP1B1/SLCO1B1 Inhibitors; Gastrointestinal Hormones; Cholecystokinin, antagonists & inhibitors; Diagnostic Agents; OATP1B3 substrates; Peptides; OATP1B1/SLCO1B1 Substrates; Cholagogues and Choleretics; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cholecystokinin, agonists; Tests for Pancreatic Function; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 2068 347910375 Cholecystokinin 2420 DB08865 Crizotinib BE0000359 ALK Q9UM73 ALK_HUMAN inhibitor 22594847 "Forde PM, Rudin CM: Crizotinib in the treatment of non-small-cell lung cancer. Expert Opin Pharmacother. 2012 Jun;13(8):1195-201. doi: 10.1517/14656566.2012.688029." Approved; Investigational Pyrazolylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrazolylpyridines Cytochrome P-450 CYP2B6 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Organic Cation Transporter 1 Inhibitors; Anaplastic lymphoma kinase (ALK) inhibitors; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Piperidines; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Aminopyridines; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs C[C@@H](OC1=CC(=CN=C1N)C1=CN(N=C1)C1CCNCC1)C1=C(Cl)C=CC(F)=C1Cl 21291 310264901 D09731 PA165946122 Crizotinib CHEMBL601719 1148495 DB08865 Crizotinib BE0000915 MET P08581 MET_HUMAN inhibitor 22594847; 10592235 "Forde PM, Rudin CM: Crizotinib in the treatment of non-small-cell lung cancer. Expert Opin Pharmacother. 2012 Jun;13(8):1195-201. doi: 10.1517/14656566.2012.688029.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Pyrazolylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrazolylpyridines Cytochrome P-450 CYP2B6 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Organic Cation Transporter 1 Inhibitors; Anaplastic lymphoma kinase (ALK) inhibitors; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Piperidines; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Aminopyridines; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs C[C@@H](OC1=CC(=CN=C1N)C1=CN(N=C1)C1CCNCC1)C1=C(Cl)C=CC(F)=C1Cl 21291 310264901 D09731 PA165946122 Crizotinib CHEMBL601719 1148495 DB08865 Crizotinib BE0009534 ROS1 P08922 ROS1_HUMAN inhibitor Approved; Investigational Pyrazolylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrazolylpyridines Cytochrome P-450 CYP2B6 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Organic Cation Transporter 1 Inhibitors; Anaplastic lymphoma kinase (ALK) inhibitors; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Piperidines; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Aminopyridines; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs C[C@@H](OC1=CC(=CN=C1N)C1=CN(N=C1)C1CCNCC1)C1=C(Cl)C=CC(F)=C1Cl 21291 310264901 D09731 PA165946122 Crizotinib CHEMBL601719 1148495 DB08867 Ulipristal BE0000557 PGR P06401 PRGR_HUMAN modulator 23437846 "Gemzell-Danielsson K, Rabe T, Cheng L: Emergency contraception. Gynecol Endocrinol. 2013 Mar;29 Suppl 1:1-14. doi: 10.3109/09513590.2013.774591." Approved 20-oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids "Norsteroids; Cytochrome P-450 CYP3A Substrates; Selective Progesterone Receptor Modulators; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Progesterone Receptor Modulators; Contraceptive Agents, Hormonal; Progesterone Agonist/Antagonist; Contraceptive Agents, Female; Cytochrome P-450 CYP1A2 Substrates; Reproductive Control Agents" CN(C)C1=CC=C(C=C1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CCC3=CC(=O)CCC3=C12 22109 310264902 D09567 Ulipristal_acetate CHEMBL2103846 1005921 DB08867 Ulipristal BE0000794 NR3C1 P04150 GCR_HUMAN antagonist 23437846 "Gemzell-Danielsson K, Rabe T, Cheng L: Emergency contraception. Gynecol Endocrinol. 2013 Mar;29 Suppl 1:1-14. doi: 10.3109/09513590.2013.774591." Approved 20-oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids "Norsteroids; Cytochrome P-450 CYP3A Substrates; Selective Progesterone Receptor Modulators; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Progesterone Receptor Modulators; Contraceptive Agents, Hormonal; Progesterone Agonist/Antagonist; Contraceptive Agents, Female; Cytochrome P-450 CYP1A2 Substrates; Reproductive Control Agents" CN(C)C1=CC=C(C=C1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CCC3=CC(=O)CCC3=C12 22109 310264902 D09567 Ulipristal_acetate CHEMBL2103846 1005921 DB08867 Ulipristal BE0000132 AR P10275 ANDR_HUMAN 23437846 "Gemzell-Danielsson K, Rabe T, Cheng L: Emergency contraception. Gynecol Endocrinol. 2013 Mar;29 Suppl 1:1-14. doi: 10.3109/09513590.2013.774591." Approved 20-oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids "Norsteroids; Cytochrome P-450 CYP3A Substrates; Selective Progesterone Receptor Modulators; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Progesterone Receptor Modulators; Contraceptive Agents, Hormonal; Progesterone Agonist/Antagonist; Contraceptive Agents, Female; Cytochrome P-450 CYP1A2 Substrates; Reproductive Control Agents" CN(C)C1=CC=C(C=C1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CCC3=CC(=O)CCC3=C12 22109 310264902 D09567 Ulipristal_acetate CHEMBL2103846 1005921 DB08868 Fingolimod BE0002432 S1PR5 Q9H228 S1PR5_HUMAN modulator 23579459; 23579456 "Zu Heringdorf DM, Ihlefeld K, Pfeilschifter J: Pharmacology of the sphingosine-1-phosphate signalling system. Handb Exp Pharmacol. 2013;(215):239-53. doi: 10.1007/978-3-7091-1368-4_13.@@Bhabak KP, Arenz C: Novel drugs targeting sphingolipid metabolism. Handb Exp Pharmacol. 2013;(215):187-96. doi: 10.1007/978-3-7091-1368-4_10." Approved; Investigational Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines Immunomodulatory Agents; Amines; P-glycoprotein inducers; Amino Alcohols; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Glycols; Immunologic Factors; Alcohols; Sphingosine 1 Phosphate Receptor Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Selective Immunosuppressants; Immunosuppressive Agents; Propylene Glycols; Antineoplastic and Immunomodulating Agents; Bradycardia-Causing Agents; Sphingosine 1-phosphate Receptor Modulator CCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1 20671 175427125 D10001 Fingolimod CHEMBL314854 1012892 DB08868 Fingolimod BE0002365 HDAC1 Q13547 HDAC1_HUMAN inhibitor 24859201; 26053034; 31826690 "Hait NC, Wise LE, Allegood JC, O'Brien M, Avni D, Reeves TM, Knapp PE, Lu J, Luo C, Miles MF, Milstien S, Lichtman AH, Spiegel S: Active, phosphorylated fingolimod inhibits histone deacetylases and facilitates fear extinction memory. Nat Neurosci. 2014 Jul;17(7):971-80. doi: 10.1038/nn.3728. Epub 2014 May 25.@@Hait NC, Avni D, Yamada A, Nagahashi M, Aoyagi T, Aoki H, Dumur CI, Zelenko Z, Gallagher EJ, Leroith D, Milstien S, Takabe K, Spiegel S: The phosphorylated prodrug FTY720 is a histone deacetylase inhibitor that reactivates ERalpha expression and enhances hormonal therapy for breast cancer. Oncogenesis. 2015 Jun 8;4:e156. doi: 10.1038/oncsis.2015.16.@@Perla AS, Fratini L, Cardoso PS, de Farias CB, da Cunha Jaeger M, Roesler R: Fingolimod (FTY720) reduces viability and survival and increases histone H3 acetylation in medulloblastoma cells. Pediatr Hematol Oncol. 2020 Mar;37(2):170-175. doi: 10.1080/08880018.2019.1699213. Epub 2019 Dec 11." Approved; Investigational Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines Immunomodulatory Agents; Amines; P-glycoprotein inducers; Amino Alcohols; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Glycols; Immunologic Factors; Alcohols; Sphingosine 1 Phosphate Receptor Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Selective Immunosuppressants; Immunosuppressive Agents; Propylene Glycols; Antineoplastic and Immunomodulating Agents; Bradycardia-Causing Agents; Sphingosine 1-phosphate Receptor Modulator CCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1 20671 175427125 D10001 Fingolimod CHEMBL314854 1012892 DB08870 Brentuximab vedotin BE0003479 TNFRSF8 P28908 TNR8_HUMAN binder 12714494; 33807678 "Francisco JA, Cerveny CG, Meyer DL, Mixan BJ, Klussman K, Chace DF, Rejniak SX, Gordon KA, DeBlanc R, Toki BE, Law CL, Doronina SO, Siegall CB, Senter PD, Wahl AF: cAC10-vcMMAE, an anti-CD30-monomethyl auristatin E conjugate with potent and selective antitumor activity. Blood. 2003 Aug 15;102(4):1458-65. Epub 2003 Apr 24.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; CD30-directed Antibody Interactions; Immunoproteins; Antibodies, Monoclonal, Humanized; Cytochrome P-450 CYP3A Substrates; Globulins; Noxae; Amino Acids, Peptides, and Proteins; CD30-directed Immunoconjugate; Antibodies; Immunotherapy; Immunotoxins; Cytochrome P-450 Substrates; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Proteins; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Immunoglobulins; Oligopeptides; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peptides; Antibody-drug Conjugates; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents, Immunological; Microtubule Inhibition; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoconjugates; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs; Toxic Actions; Blood Proteins" 21796 347910376 D09587 Brentuximab_vedotin CHEMBL1742994 1147320 DB08871 Eribulin BE0000246 BCL2 P10415 BCL2_HUMAN 15313917 "Kuznetsov G, Towle MJ, Cheng H, Kawamura T, TenDyke K, Liu D, Kishi Y, Yu MJ, Littlefield BA: Induction of morphological and biochemical apoptosis following prolonged mitotic blockage by halichondrin B macrocyclic ketone analog E7389. Cancer Res. 2004 Aug 15;64(16):5760-6." Approved; Investigational "Ethers, Cyclic; Potential QTc-Prolonging Agents; Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; QTc Prolonging Agents; Lactones; Polyketides; Ethers; Narrow Therapeutic Index Drugs; Microtubule Inhibitors; Microtubule Inhibition; Antineoplastic Agents" [H][C@@]12CC(=C)[C@]([H])(CC[C@@]3([H])C[C@@H](C)C(=C)[C@@]([H])(C[C@]4([H])O[C@H](C[C@H](O)CN)[C@H](OC)[C@@]4([H])CC(=O)C[C@@]4([H])CC[C@]5([H])O[C@@]6([H])[C@H]7O[C@@]8(C[C@]7([H])O[C@@]6([H])[C@@]([H])(O8)[C@@]5([H])O4)CC1)O3)O2 21079 175427126 D08914 Eribulin CHEMBL1683590 1045453 DB08871 Eribulin BE0000026 TUBB1 Q9H4B7 TBB1_HUMAN 16940412 "Dabydeen DA, Burnett JC, Bai R, Verdier-Pinard P, Hickford SJ, Pettit GR, Blunt JW, Munro MH, Gussio R, Hamel E: Comparison of the activities of the truncated halichondrin B analog NSC 707389 (E7389) with those of the parent compound and a proposed binding site on tubulin. Mol Pharmacol. 2006 Dec;70(6):1866-75. Epub 2006 Aug 29." Approved; Investigational "Ethers, Cyclic; Potential QTc-Prolonging Agents; Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; QTc Prolonging Agents; Lactones; Polyketides; Ethers; Narrow Therapeutic Index Drugs; Microtubule Inhibitors; Microtubule Inhibition; Antineoplastic Agents" [H][C@@]12CC(=C)[C@]([H])(CC[C@@]3([H])C[C@@H](C)C(=C)[C@@]([H])(C[C@]4([H])O[C@H](C[C@H](O)CN)[C@H](OC)[C@@]4([H])CC(=O)C[C@@]4([H])CC[C@]5([H])O[C@@]6([H])[C@H]7O[C@@]8(C[C@]7([H])O[C@@]6([H])[C@@]([H])(O8)[C@@]5([H])O4)CC1)O3)O2 21079 175427126 D08914 Eribulin CHEMBL1683590 1045453 DB08872 Gabapentin enacarbil BE0000691 CACNA2D1 P54289 CA2D1_HUMAN Approved; Investigational Gamma amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Aminobutyrates; Central Nervous System Depressants; Acids, Acyclic; Anti-epileptic Agent; Drugs that are Mainly Renally Excreted; Amino Acids, Peptides, and Proteins; Butyrates; Gabapentin and Prodrugs" CC(C)C(=O)OC(C)OC(=O)NCC1(CC(O)=O)CCCCC1 347827805 D09539 Gabapentin_enacarbil CHEMBL1628502 1101333 DB08875 Cabozantinib BE0000915 MET P08581 MET_HUMAN antagonist 21606412; 21926191 "Kurzrock R, Sherman SI, Ball DW, Forastiere AA, Cohen RB, Mehra R, Pfister DG, Cohen EE, Janisch L, Nauling F, Hong DS, Ng CS, Ye L, Gagel RF, Frye J, Muller T, Ratain MJ, Salgia R: Activity of XL184 (Cabozantinib), an oral tyrosine kinase inhibitor, in patients with medullary thyroid cancer. J Clin Oncol. 2011 Jul 1;29(19):2660-6. doi: 10.1200/JCO.2010.32.4145. Epub 2011 May 23.@@Yakes FM, Chen J, Tan J, Yamaguchi K, Shi Y, Yu P, Qian F, Chu F, Bentzien F, Cancilla B, Orf J, You A, Laird AD, Engst S, Lee L, Lesch J, Chou YC, Joly AH: Cabozantinib (XL184), a novel MET and VEGFR2 inhibitor, simultaneously suppresses metastasis, angiogenesis, and tumor growth. Mol Cancer Ther. 2011 Dec;10(12):2298-308. doi: 10.1158/1535-7163.MCT-11-0264. Epub 2011 Sep 16." Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Amines; Cytochrome P-450 CYP3A Substrates; Amides; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptor Protein-Tyrosine Kinases, antagonists & inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Kinase Inhibitor; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Aniline Compounds; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Narrow Therapeutic Index Drugs" COC1=CC2=C(C=C1OC)C(OC1=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2 22975 347827806 D10062 Cabozantinib CHEMBL2105717 1363268 DB08875 Cabozantinib BE0002411 RET P07949 RET_HUMAN antagonist 21606412 "Kurzrock R, Sherman SI, Ball DW, Forastiere AA, Cohen RB, Mehra R, Pfister DG, Cohen EE, Janisch L, Nauling F, Hong DS, Ng CS, Ye L, Gagel RF, Frye J, Muller T, Ratain MJ, Salgia R: Activity of XL184 (Cabozantinib), an oral tyrosine kinase inhibitor, in patients with medullary thyroid cancer. J Clin Oncol. 2011 Jul 1;29(19):2660-6. doi: 10.1200/JCO.2010.32.4145. Epub 2011 May 23." Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Amines; Cytochrome P-450 CYP3A Substrates; Amides; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptor Protein-Tyrosine Kinases, antagonists & inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Kinase Inhibitor; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Aniline Compounds; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Narrow Therapeutic Index Drugs" COC1=CC2=C(C=C1OC)C(OC1=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2 22975 347827806 D10062 Cabozantinib CHEMBL2105717 1363268 DB08877 Ruxolitinib BE0002408 JAK2 O60674 JAK2_HUMAN inhibitor 23514013; 23061804; 21919691 "Cervantes F, Martinez-Trillos A: Myelofibrosis: an update on current pharmacotherapy and future directions. Expert Opin Pharmacother. 2013 May;14(7):873-84. doi: 10.1517/14656566.2013.783019. Epub 2013 Mar 21.@@Yang LP, Keating GM: Ruxolitinib: in the treatment of myelofibrosis. Drugs. 2012 Nov 12;72(16):2117-27. doi: 10.2165/11209340-000000000-00000.@@Ostojic A, Vrhovac R, Verstovsek S: Ruxolitinib: a new JAK1/2 inhibitor that offers promising options for treatment of myelofibrosis. Future Oncol. 2011 Sep;7(9):1035-43. doi: 10.2217/fon.11.81." Approved "Pyrrolo[2,3-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines" "Janus Kinases, antagonists & inhibitors; Myelosuppressive Agents; Cancer immunotherapy; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Protein Kinase Inhibitors; Immunotherapy; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Janus Kinase Inhibitor; Antineoplastic Agents; Kinase Inhibitor; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Agents for Dermatitis, Excluding Corticosteroids; Narrow Therapeutic Index Drugs" N#CC[C@H](C1CCCC1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1 21376 175427129 D09959 PA166123386 Ruxolitinib CHEMBL1789941 1193326 DB08877 Ruxolitinib BE0004145 JAK1 P23458 JAK1_HUMAN inhibitor 23514013; 23061804; 21919691 "Cervantes F, Martinez-Trillos A: Myelofibrosis: an update on current pharmacotherapy and future directions. Expert Opin Pharmacother. 2013 May;14(7):873-84. doi: 10.1517/14656566.2013.783019. Epub 2013 Mar 21.@@Yang LP, Keating GM: Ruxolitinib: in the treatment of myelofibrosis. Drugs. 2012 Nov 12;72(16):2117-27. doi: 10.2165/11209340-000000000-00000.@@Ostojic A, Vrhovac R, Verstovsek S: Ruxolitinib: a new JAK1/2 inhibitor that offers promising options for treatment of myelofibrosis. Future Oncol. 2011 Sep;7(9):1035-43. doi: 10.2217/fon.11.81." Approved "Pyrrolo[2,3-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines" "Janus Kinases, antagonists & inhibitors; Myelosuppressive Agents; Cancer immunotherapy; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Protein Kinase Inhibitors; Immunotherapy; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Janus Kinase Inhibitor; Antineoplastic Agents; Kinase Inhibitor; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Agents for Dermatitis, Excluding Corticosteroids; Narrow Therapeutic Index Drugs" N#CC[C@H](C1CCCC1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1 21376 175427129 D09959 PA166123386 Ruxolitinib CHEMBL1789941 1193326 DB08877 Ruxolitinib BE0003493 JAK3 P52333 JAK3_HUMAN inhibitor 23061804; 21919691 "Yang LP, Keating GM: Ruxolitinib: in the treatment of myelofibrosis. Drugs. 2012 Nov 12;72(16):2117-27. doi: 10.2165/11209340-000000000-00000.@@Ostojic A, Vrhovac R, Verstovsek S: Ruxolitinib: a new JAK1/2 inhibitor that offers promising options for treatment of myelofibrosis. Future Oncol. 2011 Sep;7(9):1035-43. doi: 10.2217/fon.11.81." Approved "Pyrrolo[2,3-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines" "Janus Kinases, antagonists & inhibitors; Myelosuppressive Agents; Cancer immunotherapy; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Protein Kinase Inhibitors; Immunotherapy; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Janus Kinase Inhibitor; Antineoplastic Agents; Kinase Inhibitor; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Agents for Dermatitis, Excluding Corticosteroids; Narrow Therapeutic Index Drugs" N#CC[C@H](C1CCCC1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1 21376 175427129 D09959 PA166123386 Ruxolitinib CHEMBL1789941 1193326 DB08877 Ruxolitinib BE0004146 TYK2 P29597 TYK2_HUMAN inhibitor 21919691; 23061804 "Ostojic A, Vrhovac R, Verstovsek S: Ruxolitinib: a new JAK1/2 inhibitor that offers promising options for treatment of myelofibrosis. Future Oncol. 2011 Sep;7(9):1035-43. doi: 10.2217/fon.11.81.@@Yang LP, Keating GM: Ruxolitinib: in the treatment of myelofibrosis. Drugs. 2012 Nov 12;72(16):2117-27. doi: 10.2165/11209340-000000000-00000." Approved "Pyrrolo[2,3-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines" "Janus Kinases, antagonists & inhibitors; Myelosuppressive Agents; Cancer immunotherapy; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Protein Kinase Inhibitors; Immunotherapy; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Janus Kinase Inhibitor; Antineoplastic Agents; Kinase Inhibitor; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Agents for Dermatitis, Excluding Corticosteroids; Narrow Therapeutic Index Drugs" N#CC[C@H](C1CCCC1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1 21376 175427129 D09959 PA166123386 Ruxolitinib CHEMBL1789941 1193326 DB08879 Belimumab BE0000999 TNFSF13B Q9Y275 TN13B_HUMAN antibody 29396833 "Blair HA, Duggan ST: Belimumab: A Review in Systemic Lupus Erythematosus. Drugs. 2018 Mar;78(3):355-366. doi: 10.1007/s40265-018-0872-z." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Immunologic Factors; Immunoproteins; Selective Immunosuppressants; Decreased B Lymphocyte Activation; Proteins; B Lymphocyte Stimulator-directed Antibody Interactions; B Lymphocyte Stimulator-specific Inhibitor; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 20836 347910378 D03068 Belimumab CHEMBL1789843 1092437 DB08881 Vemurafenib BE0000634 BRAF P15056 BRAF_HUMAN inhibitor 23094782 "Jordan EJ, Kelly CM: Vemurafenib for the treatment of melanoma. Expert Opin Pharmacother. 2012 Dec;13(17):2533-43. doi: 10.1517/14656566.2012.737780. Epub 2012 Oct 24." Approved Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; B-Raf serine-threonine kinase (BRAF) inhibitors; Indoles; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Sulfonamides; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A Inducers; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Narrow Therapeutic Index Drugs" CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CC=C(Cl)C=C2)=C(F)C=C1 21189 175427131 D09996 PA165946873 Vemurafenib CHEMBL1229517 1147220 DB08883 Perampanel BE0000640 GRIA1 P42261 GRIA1_HUMAN antagonist 21635236 "Hanada T, Hashizume Y, Tokuhara N, Takenaka O, Kohmura N, Ogasawara A, Hatakeyama S, Ohgoh M, Ueno M, Nishizawa Y: Perampanel: a novel, orally active, noncompetitive AMPA-receptor antagonist that reduces seizure activity in rodent models of epilepsy. Epilepsia. 2011 Jul;52(7):1331-40. doi: 10.1111/j.1528-1167.2011.03109.x. Epub 2011 Jun 2." Approved Bipyridines and oligopyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines "Cytochrome P-450 CYP3A Substrates; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Miscellaneous Anticonvulsants; UGT1A9 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Receptors, AMPA, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Noncompetitive AMPA Glutamate Receptor Antagonist; Cytochrome P-450 CYP3A5 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); AMPA Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants" O=C1N(C=C(C=C1C1=CC=CC=C1C#N)C1=NC=CC=C1)C1=CC=CC=C1 22049 347827808 D08964 Perampanel CHEMBL1214124 1356552 DB08888 Ocriplasmin BE0001180 FN1 P02751 FINC_HUMAN cleavage 23193358 "Tsui I, Pan CK, Rahimy E, Schwartz SD: Ocriplasmin for vitreoretinal diseases. J Biomed Biotechnol. 2012;2012:354979. doi: 10.1155/2012/354979. Epub 2012 Oct 14." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptide Hydrolases; Ophthalmologicals; Hydrolases; Enzymes and Coenzymes; Sensory Organs; Serine Endopeptidases; Peptides; Serine Proteases; Endopeptidases; Amino Acids, Peptides, and Proteins; EENT Drugs, Miscellaneous; Enzymes; Ophthalmics" 22139 347910381 D09646 Ocriplasmin CHEMBL2095222 29998 DB08888 Ocriplasmin BE0000910 A2M P01023 A2MG_HUMAN ligand Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptide Hydrolases; Ophthalmologicals; Hydrolases; Enzymes and Coenzymes; Sensory Organs; Serine Endopeptidases; Peptides; Serine Proteases; Endopeptidases; Amino Acids, Peptides, and Proteins; EENT Drugs, Miscellaneous; Enzymes; Ophthalmics" 22139 347910381 D09646 Ocriplasmin CHEMBL2095222 29998 DB08889 Carfilzomib BE0002348 PSMB5 P28074 PSB5_HUMAN inhibitor 23393020 "Kortuem KM, Stewart AK: Carfilzomib. Blood. 2013 Feb 7;121(6):893-7. doi: 10.1182/blood-2012-10-459883." Approved; Investigational Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "P-glycoprotein inhibitors; Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Peptides; Narrow Therapeutic Index Drugs; P-glycoprotein substrates with a Narrow Therapeutic Index; Proteasome Inhibitors; P-glycoprotein substrates; Amino Acids, Peptides, and Proteins; Antineoplastic Agents" CC(C)C[C@H](NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 22678 175427135 D08880 PA166165203 Carfilzomib CHEMBL451887 1302966 DB08889 Carfilzomib BE0002347 PSMB1 P20618 PSB1_HUMAN inhibitor 17591945 "Kuhn DJ, Chen Q, Voorhees PM, Strader JS, Shenk KD, Sun CM, Demo SD, Bennett MK, van Leeuwen FW, Chanan-Khan AA, Orlowski RZ: Potent activity of carfilzomib, a novel, irreversible inhibitor of the ubiquitin-proteasome pathway, against preclinical models of multiple myeloma. Blood. 2007 Nov 1;110(9):3281-90. Epub 2007 Jun 25." Approved; Investigational Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "P-glycoprotein inhibitors; Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Peptides; Narrow Therapeutic Index Drugs; P-glycoprotein substrates with a Narrow Therapeutic Index; Proteasome Inhibitors; P-glycoprotein substrates; Amino Acids, Peptides, and Proteins; Antineoplastic Agents" CC(C)C[C@H](NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 22678 175427135 D08880 PA166165203 Carfilzomib CHEMBL451887 1302966 DB08889 Carfilzomib BE0004737 PSMB9 P28065 PSB9_HUMAN inhibitor 17591945 "Kuhn DJ, Chen Q, Voorhees PM, Strader JS, Shenk KD, Sun CM, Demo SD, Bennett MK, van Leeuwen FW, Chanan-Khan AA, Orlowski RZ: Potent activity of carfilzomib, a novel, irreversible inhibitor of the ubiquitin-proteasome pathway, against preclinical models of multiple myeloma. Blood. 2007 Nov 1;110(9):3281-90. Epub 2007 Jun 25." Approved; Investigational Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "P-glycoprotein inhibitors; Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Peptides; Narrow Therapeutic Index Drugs; P-glycoprotein substrates with a Narrow Therapeutic Index; Proteasome Inhibitors; P-glycoprotein substrates; Amino Acids, Peptides, and Proteins; Antineoplastic Agents" CC(C)C[C@H](NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 22678 175427135 D08880 PA166165203 Carfilzomib CHEMBL451887 1302966 DB08889 Carfilzomib BE0002349 PSMB2 P49721 PSB2_HUMAN inhibitor 17591945 "Kuhn DJ, Chen Q, Voorhees PM, Strader JS, Shenk KD, Sun CM, Demo SD, Bennett MK, van Leeuwen FW, Chanan-Khan AA, Orlowski RZ: Potent activity of carfilzomib, a novel, irreversible inhibitor of the ubiquitin-proteasome pathway, against preclinical models of multiple myeloma. Blood. 2007 Nov 1;110(9):3281-90. Epub 2007 Jun 25." Approved; Investigational Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "P-glycoprotein inhibitors; Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Peptides; Narrow Therapeutic Index Drugs; P-glycoprotein substrates with a Narrow Therapeutic Index; Proteasome Inhibitors; P-glycoprotein substrates; Amino Acids, Peptides, and Proteins; Antineoplastic Agents" CC(C)C[C@H](NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 22678 175427135 D08880 PA166165203 Carfilzomib CHEMBL451887 1302966 DB08891 Arbaclofen BE0002340 GABBR2 O75899 GABR2_HUMAN agonist 10658574; 15235087; 8388192; 10751439; 11008066; 19303900; 10328880; 10545129 "Belley M, Sullivan R, Reeves A, Evans J, O'Neill G, Ng GY: Synthesis of the nanomolar photoaffinity GABA(B) receptor ligand CGP 71872 reveals diversity in the tissue distribution of GABA(B) receptor forms. Bioorg Med Chem. 1999 Dec;7(12):2697-704.@@Braun M, Wendt A, Buschard K, Salehi A, Sewing S, Gromada J, Rorsman P: GABAB receptor activation inhibits exocytosis in rat pancreatic beta-cells by G-protein-dependent activation of calcineurin. J Physiol. 2004 Sep 1;559(Pt 2):397-409. Epub 2004 Jul 2.@@Bowery NG: GABAB receptor pharmacology. Annu Rev Pharmacol Toxicol. 1993;33:109-47.@@Filippov AK, Couve A, Pangalos MN, Walsh FS, Brown DA, Moss SJ: Heteromeric assembly of GABA(B)R1 and GABA(B)R2 receptor subunits inhibits Ca(2+) current in sympathetic neurons. J Neurosci. 2000 Apr 15;20(8):2867-74.@@Jones KA, Tamm JA, Craig DA, Ph D, Yao W, Panico R: Signal transduction by GABA(B) receptor heterodimers. Neuropsychopharmacology. 2000 Oct;23(4 Suppl):S41-9.@@Lehmann A: GABAB receptors as drug targets to treat gastroesophageal reflux disease. Pharmacol Ther. 2009 Jun;122(3):239-45. doi: 10.1016/j.pharmthera.2009.02.008. Epub 2009 Mar 19.@@Martin SC, Russek SJ, Farb DH: Molecular identification of the human GABABR2: cell surface expression and coupling to adenylyl cyclase in the absence of GABABR1. Mol Cell Neurosci. 1999 Mar;13(3):180-91.@@Pittman QJ: The action is at the terminal. J Physiol. 1999 Nov 1;520 Pt 3:629." Investigational Gamma amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" [H][C@@](CN)(CC(O)=O)C1=CC=C(Cl)C=C1 347827809 Arbaclofen_placarbil CHEMBL301742 DB08892 Arbaclofen Placarbil BE0002340 GABBR2 O75899 GABR2_HUMAN agonist 10658574; 15235087; 8388192; 10751439; 11008066; 19303900; 10328880; 10545129 "Belley M, Sullivan R, Reeves A, Evans J, O'Neill G, Ng GY: Synthesis of the nanomolar photoaffinity GABA(B) receptor ligand CGP 71872 reveals diversity in the tissue distribution of GABA(B) receptor forms. Bioorg Med Chem. 1999 Dec;7(12):2697-704.@@Braun M, Wendt A, Buschard K, Salehi A, Sewing S, Gromada J, Rorsman P: GABAB receptor activation inhibits exocytosis in rat pancreatic beta-cells by G-protein-dependent activation of calcineurin. J Physiol. 2004 Sep 1;559(Pt 2):397-409. Epub 2004 Jul 2.@@Bowery NG: GABAB receptor pharmacology. Annu Rev Pharmacol Toxicol. 1993;33:109-47.@@Filippov AK, Couve A, Pangalos MN, Walsh FS, Brown DA, Moss SJ: Heteromeric assembly of GABA(B)R1 and GABA(B)R2 receptor subunits inhibits Ca(2+) current in sympathetic neurons. J Neurosci. 2000 Apr 15;20(8):2867-74.@@Jones KA, Tamm JA, Craig DA, Ph D, Yao W, Panico R: Signal transduction by GABA(B) receptor heterodimers. Neuropsychopharmacology. 2000 Oct;23(4 Suppl):S41-9.@@Lehmann A: GABAB receptors as drug targets to treat gastroesophageal reflux disease. Pharmacol Ther. 2009 Jun;122(3):239-45. doi: 10.1016/j.pharmthera.2009.02.008. Epub 2009 Mar 19.@@Martin SC, Russek SJ, Farb DH: Molecular identification of the human GABABR2: cell surface expression and coupling to adenylyl cyclase in the absence of GABABR1. Mol Cell Neurosci. 1999 Mar;13(3):180-91.@@Pittman QJ: The action is at the terminal. J Physiol. 1999 Nov 1;520 Pt 3:629." Investigational Gamma amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Muscle Relaxants, Centrally Acting Agents; GABA Agents; Aminobutyrates; Neuromuscular Agents; Central Nervous System Agents; Central Nervous System Depressants; GABA Agonists; Muscle Relaxants; Neurotransmitter Agents; GABA-B Receptor Agonists; Acids, Acyclic; Peripheral Nervous System Agents; Butyrates" CC(C)[C@H](OC(=O)NC[C@H](CC(O)=O)C1=CC=C(Cl)C=C1)OC(=O)C(C)C 347827810 D08861 CHEMBL2107312 DB08893 Mirabegron BE0001012 ADRB3 P13945 ADRB3_HUMAN agonist 23550899 "Kashyap M, Tyagi P: The pharmacokinetic evaluation of mirabegron as an overactive bladder therapy option. Expert Opin Drug Metab Toxicol. 2013 May;9(5):617-27. doi: 10.1517/17425255.2013.786700. Epub 2013 Apr 4." Approved Anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Adrenergic beta-Agonists; Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; QTc Prolonging Agents; Amines; Cytochrome P-450 CYP3A Substrates; Amides; Agents producing tachycardia; OCT2 Substrates; OCT1 substrates; Urological Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; UGT1A3 substrates; Urologicals; Selective Beta 3-adrenergic Agonists; Agents that produce hypertension; Anilides; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Aniline Compounds; Drugs for Urinary Frequency and Incontinence; Adrenergic beta-3 Receptor Agonists; Cholinesterase substrates; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Sulfur Compounds; Adrenergic Agents NC1=NC(CC(=O)NC2=CC=C(CCNC[C@H](O)C3=CC=CC=C3)C=C2)=CS1 22029 175427137 D09535 Mirabegron CHEMBL2095212 1300786 DB08895 Tofacitinib BE0004145 JAK1 P23458 JAK1_HUMAN inhibitor 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational N-acylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; N-acylpiperidines "Janus Kinases, antagonists & inhibitors; Myelosuppressive Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase Inhibitors; Protein Kinase Inhibitors; Biologics for Rheumatoid Arthritis Treatment; Cytochrome P-450 Substrates; Disease-modifying Antirheumatic Agents; Janus Kinase Inhibitor; Cytochrome P-450 CYP2C19 Substrates; Selective Immunosuppressants; Janus Kinase 3, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Bradycardia-Causing Agents; Antirheumatic Agents" C[C@@H]1CCN(C[C@@H]1N(C)C1=NC=NC2=C1C=CN2)C(=O)CC#N 22274 347827811 D09970 Tofacitinib CHEMBL221959 1357536 DB08895 Tofacitinib BE0002408 JAK2 O60674 JAK2_HUMAN antagonist 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational N-acylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; N-acylpiperidines "Janus Kinases, antagonists & inhibitors; Myelosuppressive Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase Inhibitors; Protein Kinase Inhibitors; Biologics for Rheumatoid Arthritis Treatment; Cytochrome P-450 Substrates; Disease-modifying Antirheumatic Agents; Janus Kinase Inhibitor; Cytochrome P-450 CYP2C19 Substrates; Selective Immunosuppressants; Janus Kinase 3, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Bradycardia-Causing Agents; Antirheumatic Agents" C[C@@H]1CCN(C[C@@H]1N(C)C1=NC=NC2=C1C=CN2)C(=O)CC#N 22274 347827811 D09970 Tofacitinib CHEMBL221959 1357536 DB08895 Tofacitinib BE0003493 JAK3 P52333 JAK3_HUMAN inhibitor 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational N-acylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; N-acylpiperidines "Janus Kinases, antagonists & inhibitors; Myelosuppressive Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase Inhibitors; Protein Kinase Inhibitors; Biologics for Rheumatoid Arthritis Treatment; Cytochrome P-450 Substrates; Disease-modifying Antirheumatic Agents; Janus Kinase Inhibitor; Cytochrome P-450 CYP2C19 Substrates; Selective Immunosuppressants; Janus Kinase 3, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Bradycardia-Causing Agents; Antirheumatic Agents" C[C@@H]1CCN(C[C@@H]1N(C)C1=NC=NC2=C1C=CN2)C(=O)CC#N 22274 347827811 D09970 Tofacitinib CHEMBL221959 1357536 DB08895 Tofacitinib BE0004146 TYK2 P29597 TYK2_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational N-acylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; N-acylpiperidines "Janus Kinases, antagonists & inhibitors; Myelosuppressive Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase Inhibitors; Protein Kinase Inhibitors; Biologics for Rheumatoid Arthritis Treatment; Cytochrome P-450 Substrates; Disease-modifying Antirheumatic Agents; Janus Kinase Inhibitor; Cytochrome P-450 CYP2C19 Substrates; Selective Immunosuppressants; Janus Kinase 3, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Bradycardia-Causing Agents; Antirheumatic Agents" C[C@@H]1CCN(C[C@@H]1N(C)C1=NC=NC2=C1C=CN2)C(=O)CC#N 22274 347827811 D09970 Tofacitinib CHEMBL221959 1357536 DB08896 Regorafenib BE0000029 FLT1 P17948 VGFR1_HUMAN inhibitor Approved Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1 22042 175427139 D10138 Regorafenib CHEMBL1946170 1312397 DB08896 Regorafenib BE0000453 KIT P10721 KIT_HUMAN inhibitor Approved Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1 22042 175427139 D10138 Regorafenib CHEMBL1946170 1312397 DB08896 Regorafenib BE0002131 FGFR1 P11362 FGFR1_HUMAN inhibitor Approved Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1 22042 175427139 D10138 Regorafenib CHEMBL1946170 1312397 DB08896 Regorafenib BE0000748 FGFR2 P21802 FGFR2_HUMAN inhibitor Approved Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1 22042 175427139 D10138 Regorafenib CHEMBL1946170 1312397 DB08896 Regorafenib BE0004741 DDR2 Q16832 DDR2_HUMAN inhibitor Approved Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1 22042 175427139 D10138 Regorafenib CHEMBL1946170 1312397 DB08896 Regorafenib BE0001039 NTRK1 P04629 NTRK1_HUMAN inhibitor Approved Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1 22042 175427139 D10138 Regorafenib CHEMBL1946170 1312397 DB08896 Regorafenib BE0000036 RAF1 P04049 RAF1_HUMAN inhibitor Approved Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1 22042 175427139 D10138 Regorafenib CHEMBL1946170 1312397 DB08896 Regorafenib BE0000634 BRAF P15056 BRAF_HUMAN inhibitor Approved Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1 22042 175427139 D10138 Regorafenib CHEMBL1946170 1312397 DB08896 Regorafenib BE0000014 ABL1 P00519 ABL1_HUMAN inhibitor Approved Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1 22042 175427139 D10138 Regorafenib CHEMBL1946170 1312397 DB08896 Regorafenib BE0002411 RET P07949 RET_HUMAN inhibitor Approved Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1 22042 175427139 D10138 Regorafenib CHEMBL1946170 1312397 DB08897 Aclidinium BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist Approved Quinuclidines Organic compounds; Organoheterocyclic compounds; Quinuclidines "Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Cholinesterase substrates; Agents to Treat Airway Disease; Adrenergics, Inhalants; Alkaloids; Drugs for Obstructive Airway Diseases; Agents producing tachycardia; Drugs that are Mainly Renally Excreted; Azabicyclo Compounds; Antimuscarinics Antispasmodics" OC(C(=O)O[C@H]1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)(C1=CC=CS1)C1=CC=CS1 22129 175427140 D08837 Aclidinium_bromide CHEMBL1194325 1303098 DB08897 Aclidinium BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist Approved Quinuclidines Organic compounds; Organoheterocyclic compounds; Quinuclidines "Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Cholinesterase substrates; Agents to Treat Airway Disease; Adrenergics, Inhalants; Alkaloids; Drugs for Obstructive Airway Diseases; Agents producing tachycardia; Drugs that are Mainly Renally Excreted; Azabicyclo Compounds; Antimuscarinics Antispasmodics" OC(C(=O)O[C@H]1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)(C1=CC=CS1)C1=CC=CS1 22129 175427140 D08837 Aclidinium_bromide CHEMBL1194325 1303098 DB08897 Aclidinium BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist Approved Quinuclidines Organic compounds; Organoheterocyclic compounds; Quinuclidines "Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Cholinesterase substrates; Agents to Treat Airway Disease; Adrenergics, Inhalants; Alkaloids; Drugs for Obstructive Airway Diseases; Agents producing tachycardia; Drugs that are Mainly Renally Excreted; Azabicyclo Compounds; Antimuscarinics Antispasmodics" OC(C(=O)O[C@H]1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)(C1=CC=CS1)C1=CC=CS1 22129 175427140 D08837 Aclidinium_bromide CHEMBL1194325 1303098 DB08899 Enzalutamide BE0000132 AR P10275 ANDR_HUMAN inhibitor Approved Phenylimidazolidines Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Antiandrogens, non-steroidal; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inducers (strong); Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2C9 Inducers (moderate); Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP3A5 Inducers (strong); Cytochrome P-450 Substrates; Androgen Receptor Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Imidazoles; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Antiandrogens; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C19 Inducers (moderate); Androgen Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Hydantoins; Cytochrome P-450 CYP2C19 Inducers; Endocrine Therapy; Cytochrome P-450 CYP2C9 Substrates; Imidazolidines; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Hormone Antagonists and Related Agents" CNC(=O)C1=C(F)C=C(C=C1)N1C(=S)N(C(=O)C1(C)C)C1=CC=C(C#N)C(=C1)C(F)(F)F 22083 175427141 D10218 Enzalutamide CHEMBL1082407 1307298 DB08901 Ponatinib BE0000014 ABL1 P00519 ABL1_HUMAN inhibitor 23409026 "Iqbal Z, Aleem A, Iqbal M, Naqvi MI, Gill A, Taj AS, Qayyum A, ur-Rehman N, Khalid AM, Shah IH, Khalid M, Haq R, Khan M, Baig SM, Jamil A, Abbas MN, Absar M, Mahmood A, Rasool M, Akhtar T: Sensitive detection of pre-existing BCR-ABL kinase domain mutations in CD34+ cells of newly diagnosed chronic-phase chronic myeloid leukemia patients is associated with imatinib resistance: implications in the post-imatinib era. PLoS One. 2013;8(2):e55717. doi: 10.1371/journal.pone.0055717. Epub 2013 Feb 8." Approved; Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1 Ponatinib Inhibition of BCR-ABL drug_action 22576 175427142 D09950 PA165980594 Ponatinib CHEMBL1171837 1364347 DB08901 Ponatinib BE0004743 BCR P11274 BCR_HUMAN inhibitor 23409026 "Iqbal Z, Aleem A, Iqbal M, Naqvi MI, Gill A, Taj AS, Qayyum A, ur-Rehman N, Khalid AM, Shah IH, Khalid M, Haq R, Khan M, Baig SM, Jamil A, Abbas MN, Absar M, Mahmood A, Rasool M, Akhtar T: Sensitive detection of pre-existing BCR-ABL kinase domain mutations in CD34+ cells of newly diagnosed chronic-phase chronic myeloid leukemia patients is associated with imatinib resistance: implications in the post-imatinib era. PLoS One. 2013;8(2):e55717. doi: 10.1371/journal.pone.0055717. Epub 2013 Feb 8." Approved; Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1 Ponatinib Inhibition of BCR-ABL drug_action 22576 175427142 D09950 PA165980594 Ponatinib CHEMBL1171837 1364347 DB08901 Ponatinib BE0000453 KIT P10721 KIT_HUMAN inhibitor 23539538 "Gleixner KV, Peter B, Blatt K, Suppan V, Reiter A, Radia D, Hadzijusufovic E, Valent P: Synergistic growth-inhibitory effects of ponatinib and midostaurin (PKC412) on neoplastic mast cells carrying KIT D816V. Haematologica. 2013 Sep;98(9):1450-7. doi: 10.3324/haematol.2012.079202. Epub 2013 Mar 28." Approved; Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1 Ponatinib Inhibition of BCR-ABL drug_action 22576 175427142 D09950 PA165980594 Ponatinib CHEMBL1171837 1364347 DB08901 Ponatinib BE0002411 RET P07949 RET_HUMAN inhibitor 23526464 "De Falco V, Buonocore P, Muthu M, Torregrossa L, Basolo F, Billaud M, Gozgit JM, Carlomagno F, Santoro M: Ponatinib (AP24534) is a novel potent inhibitor of oncogenic RET mutants associated with thyroid cancer. J Clin Endocrinol Metab. 2013 May;98(5):E811-9. doi: 10.1210/jc.2012-2672. Epub 2013 Mar 22." Approved; Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1 Ponatinib Inhibition of BCR-ABL drug_action 22576 175427142 D09950 PA165980594 Ponatinib CHEMBL1171837 1364347 DB08901 Ponatinib BE0002131 FGFR1 P11362 FGFR1_HUMAN inhibitor 23563700; 23468082 "Ren M, Hong M, Liu G, Wang H, Patel V, Biddinger P, Silva J, Cowell J, Hao Z: Novel FGFR inhibitor ponatinib suppresses the growth of non-small cell lung cancer cells overexpressing FGFR1. Oncol Rep. 2013 Jun;29(6):2181-90. doi: 10.3892/or.2013.2386. Epub 2013 Apr 4.@@Gozgit JM, Squillace RM, Wongchenko MJ, Miller D, Wardwell S, Mohemmad Q, Narasimhan NI, Wang F, Clackson T, Rivera VM: Combined targeting of FGFR2 and mTOR by ponatinib and ridaforolimus results in synergistic antitumor activity in FGFR2 mutant endometrial cancer models. Cancer Chemother Pharmacol. 2013 May;71(5):1315-23. doi: 10.1007/s00280-013-2131-z. Epub 2013 Mar 7." Approved; Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1 Ponatinib Inhibition of BCR-ABL drug_action 22576 175427142 D09950 PA165980594 Ponatinib CHEMBL1171837 1364347 DB08901 Ponatinib BE0000748 FGFR2 P21802 FGFR2_HUMAN inhibitor 23468082 "Gozgit JM, Squillace RM, Wongchenko MJ, Miller D, Wardwell S, Mohemmad Q, Narasimhan NI, Wang F, Clackson T, Rivera VM: Combined targeting of FGFR2 and mTOR by ponatinib and ridaforolimus results in synergistic antitumor activity in FGFR2 mutant endometrial cancer models. Cancer Chemother Pharmacol. 2013 May;71(5):1315-23. doi: 10.1007/s00280-013-2131-z. Epub 2013 Mar 7." Approved; Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1 Ponatinib Inhibition of BCR-ABL drug_action 22576 175427142 D09950 PA165980594 Ponatinib CHEMBL1171837 1364347 DB08901 Ponatinib BE0001203 FGFR4 P22455 FGFR4_HUMAN inhibitor 23468082 "Gozgit JM, Squillace RM, Wongchenko MJ, Miller D, Wardwell S, Mohemmad Q, Narasimhan NI, Wang F, Clackson T, Rivera VM: Combined targeting of FGFR2 and mTOR by ponatinib and ridaforolimus results in synergistic antitumor activity in FGFR2 mutant endometrial cancer models. Cancer Chemother Pharmacol. 2013 May;71(5):1315-23. doi: 10.1007/s00280-013-2131-z. Epub 2013 Mar 7." Approved; Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1 Ponatinib Inhibition of BCR-ABL drug_action 22576 175427142 D09950 PA165980594 Ponatinib CHEMBL1171837 1364347 DB08901 Ponatinib BE0000842 LCK P06239 LCK_HUMAN inhibitor 23190395 "Gushwa NN, Kang S, Chen J, Taunton J: Selective targeting of distinct active site nucleophiles by irreversible SRC-family kinase inhibitors. J Am Chem Soc. 2012 Dec 19;134(50):20214-7. doi: 10.1021/ja310659j. Epub 2012 Dec 4." Approved; Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1 Ponatinib Inhibition of BCR-ABL drug_action 22576 175427142 D09950 PA165980594 Ponatinib CHEMBL1171837 1364347 DB08901 Ponatinib BE0000838 SRC P12931 SRC_HUMAN inhibitor 19878872 "O'Hare T, Shakespeare WC, Zhu X, Eide CA, Rivera VM, Wang F, Adrian LT, Zhou T, Huang WS, Xu Q, Metcalf CA 3rd, Tyner JW, Loriaux MM, Corbin AS, Wardwell S, Ning Y, Keats JA, Wang Y, Sundaramoorthi R, Thomas M, Zhou D, Snodgrass J, Commodore L, Sawyer TK, Dalgarno DC, Deininger MW, Druker BJ, Clackson T: AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance. Cancer Cell. 2009 Nov 6;16(5):401-12. doi: 10.1016/j.ccr.2009.09.028." Approved; Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1 Ponatinib Inhibition of BCR-ABL drug_action 22576 175427142 D09950 PA165980594 Ponatinib CHEMBL1171837 1364347 DB08901 Ponatinib BE0004315 LYN P07948 LYN_HUMAN inhibitor 19878872 "O'Hare T, Shakespeare WC, Zhu X, Eide CA, Rivera VM, Wang F, Adrian LT, Zhou T, Huang WS, Xu Q, Metcalf CA 3rd, Tyner JW, Loriaux MM, Corbin AS, Wardwell S, Ning Y, Keats JA, Wang Y, Sundaramoorthi R, Thomas M, Zhou D, Snodgrass J, Commodore L, Sawyer TK, Dalgarno DC, Deininger MW, Druker BJ, Clackson T: AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance. Cancer Cell. 2009 Nov 6;16(5):401-12. doi: 10.1016/j.ccr.2009.09.028." Approved; Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1 Ponatinib Inhibition of BCR-ABL drug_action 22576 175427142 D09950 PA165980594 Ponatinib CHEMBL1171837 1364347 DB08906 Fluticasone furoate BE0000794 NR3C1 P04150 GCR_HUMAN agonist Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Cytochrome P-450 CYP3A5 Inhibitors; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Cytochrome P-450 CYP2C8 Inhibitors (strong) [H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C 20155 175427145 D06315 Fluticasone_furoate CHEMBL1676 705022 DB08906 Fluticasone furoate BE0000557 PGR P06401 PRGR_HUMAN agonist 16507850 "Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Cytochrome P-450 CYP3A5 Inhibitors; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Cytochrome P-450 CYP2C8 Inhibitors (strong) [H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C 20155 175427145 D06315 Fluticasone_furoate CHEMBL1676 705022 DB08906 Fluticasone furoate BE0000668 NR3C2 P08235 MCR_HUMAN antagonist 16507850 "Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Cytochrome P-450 CYP3A5 Inhibitors; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Cytochrome P-450 CYP2C8 Inhibitors (strong) [H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C 20155 175427145 D06315 Fluticasone_furoate CHEMBL1676 705022 DB08908 Dimethyl fumarate BE0004756 KEAP1 Q14145 KEAP1_HUMAN binder 23056222 "Oh CJ, Kim JY, Choi YK, Kim HJ, Jeong JY, Bae KH, Park KG, Lee IK: Dimethylfumarate attenuates renal fibrosis via NF-E2-related factor 2-mediated inhibition of transforming growth factor-beta/Smad signaling. PLoS One. 2012;7(10):e45870. doi: 10.1371/journal.pone.0045870. Epub 2012 Oct 8." Approved; Investigational Fatty acid esters Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters "Immunomodulatory Agents; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Dicarboxylic Acids; Immunologic Factors; Anti-Inflammatory Agents; Fumarates; Acids, Acyclic; Dermatologicals; Cytoprotective Agent; Radiation-Sensitizing Agents; Miscellaneous Central Nervous System Agents" [H]\C(=C(\[H])C(=O)OC)C(=O)OC 22048 347827812 D03846 PA166152838 Dimethyl_fumarate CHEMBL2107333 1373478 DB08908 Dimethyl fumarate BE0005551 RELA Q04206 TF65_HUMAN inhibitor 26683377 "Kastrati I, Siklos MI, Calderon-Gierszal EL, El-Shennawy L, Georgieva G, Thayer EN, Thatcher GR, Frasor J: Dimethyl Fumarate Inhibits the Nuclear Factor kappaB Pathway in Breast Cancer Cells by Covalent Modification of p65 Protein. J Biol Chem. 2016 Feb 12;291(7):3639-47. doi: 10.1074/jbc.M115.679704. Epub 2015 Dec 18." Approved; Investigational Fatty acid esters Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters "Immunomodulatory Agents; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Dicarboxylic Acids; Immunologic Factors; Anti-Inflammatory Agents; Fumarates; Acids, Acyclic; Dermatologicals; Cytoprotective Agent; Radiation-Sensitizing Agents; Miscellaneous Central Nervous System Agents" [H]\C(=C(\[H])C(=O)OC)C(=O)OC 22048 347827812 D03846 PA166152838 Dimethyl_fumarate CHEMBL2107333 1373478 DB08910 Pomalidomide BE0004755 CRBN Q96SW2 CRBN_HUMAN inhibitor 23730498; 20223979; 22552008 "McCurdy AR, Lacy MQ: Pomalidomide and its clinical potential for relapsed or refractory multiple myeloma: an update for the hematologist. Ther Adv Hematol. 2013 Jun;4(3):211-6. doi: 10.1177/2040620713480155.@@Ito T, Ando H, Suzuki T, Ogura T, Hotta K, Imamura Y, Yamaguchi Y, Handa H: Identification of a primary target of thalidomide teratogenicity. Science. 2010 Mar 12;327(5971):1345-50. doi: 10.1126/science.1177319.@@Lopez-Girona A, Mendy D, Ito T, Miller K, Gandhi AK, Kang J, Karasawa S, Carmel G, Jackson P, Abbasian M, Mahmoudi A, Cathers B, Rychak E, Gaidarova S, Chen R, Schafer PH, Handa H, Daniel TO, Evans JF, Chopra R: Cereblon is a direct protein target for immunomodulatory and antiproliferative activities of lenalidomide and pomalidomide. Leukemia. 2012 Nov;26(11):2326-35. doi: 10.1038/leu.2012.119. Epub 2012 May 3." Approved Phthalimides Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindolines "Myelosuppressive Agents; Cancer immunotherapy; Growth Substances; Angiogenesis Inhibitors; Cytochrome P-450 CYP3A Substrates; Tumor Necrosis Factor Blockers; Piperidones; Immunotherapy; Central Nervous System Depressants; Cytochrome P-450 Substrates; Angiogenesis Modulating Agents; Immunologic Factors; Phthalic Acids; Thalidomide Analog; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Phthalimides; P-glycoprotein substrates; Antineoplastic Agents; Growth Inhibitors; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Piperidines; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Isoindoles; Narrow Therapeutic Index Drugs; Imides; Cytochrome P-450 CYP1A2 Substrates" NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 22238 175427148 D08976 Pomalidomide CHEMBL43452 1369713 DB08911 Trametinib BE0000870 MAP2K1 Q02750 MP2K1_HUMAN inhibitor 23432625; 23971497 "Salama AK, Kim KB: Trametinib (GSK1120212) in the treatment of melanoma. Expert Opin Pharmacother. 2013 Apr;14(5):619-27. doi: 10.1517/14656566.2013.770475. Epub 2013 Feb 23.@@Ho MY, Morris MJ, Pirhalla JL, Bauman JW, Pendry CB, Orford KW, Morrison RA, Cox DS: Trametinib, a first-in-class oral MEK inhibitor mass balance study with limited enrollment of two male subjects with advanced cancers. Xenobiotica. 2014 Apr;44(4):352-68. doi: 10.3109/00498254.2013.831143. Epub 2013 Aug 23." Approved Pyridopyrimidines Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines "Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; MAP Kinase Kinase 2, antagonists & inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Kinase Inhibitor; Mitogen-activated protein kinase (MEK) inhibitors; Cytochrome P-450 CYP3A4 Substrates; MAP Kinase Kinase 1, antagonists & inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers; Pyrimidines; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP2C8 Inhibitors (strong)" CN1C(=O)C(C)=C2N(C(=O)N(C3CC3)C(=O)C2=C1NC1=CC=C(I)C=C1F)C1=CC(NC(C)=O)=CC=C1 22128 175427149 D10175 PA166115364 Trametinib CHEMBL2103875 1425099 DB08911 Trametinib BE0004744 MAP2K2 P36507 MP2K2_HUMAN inhibitor 23432625 "Salama AK, Kim KB: Trametinib (GSK1120212) in the treatment of melanoma. Expert Opin Pharmacother. 2013 Apr;14(5):619-27. doi: 10.1517/14656566.2013.770475. Epub 2013 Feb 23." Approved Pyridopyrimidines Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines "Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; MAP Kinase Kinase 2, antagonists & inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Kinase Inhibitor; Mitogen-activated protein kinase (MEK) inhibitors; Cytochrome P-450 CYP3A4 Substrates; MAP Kinase Kinase 1, antagonists & inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers; Pyrimidines; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP2C8 Inhibitors (strong)" CN1C(=O)C(C)=C2N(C(=O)N(C3CC3)C(=O)C2=C1NC1=CC=C(I)C=C1F)C1=CC(NC(C)=O)=CC=C1 22128 175427149 D10175 PA166115364 Trametinib CHEMBL2103875 1425099 DB08912 Dabrafenib BE0000634 BRAF P15056 BRAF_HUMAN inhibitor 23621583 "Gibney GT, Zager JS: Clinical development of dabrafenib in BRAF mutant melanoma and other malignancies. Expert Opin Drug Metab Toxicol. 2013 Jul;9(7):893-9. doi: 10.1517/17425255.2013.794220. Epub 2013 Apr 29." Approved; Investigational Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Amines; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; OATP1B1/SLCO1B1 Substrates; Hydroxylamines; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Kinase Inhibitor; OATP1B3 inhibitors; Cytochrome P-450 CYP2C8 Inducers (weak); Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Proto-Oncogene Proteins B-raf, antagonists & inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strong); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors (strong)" CC(C)(C)C1=NC(=C(S1)C1=NC(N)=NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1 22126 175427150 D10064 Dabrafenib CHEMBL2028663 1424911 DB08912 Dabrafenib BE0000036 RAF1 P04049 RAF1_HUMAN inhibitor Approved; Investigational Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Amines; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; OATP1B1/SLCO1B1 Substrates; Hydroxylamines; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Kinase Inhibitor; OATP1B3 inhibitors; Cytochrome P-450 CYP2C8 Inducers (weak); Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Proto-Oncogene Proteins B-raf, antagonists & inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strong); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors (strong)" CC(C)(C)C1=NC(=C(S1)C1=NC(N)=NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1 22126 175427150 D10064 Dabrafenib CHEMBL2028663 1424911 DB08912 Dabrafenib BE0004758 NEK11 Q8NG66 NEK11_HUMAN inhibitor Approved; Investigational Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Amines; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; OATP1B1/SLCO1B1 Substrates; Hydroxylamines; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Kinase Inhibitor; OATP1B3 inhibitors; Cytochrome P-450 CYP2C8 Inducers (weak); Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Proto-Oncogene Proteins B-raf, antagonists & inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strong); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors (strong)" CC(C)(C)C1=NC(=C(S1)C1=NC(N)=NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1 22126 175427150 D10064 Dabrafenib CHEMBL2028663 1424911 DB08912 Dabrafenib BE0004759 LIMK1 P53667 LIMK1_HUMAN inhibitor Approved; Investigational Sulfanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Amines; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; OATP1B1/SLCO1B1 Substrates; Hydroxylamines; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Kinase Inhibitor; OATP1B3 inhibitors; Cytochrome P-450 CYP2C8 Inducers (weak); Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Proto-Oncogene Proteins B-raf, antagonists & inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strong); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors (strong)" CC(C)(C)C1=NC(=C(S1)C1=NC(N)=NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1 22126 175427150 D10064 Dabrafenib CHEMBL2028663 1424911 DB08915 Aleglitazar BE0000071 PPARA Q07869 PPARA_HUMAN agonist 20653327; 10592235 "Cavender MA, Lincoff AM: Therapeutic potential of aleglitazar, a new dual PPAR-alpha/gamma agonist: implications for cardiovascular disease in patients with diabetes mellitus. Am J Cardiovasc Drugs. 2010;10(4):209-16. doi: 10.2165/11539500-000000000-00000.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational "Phenyl-1,3-oxazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles Sulfur Compounds CO[C@@H](CC1=CC=C(OCCC2=C(C)OC(=N2)C2=CC=CC=C2)C2=C1SC=C2)C(O)=O 175427152 D08845 Aleglitazar CHEMBL519504 DB08915 Aleglitazar BE0000215 PPARG P37231 PPARG_HUMAN agonist 20653327; 10592235 "Cavender MA, Lincoff AM: Therapeutic potential of aleglitazar, a new dual PPAR-alpha/gamma agonist: implications for cardiovascular disease in patients with diabetes mellitus. Am J Cardiovasc Drugs. 2010;10(4):209-16. doi: 10.2165/11539500-000000000-00000.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational "Phenyl-1,3-oxazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles Sulfur Compounds CO[C@@H](CC1=CC=C(OCCC2=C(C)OC(=N2)C2=CC=CC=C2)C2=C1SC=C2)C(O)=O 175427152 D08845 Aleglitazar CHEMBL519504 DB08915 Aleglitazar BE0003728 NCOA1 Q15788 NCOA1_HUMAN 10592235 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational "Phenyl-1,3-oxazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles Sulfur Compounds CO[C@@H](CC1=CC=C(OCCC2=C(C)OC(=N2)C2=CC=CC=C2)C2=C1SC=C2)C(O)=O 175427152 D08845 Aleglitazar CHEMBL519504 DB08916 Afatinib BE0000767 EGFR P00533 EGFR_HUMAN inhibitor 31558282; 34104899 "Masood A, Kancha RK, Subramanian J: Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors in non-small cell lung cancer harboring uncommon EGFR mutations: Focus on afatinib. Semin Oncol. 2019 Jun;46(3):271-283. doi: 10.1053/j.seminoncol.2019.08.004. Epub 2019 Sep 11.@@Vasconcelos PENS, Gergis C, Viray H, Varkaris A, Fujii M, Rangachari D, VanderLaan PA, Kobayashi IS, Kobayashi SS, Costa DB: EGFR-A763_Y764insFQEA Is a Unique Exon 20 Insertion Mutation That Displays Sensitivity to Approved and In-Development Lung Cancer EGFR Tyrosine Kinase Inhibitors. JTO Clin Res Rep. 2020 Sep;1(3). doi: 10.1016/j.jtocrr.2020.100051. Epub 2020 May 13." Approved Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Enzyme Inhibitors; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Tyrosine Kinase Inhibitors; Amides; Quinazolines; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors" CN(C)C\C=C\C(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1 22160 175427153 D09724 PA165981154 Afatinib CHEMBL1173655 1430438 DB08916 Afatinib BE0000511 ERBB2 P04626 ERBB2_HUMAN inhibitor Approved Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Enzyme Inhibitors; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Tyrosine Kinase Inhibitors; Amides; Quinazolines; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors" CN(C)C\C=C\C(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1 22160 175427153 D09724 PA165981154 Afatinib CHEMBL1173655 1430438 DB08916 Afatinib BE0004772 ERBB4 Q15303 ERBB4_HUMAN inhibitor Approved Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Enzyme Inhibitors; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Tyrosine Kinase Inhibitors; Amides; Quinazolines; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors" CN(C)C\C=C\C(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1 22160 175427153 D09724 PA165981154 Afatinib CHEMBL1173655 1430438 DB08922 Perospirone BE0000442 HRH1 P35367 HRH1_HUMAN inverse agonist 23812802 "Kishi T, Iwata N: Efficacy and tolerability of perospirone in schizophrenia: a systematic review and meta-analysis of randomized controlled trials. CNS Drugs. 2013 Sep;27(9):731-41. doi: 10.1007/s40263-013-0085-7." Experimental N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Antipsychotic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 Substrates; Tranquilizing Agents; Cytochrome P-450 CYP3A Substrates; Sulfur Compounds; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates" [H][C@@]12CCCC[C@]1([H])C(=O)N(CCCCN1CCN(CC1)C1=NSC3=CC=CC=C13)C2=O 310264903 Perospirone CHEMBL1472975 DB08922 Perospirone BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist 23812802 "Kishi T, Iwata N: Efficacy and tolerability of perospirone in schizophrenia: a systematic review and meta-analysis of randomized controlled trials. CNS Drugs. 2013 Sep;27(9):731-41. doi: 10.1007/s40263-013-0085-7." Experimental N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Antipsychotic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 Substrates; Tranquilizing Agents; Cytochrome P-450 CYP3A Substrates; Sulfur Compounds; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates" [H][C@@]12CCCC[C@]1([H])C(=O)N(CCCCN1CCN(CC1)C1=NSC3=CC=CC=C13)C2=O 310264903 Perospirone CHEMBL1472975 DB08931 Riociguat BE0003578 GUCY1A2 P33402 GCYA2_HUMAN agonist 22044316; 26219978 "Soeiro-Pereira PV, Falcai A, Kubo CA, Oliveira-Junior EB, Marques OC, Antunes E, Condino-Neto A: BAY 41-2272, a soluble guanylate cyclase agonist, activates human mononuclear phagocytes. Br J Pharmacol. 2012 Jul;166(5):1617-30. doi: 10.1111/j.1476-5381.2011.01764.x.@@Humbert M, Ghofrani HA: The molecular targets of approved treatments for pulmonary arterial hypertension. Thorax. 2016 Jan;71(1):73-83. doi: 10.1136/thoraxjnl-2015-207170. Epub 2015 Jul 28." Approved Pyrazolopyridines Organic compounds; Organoheterocyclic compounds; Pyrazolopyridines BCRP/ABCG2 Substrates; Hypotensive Agents; Antihypertensives for Pulmonary Arterial Hypertension; Cytochrome P-450 Substrates; Soluble Guanylate Cyclase Stimulator; Vasodilating Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Guanylate Cyclase; Guanylate Cyclase Stimulators; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Enzyme Activators; Cytochrome P-450 CYP2C8 Substrates COC(=O)N(C)C1=C(N)N=C(N=C1N)C1=NN(CC2=C(F)C=CC=C2)C2=C1C=CC=N2 22148 310264904 D09572 Riociguat CHEMBL2107834 1439816 DB08932 Macitentan BE0000043 EDNRB P24530 EDNRB_HUMAN antagonist 22862294; 29719121; 29540357 "Bolli MH, Boss C, Binkert C, Buchmann S, Bur D, Hess P, Iglarz M, Meyer S, Rein J, Rey M, Treiber A, Clozel M, Fischli W, Weller T: The discovery of N-[5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-p ropylsulfamide (Macitentan), an orally active, potent dual endothelin receptor antagonist. J Med Chem. 2012 Sep 13;55(17):7849-61. doi: 10.1021/jm3009103. Epub 2012 Aug 16.@@Bedan M, Grimm D, Wehland M, Simonsen U, Infanger M, Kruger M: A Focus on Macitentan in the Treatment of Pulmonary Arterial Hypertension. Basic Clin Pharmacol Toxicol. 2018 Aug;123(2):103-113. doi: 10.1111/bcpt.13033. Epub 2018 Jun 5.@@Thenappan T, Ormiston ML, Ryan JJ, Archer SL: Pulmonary arterial hypertension: pathogenesis and clinical management. BMJ. 2018 Mar 14;360:j5492. doi: 10.1136/bmj.j5492." Approved Halopyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Endothelin A Receptor Antagonists; Antihypertensives for Pulmonary Arterial Hypertension; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Endothelin B Receptor Antagonists; Sulfones; Vasodilating Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Endothelin Receptor Antagonists; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C19 Substrates CCCNS(=O)(=O)NC1=C(C(OCCOC2=NC=C(Br)C=N2)=NC=N1)C1=CC=C(Br)C=C1 22162 175427162 D10135 Macitentan CHEMBL2103873 1442132 DB08936 Chlorcyclizine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 21058326 "Enright BP, Gu YZ, Snyder RD, Dugyala RR, Obert LA, Treinen KA, McIntyre BS, Veneziale RW: Effects of the histamine H1 antagonist chlorcyclizine on rat fetal palate development. Birth Defects Res B Dev Reprod Toxicol. 2010 Dec;89(6):474-84. doi: 10.1002/bdrb.20261." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Potential QTc-Prolonging Agents; Piperazine Derivatives; QTc Prolonging Agents; Histamine Antagonists; Histamine H1 Antagonists; Antihistamines for Systemic Use CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1 Chlorcyclizine H1-Antihistamine Action drug_action 175427165 Chlorcyclizine CHEMBL22150 2354 DB08951 Indoprofen BE0000088 PKM P14618 KPYM_HUMAN inhibitor 26951145 "Ye X, Sun Y, Xu Y, Chen Z, Lu S: Integrated In Silico-In Vitro Discovery of Lung Cancer-related Tumor Pyruvate Kinase M2 (PKM2) Inhibitors. Med Chem. 2016;12(7):613-620. doi: 10.2174/1573406412666160307151535." Withdrawn Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids "Non COX-2 selective NSAIDS; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Phenylpropionates; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Propionates; Cyclooxygenase Inhibitors; Isoindoles; Antirheumatic Agents" CC(C(O)=O)C1=CC=C(C=C1)N1CC2=CC=CC=C2C1=O 310264916 D04530 Indoprofen CHEMBL15870 DB08954 Ifenprodil BE0000417 GRIN2B Q13224 NMDE2_HUMAN antagonist 3365283; 27135925; 25462287; 7901753 "Seppala T, Stromberg C, Mattila MJ: Effects of the novel 5-hydroxytryptamine reuptake inhibitor indalpine and ethanol on psychomotor performance. Arzneimittelforschung. 1988 Jan;38(1):98-102.@@Tajima N, Karakas E, Grant T, Simorowski N, Diaz-Avalos R, Grigorieff N, Furukawa H: Activation of NMDA receptors and the mechanism of inhibition by ifenprodil. Nature. 2016 Jun 2;534(7605):63-8. doi: 10.1038/nature17679. Epub 2016 May 2.@@Zhu S, Paoletti P: Allosteric modulators of NMDA receptors: multiple sites and mechanisms. Curr Opin Pharmacol. 2015 Feb;20:14-23. doi: 10.1016/j.coph.2014.10.009. Epub 2014 Nov 12.@@Williams K: Ifenprodil discriminates subtypes of the N-methyl-D-aspartate receptor: selectivity and mechanisms at recombinant heteromeric receptors. Mol Pharmacol. 1993 Oct;44(4):851-9." Investigational; Withdrawn 4-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines Excitatory Amino Acid Agents; Peripheral Vasodilators; Cardiovascular Agents; Anti-Parkinson Drugs; Central Nervous System Depressants; Experimental Unapproved Treatments for COVID-19; Excitatory Amino Acid Antagonists; Adrenergic Antagonists; Vasodilating Agents; Neurotransmitter Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents; Anticonvulsants; NMDA Receptor Antagonists CC(C(O)C1=CC=C(O)C=C1)N1CCC(CC2=CC=CC=C2)CC1 310264919 D08064 Ifenprodil CHEMBL305187 27403 DB08954 Ifenprodil BE0000365 GRIN1 Q05586 NMDZ1_HUMAN antagonist 3365283; 27135925; 25462287; 7901753 "Seppala T, Stromberg C, Mattila MJ: Effects of the novel 5-hydroxytryptamine reuptake inhibitor indalpine and ethanol on psychomotor performance. Arzneimittelforschung. 1988 Jan;38(1):98-102.@@Tajima N, Karakas E, Grant T, Simorowski N, Diaz-Avalos R, Grigorieff N, Furukawa H: Activation of NMDA receptors and the mechanism of inhibition by ifenprodil. Nature. 2016 Jun 2;534(7605):63-8. doi: 10.1038/nature17679. Epub 2016 May 2.@@Zhu S, Paoletti P: Allosteric modulators of NMDA receptors: multiple sites and mechanisms. Curr Opin Pharmacol. 2015 Feb;20:14-23. doi: 10.1016/j.coph.2014.10.009. Epub 2014 Nov 12.@@Williams K: Ifenprodil discriminates subtypes of the N-methyl-D-aspartate receptor: selectivity and mechanisms at recombinant heteromeric receptors. Mol Pharmacol. 1993 Oct;44(4):851-9." Investigational; Withdrawn 4-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines Excitatory Amino Acid Agents; Peripheral Vasodilators; Cardiovascular Agents; Anti-Parkinson Drugs; Central Nervous System Depressants; Experimental Unapproved Treatments for COVID-19; Excitatory Amino Acid Antagonists; Adrenergic Antagonists; Vasodilating Agents; Neurotransmitter Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents; Anticonvulsants; NMDA Receptor Antagonists CC(C(O)C1=CC=C(O)C=C1)N1CCC(CC2=CC=CC=C2)CC1 310264919 D08064 Ifenprodil CHEMBL305187 27403 DB08954 Ifenprodil BE0001028 KCNJ3 P48549 KCNJ3_HUMAN antagonist 16123769 "Kobayashi T, Washiyama K, Ikeda K: Inhibition of G protein-activated inwardly rectifying K+ channels by ifenprodil. Neuropsychopharmacology. 2006 Mar;31(3):516-24. doi: 10.1038/sj.npp.1300844." Investigational; Withdrawn 4-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines Excitatory Amino Acid Agents; Peripheral Vasodilators; Cardiovascular Agents; Anti-Parkinson Drugs; Central Nervous System Depressants; Experimental Unapproved Treatments for COVID-19; Excitatory Amino Acid Antagonists; Adrenergic Antagonists; Vasodilating Agents; Neurotransmitter Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents; Anticonvulsants; NMDA Receptor Antagonists CC(C(O)C1=CC=C(O)C=C1)N1CCC(CC2=CC=CC=C2)CC1 310264919 D08064 Ifenprodil CHEMBL305187 27403 DB08954 Ifenprodil BE0001030 KCNJ6 P48051 KCNJ6_HUMAN antagonist 16123769 "Kobayashi T, Washiyama K, Ikeda K: Inhibition of G protein-activated inwardly rectifying K+ channels by ifenprodil. Neuropsychopharmacology. 2006 Mar;31(3):516-24. doi: 10.1038/sj.npp.1300844." Investigational; Withdrawn 4-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines Excitatory Amino Acid Agents; Peripheral Vasodilators; Cardiovascular Agents; Anti-Parkinson Drugs; Central Nervous System Depressants; Experimental Unapproved Treatments for COVID-19; Excitatory Amino Acid Antagonists; Adrenergic Antagonists; Vasodilating Agents; Neurotransmitter Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents; Anticonvulsants; NMDA Receptor Antagonists CC(C(O)C1=CC=C(O)C=C1)N1CCC(CC2=CC=CC=C2)CC1 310264919 D08064 Ifenprodil CHEMBL305187 27403 DB08954 Ifenprodil BE0002218 KCNJ5 P48544 KCNJ5_HUMAN antagonist 16123769 "Kobayashi T, Washiyama K, Ikeda K: Inhibition of G protein-activated inwardly rectifying K+ channels by ifenprodil. Neuropsychopharmacology. 2006 Mar;31(3):516-24. doi: 10.1038/sj.npp.1300844." Investigational; Withdrawn 4-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines Excitatory Amino Acid Agents; Peripheral Vasodilators; Cardiovascular Agents; Anti-Parkinson Drugs; Central Nervous System Depressants; Experimental Unapproved Treatments for COVID-19; Excitatory Amino Acid Antagonists; Adrenergic Antagonists; Vasodilating Agents; Neurotransmitter Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents; Anticonvulsants; NMDA Receptor Antagonists CC(C(O)C1=CC=C(O)C=C1)N1CCC(CC2=CC=CC=C2)CC1 310264919 D08064 Ifenprodil CHEMBL305187 27403 DB08964 Gemeprost BE0002375 PTGER3 P43115 PE2R3_HUMAN agonist 7834185; 28439968 "Qian YM, Jones RL, Chan KM, Stock AI, Ho JK: Potent contractile actions of prostanoid EP3-receptor agonists on human isolated pulmonary artery. Br J Pharmacol. 1994 Oct;113(2):369-74.@@Matsuya H, Sekido N, Kida J, Mashimo H, Wakamatsu D, Okada H: Effects of an EP2 and EP3 Receptor Dual Agonist, ONO-8055, on a Radical Hysterectomy-Induced Underactive Bladder Model in Monkeys. Low Urin Tract Symptoms. 2017 Apr 25. doi: 10.1111/luts.12166." Approved; Withdrawn Fatty alcohols Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty alcohols "Reproductive Control Agents; Inflammation Mediators; Fatty Acids, Monounsaturated; Biological Factors; Prostaglandins E; Uterotonic agents; Prostaglandins; Lipids; Autacoids; Abortifacient Agents; Prostaglandins E, Synthetic; Fatty Acids; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Eicosanoids; Fatty Acids, Unsaturated; Abortifacient Agents, Nonsteroidal" CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(=O)OC 310264927 D02073 Gemeprost CHEMBL1908315 12449 DB08964 Gemeprost BE0000368 PTGER2 P43116 PE2R2_HUMAN agonist 28439968 "Matsuya H, Sekido N, Kida J, Mashimo H, Wakamatsu D, Okada H: Effects of an EP2 and EP3 Receptor Dual Agonist, ONO-8055, on a Radical Hysterectomy-Induced Underactive Bladder Model in Monkeys. Low Urin Tract Symptoms. 2017 Apr 25. doi: 10.1111/luts.12166." Approved; Withdrawn Fatty alcohols Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty alcohols "Reproductive Control Agents; Inflammation Mediators; Fatty Acids, Monounsaturated; Biological Factors; Prostaglandins E; Uterotonic agents; Prostaglandins; Lipids; Autacoids; Abortifacient Agents; Prostaglandins E, Synthetic; Fatty Acids; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Eicosanoids; Fatty Acids, Unsaturated; Abortifacient Agents, Nonsteroidal" CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(=O)OC 310264927 D02073 Gemeprost CHEMBL1908315 12449 DB08995 Diosmin BE0003721 AHR P35869 AHR_HUMAN agonist 14644660; 9661887; 33302042 "Zhang S, Qin C, Safe SH: Flavonoids as aryl hydrocarbon receptor agonists/antagonists: effects of structure and cell context. Environ Health Perspect. 2003 Dec;111(16):1877-82.@@Ciolino HP, Wang TT, Yeh GC: Diosmin and diosmetin are agonists of the aryl hydrocarbon receptor that differentially affect cytochrome P450 1A1 activity. Cancer Res. 1998 Jul 1;58(13):2754-60.@@Lee J, Song KM, Jung CH: Diosmin restores the skin barrier by targeting the aryl hydrocarbon receptor in atopic dermatitis. Phytomedicine. 2021 Jan;81:153418. doi: 10.1016/j.phymed.2020.153418. Epub 2020 Nov 25." Approved; Investigational Flavonoid-7-O-glycosides Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides "OATP1B1/SLCO1B1 Inhibitors; Benzopyrans; Pyrans; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Chromones; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Flavonoids; Cytochrome P-450 CYP2E1 Inhibitors; Flavones; Capillary Stabilizing Agents; Vasoprotectives" COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1 310264956 D07858 Diosmin CHEMBL231884 3489 DB09006 Clinofibrate BE0000071 PPARA Q07869 PPARA_HUMAN 11779144 "Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Hydroxy Acids; Acids, Acyclic; Acetates; Glycolates" CCC(C)(OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(OC(C)(CC)C(O)=O)C=C1)C(O)=O 310264965 D01300 Clinofibrate CHEMBL1897738 DB09006 Clinofibrate BE0000215 PPARG P37231 PPARG_HUMAN 11779144 "Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Hydroxy Acids; Acids, Acyclic; Acetates; Glycolates" CCC(C)(OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(OC(C)(CC)C(O)=O)C=C1)C(O)=O 310264965 D01300 Clinofibrate CHEMBL1897738 DB09006 Clinofibrate BE0001007 PPARD Q03181 PPARD_HUMAN 11779144 "Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Hydroxy Acids; Acids, Acyclic; Acetates; Glycolates" CCC(C)(OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(OC(C)(CC)C(O)=O)C=C1)C(O)=O 310264965 D01300 Clinofibrate CHEMBL1897738 DB09014 Captodiame BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 23863923 "Ring RM, Regan CM: Captodiamine, a putative antidepressant, enhances hypothalamic BDNF expression in vivo by synergistic 5-HT2c receptor antagonism and sigma-1 receptor agonism. J Psychopharmacol. 2013 Oct;27(10):930-9. doi: 10.1177/0269881113497614. Epub 2013 Jul 17." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Psycholeptics; Anti-Anxiety Agents; Serotonin Agents; Diphenylmethane Derivatives; Central Nervous System Depressants; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Serotonin Receptor Antagonists; Antidepressive Agents CCCCSC1=CC=C(C=C1)C(SCCN(C)C)C1=CC=CC=C1 310264972 D07316 Captodiame CHEMBL2110809 89812 DB09014 Captodiame BE0000581 DRD3 P35462 DRD3_HUMAN agonist 23863923 "Ring RM, Regan CM: Captodiamine, a putative antidepressant, enhances hypothalamic BDNF expression in vivo by synergistic 5-HT2c receptor antagonism and sigma-1 receptor agonism. J Psychopharmacol. 2013 Oct;27(10):930-9. doi: 10.1177/0269881113497614. Epub 2013 Jul 17." Experimental Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Psycholeptics; Anti-Anxiety Agents; Serotonin Agents; Diphenylmethane Derivatives; Central Nervous System Depressants; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Serotonin Receptor Antagonists; Antidepressive Agents CCCCSC1=CC=C(C=C1)C(SCCN(C)C)C1=CC=CC=C1 310264972 D07316 Captodiame CHEMBL2110809 89812 DB09016 Butriptyline BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 6086881; 3816971; 9537821 "Richelson E, Nelson A: Antagonism by antidepressants of neurotransmitter receptors of normal human brain in vitro. J Pharmacol Exp Ther. 1984 Jul;230(1):94-102.@@Wander TJ, Nelson A, Okazaki H, Richelson E: Antagonism by antidepressants of serotonin S1 and S2 receptors of normal human brain in vitro. Eur J Pharmacol. 1986 Dec 16;132(2-3):115-21.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58." Approved; Withdrawn Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Psychoanaleptics; Benzocycloheptenes; Antidepressive Agents, Tricyclic; Agents that reduce seizure threshold; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Neurotoxic agents; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs" 347910390 D07601 Butriptyline CHEMBL2110816 19895 DB09017 Brotizolam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Investigational; Withdrawn Thienodiazepines Organic compounds; Organoheterocyclic compounds; Thienodiazepines Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Hypnotics and Sedatives; Cytochrome P-450 CYP3A Substrates; Benzodiazepine hypnotics and sedatives; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Psycholeptics CC1=NN=C2CN=C(C3=C(SC(Br)=C3)N12)C1=CC=CC=C1Cl 310264974 D01744 Brotizolam CHEMBL32479 19790 DB09019 Bromhexine BE0009920 TMPRSS2 O15393 TMPS2_HUMAN 32360584; 32334052; 32458206 "Habtemariam S, Nabavi SF, Ghavami S, Cismaru CA, Berindan-Neagoe I, Nabavi SM: Possible use of the mucolytic drug, bromhexine hydrochloride, as a prophylactic agent against SARS-CoV-2 infection based on its action on the Transmembrane Serine Protease 2. Pharmacol Res. 2020 Jul;157:104853. doi: 10.1016/j.phrs.2020.104853. Epub 2020 Apr 30.@@Maggio R, Corsini GU: Repurposing the mucolytic cough suppressant and TMPRSS2 protease inhibitor bromhexine for the prevention and management of SARS-CoV-2 infection. Pharmacol Res. 2020 Jul;157:104837. doi: 10.1016/j.phrs.2020.104837. Epub 2020 Apr 22.@@Depfenhart M, de Villiers D, Lemperle G, Meyer M, Di Somma S: Potential new treatment strategies for COVID-19: is there a role for bromhexine as add-on therapy? Intern Emerg Med. 2020 Aug;15(5):801-812. doi: 10.1007/s11739-020-02383-3. Epub 2020 May 26." Approved Phenylmethylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines Aniline Compounds; Cycloparaffins; Amines; Cough and Cold Preparations; Respiratory System Agents; Cyclohexanes; Expectorants; Cyclohexylamines CN(CC1=CC(Br)=CC(Br)=C1N)C1CCCCC1 310264976 D07542 Bromhexine CHEMBL253376 1753 DB09019 Bromhexine BE0000982 ACE2 Q9BYF1 ACE2_HUMAN binder 32995775; 33045350 "Olaleye OA, Kaur M, Onyenaka CC: Ambroxol Hydrochloride Inhibits the Interaction between Severe Acute Respiratory Syndrome Coronavirus 2 Spike Protein's Receptor Binding Domain and Recombinant Human ACE2. bioRxiv. 2020 Sep 14. doi: 10.1101/2020.09.13.295691.@@Alkotaji M: Azithromycin and ambroxol as potential pharmacotherapy for SARS-CoV-2. Int J Antimicrob Agents. 2020 Dec;56(6):106192. doi: 10.1016/j.ijantimicag.2020.106192. Epub 2020 Oct 10." Approved Phenylmethylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines Aniline Compounds; Cycloparaffins; Amines; Cough and Cold Preparations; Respiratory System Agents; Cyclohexanes; Expectorants; Cyclohexylamines CN(CC1=CC(Br)=CC(Br)=C1N)C1CCCCC1 310264976 D07542 Bromhexine CHEMBL253376 1753 DB09020 Bisacodyl BE0009664 AQP3 Q92482 AQP3_HUMAN negative modulator 21868635; 6249558; 6253843 "Ikarashi N, Baba K, Ushiki T, Kon R, Mimura A, Toda T, Ishii M, Ochiai W, Sugiyama K: The laxative effect of bisacodyl is attributable to decreased aquaporin-3 expression in the colon induced by increased PGE2 secretion from macrophages. Am J Physiol Gastrointest Liver Physiol. 2011 Nov;301(5):G887-95. doi: 10.1152/ajpgi.00286.2011. Epub 2011 Aug 25.@@Rachmilewitz D, Karmeli F, Okon E: Effects of bisacodyl on cAMP and prostaglandin E2 contents, (Na + K) ATPase, adenyl cyclase, and phosphodiesterase activities of rat intestine. Dig Dis Sci. 1980 Aug;25(8):602-8. doi: 10.1007/BF01318874.@@Schreiner J, Nell G, Loeschke K: Effect of diphenolic laxatives on Na+-K+-activated ATPase and cyclic nucleotide content of rat colon mucosa in vivo. Naunyn Schmiedebergs Arch Pharmacol. 1980 Sep;313(3):249-55. doi: 10.1007/BF00505741." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Contact Laxatives; Enemas; Increased Large Intestinal Motility; Stimulation Large Intestine Fluid/Electrolyte Secretion; Cresols; Laxatives; Phenols; Benzene Derivatives; Gastrointestinal Agents; Alimentary Tract and Metabolism; Drugs for Constipation CC(=O)OC1=CC=C(C=C1)C(C1=CC=C(OC(C)=O)C=C1)C1=CC=CC=N1 10193 310264977 D00245 Bisacodyl CHEMBL942 1596 DB09026 Aliskiren BE0000270 REN P00797 RENI_HUMAN inhibitor 11799102; 12927775; 16467656; 16508564; 16965731; 21687346 "Nussberger J, Wuerzner G, Jensen C, Brunner HR: Angiotensin II suppression in humans by the orally active renin inhibitor Aliskiren (SPP100): comparison with enalapril. Hypertension. 2002 Jan;39(1):E1-8.@@Wood JM, Maibaum J, Rahuel J, Grutter MG, Cohen NC, Rasetti V, Ruger H, Goschke R, Stutz S, Fuhrer W, Schilling W, Rigollier P, Yamaguchi Y, Cumin F, Baum HP, Schnell CR, Herold P, Mah R, Jensen C, O'Brien E, Stanton A, Bedigian MP: Structure-based design of aliskiren, a novel orally effective renin inhibitor. Biochem Biophys Res Commun. 2003 Sep 5;308(4):698-705.@@Menard J, Guyene TT, Peyrard S, Azizi M: Conformational changes in prorenin during renin inhibition in vitro and in vivo. J Hypertens. 2006 Mar;24(3):529-34.@@Azizi M, Webb R, Nussberger J, Hollenberg NK: Renin inhibition with aliskiren: where are we now, and where are we going? J Hypertens. 2006 Feb;24(2):243-56.@@Gradman AH, Vivas Y: New drugs for hypertension: what do they offer? Curr Hypertens Rep. 2006 Oct;8(5):425-32.@@Wal P, Wal A, Rai AK, Dixit A: Aliskiren: An orally active renin inhibitor. J Pharm Bioallied Sci. 2011 Apr;3(2):189-93. doi: 10.4103/0975-7406.80764." Approved; Investigational Delta amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Agents Acting on the Renin-Angiotensin System; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Protease Inhibitors; Dicarboxylic Acids; Methyl Ethers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Ethers; Acids, Acyclic; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Renin Inhibitors" COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1 20175 310264980 D03208 PA143487910 Aliskiren CHEMBL1639 325646 DB09028 Cytisine BE0000849 CHRNA4 P43681 ACHA4_HUMAN agonist 25517706; 11553677 "Walker N, Howe C, Glover M, McRobbie H, Barnes J, Nosa V, Parag V, Bassett B, Bullen C: Cytisine versus nicotine for smoking cessation. N Engl J Med. 2014 Dec 18;371(25):2353-62. doi: 10.1056/NEJMoa1407764.@@Houlihan LM, Slater Y, Guerra DL, Peng JH, Kuo YP, Lukas RJ, Cassels BK, Bermudez I: Activity of cytisine and its brominated isosteres on recombinant human alpha7, alpha4beta2 and alpha4beta4 nicotinic acetylcholine receptors. J Neurochem. 2001 Sep;78(5):1029-43." Experimental Cytisine and derivatives Organic compounds; Alkaloids and derivatives; Lupin alkaloids; Cytisine and derivatives "Drugs Used in Addictive Disorders; Heterocyclic Compounds, Fused-Ring; Drugs Used in Nicotine Dependence; Alkaloids; Quinolizidines; Nervous System; Quinolizines; Nicotine, antagonists & inhibitors" O=C1C=CC=C2[C@H]3CNC[C@H](C3)CN12 310264982 D07770 Cytisine CHEMBL497939 1723152 DB09028 Cytisine BE0003585 CHRNA3 P32297 ACHA3_HUMAN agonist 25517706; 11553677 "Walker N, Howe C, Glover M, McRobbie H, Barnes J, Nosa V, Parag V, Bassett B, Bullen C: Cytisine versus nicotine for smoking cessation. N Engl J Med. 2014 Dec 18;371(25):2353-62. doi: 10.1056/NEJMoa1407764.@@Houlihan LM, Slater Y, Guerra DL, Peng JH, Kuo YP, Lukas RJ, Cassels BK, Bermudez I: Activity of cytisine and its brominated isosteres on recombinant human alpha7, alpha4beta2 and alpha4beta4 nicotinic acetylcholine receptors. J Neurochem. 2001 Sep;78(5):1029-43." Experimental Cytisine and derivatives Organic compounds; Alkaloids and derivatives; Lupin alkaloids; Cytisine and derivatives "Drugs Used in Addictive Disorders; Heterocyclic Compounds, Fused-Ring; Drugs Used in Nicotine Dependence; Alkaloids; Quinolizidines; Nervous System; Quinolizines; Nicotine, antagonists & inhibitors" O=C1C=CC=C2[C@H]3CNC[C@H](C3)CN12 310264982 D07770 Cytisine CHEMBL497939 1723152 DB09028 Cytisine BE0003587 CHRNA6 Q15825 ACHA6_HUMAN agonist 25517706; 11553677 "Walker N, Howe C, Glover M, McRobbie H, Barnes J, Nosa V, Parag V, Bassett B, Bullen C: Cytisine versus nicotine for smoking cessation. N Engl J Med. 2014 Dec 18;371(25):2353-62. doi: 10.1056/NEJMoa1407764.@@Houlihan LM, Slater Y, Guerra DL, Peng JH, Kuo YP, Lukas RJ, Cassels BK, Bermudez I: Activity of cytisine and its brominated isosteres on recombinant human alpha7, alpha4beta2 and alpha4beta4 nicotinic acetylcholine receptors. J Neurochem. 2001 Sep;78(5):1029-43." Experimental Cytisine and derivatives Organic compounds; Alkaloids and derivatives; Lupin alkaloids; Cytisine and derivatives "Drugs Used in Addictive Disorders; Heterocyclic Compounds, Fused-Ring; Drugs Used in Nicotine Dependence; Alkaloids; Quinolizidines; Nervous System; Quinolizines; Nicotine, antagonists & inhibitors" O=C1C=CC=C2[C@H]3CNC[C@H](C3)CN12 310264982 D07770 Cytisine CHEMBL497939 1723152 DB09030 Vorapaxar BE0000928 F2R P25116 PAR1_HUMAN antagonist 19715408 "Bonaca MP, Morrow DA: SCH 530348: a novel oral thrombin receptor antagonist. Future Cardiol. 2009 Sep;5(5):435-42. doi: 10.2217/fca.09.27." Approved Naphthofurans Organic compounds; Organoheterocyclic compounds; Naphthofurans "P-glycoprotein inhibitors; Cytochrome P-450 Substrates; Blood and Blood Forming Organs; Protease-activated Receptor-1 Antagonists; Anticoagulants; Cytochrome P-450 CYP3A Substrates; Hematologic Agents; Platelet Aggregation Inhibitors Excl. Heparin; Protease-activated Receptor-1 Antagonist; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Receptor, PAR-1, antagonists & inhibitors; Antiplatelet agents; Receptors, Thrombin, antagonists & inhibitors" [H][C@@]12C[C@]3([H])C[C@@H](CC[C@@]3([H])[C@H](\C=C\C3=CC=C(C=N3)C3=CC(F)=CC=C3)[C@]1([H])[C@@H](C)OC2=O)NC(=O)OCC 22713 310264983 D09765 Vorapaxar CHEMBL493982 1537034 DB09031 Miltefosine BE0001032 ABCB1 P08183 MDR1_HUMAN 11355955 "Rybczynska M, Liu R, Lu P, Sharom FJ, Steinfels E, Pietro AD, Spitaler M, Grunicke H, Hofmann J: MDR1 causes resistance to the antitumour drug miltefosine. Br J Cancer. 2001 May 18;84(10):1405-11." Approved; Investigational Phosphocholines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts "Quaternary Ammonium Compounds; Anti-Infective Agents; Onium Compounds; Amines; Trimethyl Ammonium Compounds; Antifungal Agents; Antileishmanial; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Agents Against Leishmaniasis and Trypanosomiasis; Antiparasitic Agents; Antineoplastic Agents" CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C 310264984 D02494 Miltefosine CHEMBL125 1494066 DB09033 Vedolizumab BE0000590 ITGA4 P13612 ITA4_HUMAN antibody 19509315 "Soler D, Chapman T, Yang LL, Wyant T, Egan R, Fedyk ER: The binding specificity and selective antagonism of vedolizumab, an anti-alpha4beta7 integrin therapeutic antibody in development for inflammatory bowel diseases. J Pharmacol Exp Ther. 2009 Sep;330(3):864-75. doi: 10.1124/jpet.109.153973. Epub 2009 Jun 9." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Integrin Receptor Antagonist; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Antibodies; Immunotherapy; Proteins; Miscellaneous GI Drugs; Immunoglobulins; Selective Immunosuppressants; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Blood Proteins" 22569 347910392 D08083 Vedolizumab CHEMBL1743087 1538097 DB09033 Vedolizumab BE0003414 ITGB7 P26010 ITB7_HUMAN antibody 19509315 "Soler D, Chapman T, Yang LL, Wyant T, Egan R, Fedyk ER: The binding specificity and selective antagonism of vedolizumab, an anti-alpha4beta7 integrin therapeutic antibody in development for inflammatory bowel diseases. J Pharmacol Exp Ther. 2009 Sep;330(3):864-75. doi: 10.1124/jpet.109.153973. Epub 2009 Jun 9." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Integrin Receptor Antagonist; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Antibodies; Immunotherapy; Proteins; Miscellaneous GI Drugs; Immunoglobulins; Selective Immunosuppressants; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Blood Proteins" 22569 347910392 D08083 Vedolizumab CHEMBL1743087 1538097 DB09034 Suvorexant BE0005865 HCRTR2 O43614 OX2R_HUMAN antagonist 23702225 "Palasz A, Lapray D, Peyron C, Rojczyk-Golebiewska E, Skowronek R, Markowski G, Czajkowska B, Krzystanek M, Wiaderkiewicz R: Dual orexin receptor antagonists - promising agents in the treatment of sleep disorders. Int J Neuropsychopharmacol. 2014 Jan;17(1):157-68. doi: 10.1017/S1461145713000552. Epub 2013 May 23." Approved; Investigational "N,N-dialkyl-m-toluamides" Organic compounds; Benzenoids; Benzene and substituted derivatives; Toluenes "Orexin Receptor Antagonists; P-glycoprotein inhibitors; Sleep Aids, Pharmaceutical; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Hypnotics and Sedatives; Miscellaneous Anxiolytics Sedatives and Hypnotics; Neurotransmitter Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A Substrates; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Psycholeptics" [H][C@@]1(C)CCN(CCN1C(=O)C1=C(C=CC(C)=C1)N1N=CC=N1)C1=NC2=C(O1)C=CC(Cl)=C2 23022 310264985 D10082 Suvorexant CHEMBL1083659 1547099 DB09035 Nivolumab BE0003441 CD274 Q9NZQ7 PD1L1_HUMAN inhibitor 33807678 "Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Adjuvants, Immunologic; Globulins; Amino Acids, Peptides, and Proteins; PD-1/PDL-1 (Programmed cell death protein 1/death ligand 1) inhibitors; Antibodies; Immunotherapy; Immunoglobulin G; Proteins; Programmed Death Receptor-1 Blocking Antibody; Antineoplastic Agents; Immunoglobulins; Immune Checkpoint Inhibitors; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Programmed Death Receptor-1-directed Antibody Interactions; Blood Proteins" 22643 347910393 D10316 Nivolumab CHEMBL2108738 1597876 DB09037 Pembrolizumab BE0003441 CD274 Q9NZQ7 PD1L1_HUMAN inhibitor 33807678 "Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; PD-1/PDL-1 (Programmed cell death protein 1/death ligand 1) inhibitors; Antibodies; Immunotherapy; Proteins; Programmed Death Receptor-1 Blocking Antibody; Antineoplastic Agents; Immunoglobulins; Immune Checkpoint Inhibitors; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Programmed Death Receptor-1-directed Antibody Interactions; Blood Proteins" 22604 347910395 D10574 Pembrolizumab CHEMBL3137343 1547545 DB09039 Eliglustat BE0000477 UGCG Q16739 CEGT_HUMAN inhibitor 25239269 Poole RM: Eliglustat: first global approval. Drugs. 2014 Oct;74(15):1829-36. doi: 10.1007/s40265-014-0296-3. Approved; Investigational "Benzo-1,4-dioxanes" "Organic compounds; Organoheterocyclic compounds; Benzodioxanes; Benzo-1,4-dioxanes" Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Glucosylceramide Synthase Inhibitors; P-glycoprotein substrates; Alimentary Tract and Metabolism; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Glucosylceramide Synthase Inhibitor; Gaucher Disease; Various Alimentary Tract and Metabolism Products; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Highest Risk QTc-Prolonging Agents; Other Miscellaneous Therapeutic Agents CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)C1=CC=C2OCCOC2=C1 22865 310264987 D09893 PA166123486 Eliglustat CHEMBL2110588 1547220 DB09043 Albiglutide BE0000857 GLP1R P43220 GLP1R_HUMAN agonist 25136065; 28086882; 27981757; 24373234; 26824365; 27677385 "Trujillo JM, Nuffer W: Albiglutide: a new GLP-1 receptor agonist for the treatment of type 2 diabetes. Ann Pharmacother. 2014 Nov;48(11):1494-501. doi: 10.1177/1060028014545807. Epub 2014 Aug 18.@@Lorenz M, Lawson F, Owens D, Raccah D, Roy-Duval C, Lehmann A, Perfetti R, Blonde L: Differential effects of glucagon-like peptide-1 receptor agonists on heart rate. Cardiovasc Diabetol. 2017 Jan 13;16(1):6. doi: 10.1186/s12933-016-0490-6.@@Htike ZZ, Zaccardi F, Papamargaritis D, Webb DR, Khunti K, Davies MJ: Efficacy and safety of glucagon-like peptide-1 receptor agonists in type 2 diabetes: A systematic review and mixed-treatment comparison analysis. Diabetes Obes Metab. 2017 Apr;19(4):524-536. doi: 10.1111/dom.12849. Epub 2017 Feb 17.@@Nadkarni P, Chepurny OG, Holz GG: Regulation of glucose homeostasis by GLP-1. Prog Mol Biol Transl Sci. 2014;121:23-65. doi: 10.1016/B978-0-12-800101-1.00002-8.@@Gallwitz B: Novel Therapeutic Approaches in Diabetes. Endocr Dev. 2016;31:43-56. doi: 10.1159/000439372. Epub 2016 Jan 19.@@Rendell MS: Albiglutide: a unique GLP-1 receptor agonist. Expert Opin Biol Ther. 2016 Dec;16(12):1557-1569. doi: 10.1080/14712598.2016.1240780. Epub 2016 Oct 3." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; GLP-1 Agonists; Recombinant Proteins; Gastrointestinal Hormones; Incretin Mimetics; Incretins; Glucagon-Like Peptides; Proglucagon; Hormones, Hormone Substitutes, and Hormone Antagonists; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Glucagon-like peptide-1 (GLP-1) analogues" 22625 347910396 D08843 Albiglutide 1534763 DB09045 Dulaglutide BE0000857 GLP1R P43220 GLP1R_HUMAN agonist 25367716; 24842985; 24373234; 24762094; 28086882; 26089386; 26824365; 26179187; 27981757; 24742660; 26656966 "Sanford M: Dulaglutide: first global approval. Drugs. 2014 Nov;74(17):2097-103. doi: 10.1007/s40265-014-0320-7.@@Umpierrez G, Tofe Povedano S, Perez Manghi F, Shurzinske L, Pechtner V: Efficacy and safety of dulaglutide monotherapy versus metformin in type 2 diabetes in a randomized controlled trial (AWARD-3). Diabetes Care. 2014 Aug;37(8):2168-76. doi: 10.2337/dc13-2759. Epub 2014 May 19.@@Nadkarni P, Chepurny OG, Holz GG: Regulation of glucose homeostasis by GLP-1. Prog Mol Biol Transl Sci. 2014;121:23-65. doi: 10.1016/B978-0-12-800101-1.00002-8.@@Skrivanek Z, Gaydos BL, Chien JY, Geiger MJ, Heathman MA, Berry S, Anderson JH, Forst T, Milicevic Z, Berry D: Dose-finding results in an adaptive, seamless, randomized trial of once-weekly dulaglutide combined with metformin in type 2 diabetes patients (AWARD-5). Diabetes Obes Metab. 2014 Aug;16(8):748-56. doi: 10.1111/dom.12305. Epub 2014 May 22.@@Lorenz M, Lawson F, Owens D, Raccah D, Roy-Duval C, Lehmann A, Perfetti R, Blonde L: Differential effects of glucagon-like peptide-1 receptor agonists on heart rate. Cardiovasc Diabetol. 2017 Jan 13;16(1):6. doi: 10.1186/s12933-016-0490-6.@@Giorgino F, Benroubi M, Sun JH, Zimmermann AG, Pechtner V: Efficacy and Safety of Once-Weekly Dulaglutide Versus Insulin Glargine in Patients With Type 2 Diabetes on Metformin and Glimepiride (AWARD-2). Diabetes Care. 2015 Dec;38(12):2241-9. doi: 10.2337/dc14-1625. Epub 2015 Jun 18.@@Gallwitz B: Novel Therapeutic Approaches in Diabetes. Endocr Dev. 2016;31:43-56. doi: 10.1159/000439372. Epub 2016 Jan 19.@@Miyagawa J, Odawara M, Takamura T, Iwamoto N, Takita Y, Imaoka T: Once-weekly glucagon-like peptide-1 receptor agonist dulaglutide is non-inferior to once-daily liraglutide and superior to placebo in Japanese patients with type 2 diabetes: a 26-week randomized phase III study. Diabetes Obes Metab. 2015 Oct;17(10):974-83. doi: 10.1111/dom.12534. Epub 2015 Aug 20.@@Htike ZZ, Zaccardi F, Papamargaritis D, Webb DR, Khunti K, Davies MJ: Efficacy and safety of glucagon-like peptide-1 receptor agonists in type 2 diabetes: A systematic review and mixed-treatment comparison analysis. Diabetes Obes Metab. 2017 Apr;19(4):524-536. doi: 10.1111/dom.12849. Epub 2017 Feb 17.@@Nauck M, Weinstock RS, Umpierrez GE, Guerci B, Skrivanek Z, Milicevic Z: Efficacy and safety of dulaglutide versus sitagliptin after 52 weeks in type 2 diabetes in a randomized controlled trial (AWARD-5). Diabetes Care. 2014 Aug;37(8):2149-58. doi: 10.2337/dc13-2761. Epub 2014 Apr 17.@@Tamaki C, Takeuchi M, Iwamoto N, Glaesner W: [Pharmacological profile and clinical trial results of a long-acting, once weekly human GLP-1 receptor agonist Dulaglutide (Genetical Recombination)]. Nihon Yakurigaku Zasshi. 2015 Oct;146(4):215-24. doi: 10.1254/fpj.146.215." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Gastrointestinal Hormones; Serum Globulins; Immunoproteins; Globulins; Protein Precursors; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Proteins; Alimentary Tract and Metabolism; Hormones; Immunoglobulins; Peptides; Pancreatic Hormones; Proglucagon; Glucagon-like peptide-1 (GLP-1) analogues; GLP-1 Agonists; Drugs Used in Diabetes; Recombinant Proteins; Peptide Hormones; Peptide Fragments; Immunoglobulin Fragments; Blood Proteins; Incretin Mimetics; Hormones, Hormone Substitutes, and Hormone Antagonists" 22660 347910397 D09889 P43220 Dulaglutide CHEMBL2108027 1551291 DB09046 Metreleptin BE0003376 LEPR P48357 LEPR_HUMAN agonist 25249580 "Moon HS, Huh JY, Dincer F, Schneider BE, Hasselgren PO, Mantzoros CS: Identification and saturable nature of signaling pathways induced by metreleptin in humans: comparative evaluation of in vivo, ex vivo, and in vitro administration. Diabetes. 2015 Mar;64(3):828-39. doi: 10.2337/db14-0625. Epub 2014 Sep 23." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Analogs/Derivatives; Obesity, drug therapy; Biological Factors; Intercellular Signaling Peptides and Proteins; Peptide Hormones; Adipokines; Leptin Analog; Amino Acids and Derivatives; Peptides; Proteins; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 347910398 D05014 P41159 Metreleptin CHEMBL2107857 1491625 DB09047 Finafloxacin BE0000742 TOP2A P11388 TOP2A_HUMAN inhibitor 25808831 McKeage K: Finafloxacin: first global approval. Drugs. 2015 Apr;75(6):687-93. doi: 10.1007/s40265-015-0384-z. Approved; Investigational Quinoline carboxylic acids Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids "Quinolone Antimicrobial; Anti-Infective Agents; Topoisomerase II Inhibitors; Heterocyclic Compounds, Fused-Ring; Fluoroquinolones; Enzyme Inhibitors; Topoisomerase Inhibitors; Anti-Bacterial Agents; Quinolones; Quinolines; Antineoplastic Agents; Anti-Infective Agents, Urinary" [H][C@]12CN(C[C@]1([H])OCCN2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1C#N)C(O)=O 22701 310264991 D10575 Finafloxacin CHEMBL1908370 1598641 DB09048 Netupitant BE0000384 TACR1 P25103 NK1R_HUMAN antagonist 25687374 "Darmani NA, Zhong W, Chebolu S, Mercadante F: Differential and additive suppressive effects of 5-HT3 (palonosetron)- and NK1 (netupitant)-receptor antagonists on cisplatin-induced vomiting and ERK1/2, PKA and PKC activation. Pharmacol Biochem Behav. 2015 Apr;131:104-11. doi: 10.1016/j.pbb.2015.02.010. Epub 2015 Feb 14." Approved; Investigational Pyridinylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Acetamides; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Substance P/Neurokinin-1 Receptor Antagonist; Netupitant and prodrug; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Neurokinin 1 Antagonists; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown) CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=CC=C1C)N1CCN(C)CC1 22906 310264992 D10572 Netupitant CHEMBL206253 1552337 DB09049 Naloxegol BE0000770 OPRM1 P35372 OPRM_HUMAN antagonist 25471070 "Leonard J, Baker DE: Naloxegol: treatment for opioid-induced constipation in chronic non-cancer pain. Ann Pharmacother. 2015 Mar;49(3):360-5. doi: 10.1177/1060028014560191. Epub 2014 Dec 3." Approved Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Opioid Antagonists; Cytochrome P-450 Substrates; Glycols; Cytochrome P-450 Enzyme Inhibitors; Alcohols; Alkaloids; Macromolecular Substances; Miscellaneous GI Drugs; Cytochrome P-450 CYP2C19 Inhibitors (weak); Alimentary Tract and Metabolism; Heterocyclic Compounds, Fused-Ring; Peripheral Opioid Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Phenanthrenes; Central Nervous System Agents; Polymers; Cytochrome P-450 CYP2C19 Inhibitors; Opiate Alkaloids; Ethylene Glycols; Opioids; Drugs for Constipation" COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC=C)[C@H]1O5 22609 310264993 D10479 Naloxegol CHEMBL2219418 1551777 DB09052 Blinatumomab BE0003456 CD3D P04234 CD3D_HUMAN antibody 25883042 "Zugmaier G, Klinger M, Schmidt M, Subklewe M: Clinical overview of anti-CD19 BiTE((R)) and ex vivo data from anti-CD33 BiTE((R)) as examples for retargeting T cells in hematologic malignancies. Mol Immunol. 2015 Oct;67(2 Pt A):58-66. doi: 10.1016/j.molimm.2015.02.033. Epub 2015 Apr 13." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Myelosuppressive Agents; Serum Globulins; Cancer immunotherapy; Bispecific CD19-directed CD3-directed T Cell Engager; Immunoproteins; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; CD19-directed Antibody Interactions; CD3-directed Antibody Interactions; Proteins; Antineoplastic Agents; Immunoglobulins; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Narrow Therapeutic Index Drugs; Blood Proteins" 22674 347910400 D09325 Blinatumomab CHEMBL1742992 1597258 DB09053 Ibrutinib BE0001284 BTK Q06187 BTK_HUMAN inhibitor 25802231; 31028669; 29125406; 30737226; 31591468; 33689480; 34209188 "Kim ES, Dhillon S: Ibrutinib: a review of its use in patients with mantle cell lymphoma or chronic lymphocytic leukaemia. Drugs. 2015 May;75(7):769-76. doi: 10.1007/s40265-015-0380-3.@@Bond DA, Woyach JA: Targeting BTK in CLL: Beyond Ibrutinib. Curr Hematol Malig Rep. 2019 Jun;14(3):197-205. doi: 10.1007/s11899-019-00512-0.@@Thompson PA, Burger JA: Bruton's tyrosine kinase inhibitors: first and second generation agents for patients with Chronic Lymphocytic Leukemia (CLL). Expert Opin Investig Drugs. 2018 Jan;27(1):31-42. doi: 10.1080/13543784.2018.1404027. Epub 2017 Nov 15.@@McWilliams EM, Lucas CR, Chen T, Harrington BK, Wasmuth R, Campbell A, Rogers KA, Cheney CM, Mo X, Andritsos LA, Awan FT, Woyach J, Carson WE 3rd, Butchar J, Tridandapani S, Hertlein E, Castro CE, Muthusamy N, Byrd JC: Anti-BAFF-R antibody VAY-736 demonstrates promising preclinical activity in CLL and enhances effectiveness of ibrutinib. Blood Adv. 2019 Feb 12;3(3):447-460. doi: 10.1182/bloodadvances.2018025684.@@Castillo JJ, Treon SP: What is new in the treatment of Waldenstrom macroglobulinemia? Leukemia. 2019 Nov;33(11):2555-2562. doi: 10.1038/s41375-019-0592-8. Epub 2019 Oct 7.@@Zheng TJ, Lofurno ER, Melrose AR, Lakshmanan HHS, Pang J, Phillips KG, Fallon ME, Kohs TCL, Ngo ATP, Shatzel JJ, Hinds MT, McCarty OJT, Aslan JE: Assessment of the effects of Syk and BTK inhibitors on GPVI-mediated platelet signaling and function. Am J Physiol Cell Physiol. 2021 May 1;320(5):C902-C915. doi: 10.1152/ajpcell.00296.2020. Epub 2021 Mar 10.@@Kaliamurthi S, Selvaraj G, Selvaraj C, Singh SK, Wei DQ, Peslherbe GH: Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19. Int J Mol Sci. 2021 Jun 30;22(13). pii: ijms22137071. doi: 10.3390/ijms22137071." Approved Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers "Myelosuppressive Agents; Purines; Cancer immunotherapy; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Immunotherapy; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; Antineoplastic Agents; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents" NC1=NC=NC2=C1C(=NN2[C@@H]1CCCN(C1)C(=O)C=C)C1=CC=C(OC2=CC=CC=C2)C=C1 22542 310264995 D10223 PA166121346 Ibrutinib CHEMBL1873475 1442981 DB09054 Idelalisib BE0002406 PIK3CD O00329 PK3CD_HUMAN inhibitor Approved 6-alkylaminopurines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Class Ia Phosphatidylinositol 3-Kinase, antagonists & inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Cancer immunotherapy; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Immunotherapy; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; OATP1B3 inhibitors; Phosphatidylinositol-3-kinase (Pi3K) inhibitors; Heterocyclic Compounds, Fused-Ring; UGT1A4 Inhibitors; Hepatotoxic Agents; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A4 substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Quinazolines; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" [H][C@@](CC)(NC1=NC=NC2=C1N=CN2)C1=NC2=CC=CC(F)=C2C(=O)N1C1=CC=CC=C1 22590 310264996 D10560 Idelalisib CHEMBL2216870 1544460 DB09059 Atosiban BE0000165 AVPR1A P37288 V1AR_HUMAN antagonist 10519430 "Akerlund M, Bossmar T, Brouard R, Kostrzewska A, Laudanski T, Lemancewicz A, Serradeil-Le Gal C, Steinwall M: Receptor binding of oxytocin and vasopressin antagonists and inhibitory effects on isolated myometrium from preterm and term pregnant women. Br J Obstet Gynaecol. 1999 Oct;106(10):1047-53." Approved; Investigational Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Peptide Hormones; Peptides; Pituitary Hormones, Posterior; Genito Urinary System and Sex Hormones; Hormone Antagonists; Pituitary Hormones; Tocolytic Agents; Amino Acids, Peptides, and Proteins; Reproductive Control Agents; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@]1(NC(=O)[C@@]([H])(NC(=O)[C@@H](CC2=CC=C(OCC)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)[C@@H](C)CC)[C@@H](C)O D03008 Atosiban CHEMBL382301 59639 DB09061 Cannabidiol BE0000061 CNR1 P21554 CNR1_HUMAN antagonist 26218440 "Laprairie RB, Bagher AM, Kelly ME, Denovan-Wright EM: Cannabidiol is a negative allosteric modulator of the cannabinoid CB1 receptor. Br J Pharmacol. 2015 Oct;172(20):4790-805. doi: 10.1111/bph.13250. Epub 2015 Oct 13." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09061 Cannabidiol BE0000433 GLRA1 P23415 GLRA1_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09061 Cannabidiol BE0000414 GLRA3 O75311 GLRA3_HUMAN potentiator 26264914; 22585736 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@Xiong W, Cui T, Cheng K, Yang F, Chen SR, Willenbring D, Guan Y, Pan HL, Ren K, Xu Y, Zhang L: Cannabinoids suppress inflammatory and neuropathic pain by targeting alpha3 glycine receptors. J Exp Med. 2012 Jun 4;209(6):1121-34. doi: 10.1084/jem.20120242. Epub 2012 May 14." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09061 Cannabidiol BE0000420 OPRD1 P41143 OPRD_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09061 Cannabidiol BE0000770 OPRM1 P35372 OPRM_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09061 Cannabidiol BE0000215 PPARG P37231 PPARG_HUMAN activator 26264914; 24288245 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@Scuderi C, Steardo L, Esposito G: Cannabidiol promotes amyloid precursor protein ubiquitination and reduction of beta amyloid expression in SHSY5YAPP+ cells through PPARgamma involvement. Phytother Res. 2014 Jul;28(7):1007-13. doi: 10.1002/ptr.5095. Epub 2013 Nov 28." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09061 Cannabidiol BE0000864 CACNA1H O95180 CAC1H_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09061 Cannabidiol BE0000012 CACNA1I Q9P0X4 CAC1I_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09061 Cannabidiol BE0001122 TRPA1 O75762 TRPA1_HUMAN agonist 26264914; 21175579 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@De Petrocellis L, Ligresti A, Moriello AS, Allara M, Bisogno T, Petrosino S, Stott CG, Di Marzo V: Effects of cannabinoids and cannabinoid-enriched Cannabis extracts on TRP channels and endocannabinoid metabolic enzymes. Br J Pharmacol. 2011 Aug;163(7):1479-94. doi: 10.1111/j.1476-5381.2010.01166.x." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09061 Cannabidiol BE0001186 TRPM8 Q7Z2W7 TRPM8_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09061 Cannabidiol BE0009158 TRPV2 Q9Y5S1 TRPV2_HUMAN activator 26264914; 21175579 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@De Petrocellis L, Ligresti A, Moriello AS, Allara M, Bisogno T, Petrosino S, Stott CG, Di Marzo V: Effects of cannabinoids and cannabinoid-enriched Cannabis extracts on TRP channels and endocannabinoid metabolic enzymes. Br J Pharmacol. 2011 Aug;163(7):1479-94. doi: 10.1111/j.1476-5381.2010.01166.x." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09061 Cannabidiol BE0000574 HMGCR P04035 HMDH_HUMAN stimulator 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09061 Cannabidiol BE0000648 GSR P00390 GSHR_HUMAN stimulator 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09061 Cannabidiol BE0001184 NQO1 P15559 NQO1_HUMAN inhibitor 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09061 Cannabidiol BE0001207 CAT P04040 CATA_HUMAN inhibitor 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09061 Cannabidiol BE0002362 CYP3A5 P20815 CP3A5_HUMAN inhibitor 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09061 Cannabidiol BE0002390 SOD1 P00441 SODC_HUMAN inhibitor 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09061 Cannabidiol BE0003612 CYP3A7 P24462 CP3A7_HUMAN inhibitor 26264914; 24160757 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@Stout SM, Cimino NM: Exogenous cannabinoids as substrates, inhibitors, and inducers of human drug metabolizing enzymes: a systematic review. Drug Metab Rev. 2014 Feb;46(1):86-95. doi: 10.3109/03602532.2013.849268. Epub 2013 Oct 25." Approved; Investigational Aromatic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 14448 347827820 Cannabidiol CHEMBL190461 2045371 DB09063 Ceritinib BE0000359 ALK Q9UM73 ALK_HUMAN antagonist 17185414; 23742252 "Galkin AV, Melnick JS, Kim S, Hood TL, Li N, Li L, Xia G, Steensma R, Chopiuk G, Jiang J, Wan Y, Ding P, Liu Y, Sun F, Schultz PG, Gray NS, Warmuth M: Identification of NVP-TAE684, a potent, selective, and efficacious inhibitor of NPM-ALK. Proc Natl Acad Sci U S A. 2007 Jan 2;104(1):270-5. Epub 2006 Dec 21.@@Marsilje TH, Pei W, Chen B, Lu W, Uno T, Jin Y, Jiang T, Kim S, Li N, Warmuth M, Sarkisova Y, Sun F, Steffy A, Pferdekamper AC, Li AG, Joseph SB, Kim Y, Liu B, Tuntland T, Cui X, Gray NS, Steensma R, Wan Y, Jiang J, Chopiuk G, Li J, Gordon WP, Richmond W, Johnson K, Chang J, Groessl T, He YQ, Phimister A, Aycinena A, Lee CC, Bursulaya B, Karanewsky DS, Seidel HM, Harris JL, Michellys PY: Synthesis, structure-activity relationships, and in vivo efficacy of the novel potent and selective anaplastic lymphoma kinase (ALK) inhibitor 5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulf onyl)phenyl)pyrimidine-2,4-diamine (LDK378) currently in phase 1 and phase 2 clinical trials. J Med Chem. 2013 Jul 25;56(14):5675-90. doi: 10.1021/jm400402q. Epub 2013 Jun 26." Approved Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Receptor Protein-Tyrosine Kinases, antagonists & inhibitors; Anaplastic lymphoma kinase (ALK) inhibitors; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CC(C)OC1=C(NC2=NC=C(Cl)C(N2)=NC2=CC=CC=C2S(=O)(=O)C(C)C)C=C(C)C(=C1)C1CCNCC1 22568 310264998 D10551 Ceritinib CHEMBL2403108 1535457 DB09064 Ciprofibrate BE0000071 PPARA Q07869 PPARA_HUMAN 16731579 "Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26." Approved; Investigational Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives "Fibric Acids; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Phenyl Ethers; Phenols; Carcinogens; Ethers; Acids, Acyclic; Noxae; Isobutyrates; Benzene Derivatives; Lipid Modifying Agents; Peroxisome Proliferators; Toxic Actions; Hypolipidemic Agents; Butyrates; Lipid Regulating Agents" CC(C)(OC1=CC=C(C=C1)C1CC1(Cl)Cl)C(O)=O D03521 Ciprofibrate CHEMBL557555 21149 DB09065 Cobicistat BE0002362 CYP3A5 P20815 CP3A5_HUMAN inhibitor 20043009; 28627229 "Mathias AA, German P, Murray BP, Wei L, Jain A, West S, Warren D, Hui J, Kearney BP: Pharmacokinetics and pharmacodynamics of GS-9350: a novel pharmacokinetic enhancer without anti-HIV activity. Clin Pharmacol Ther. 2010 Mar;87(3):322-9. doi: 10.1038/clpt.2009.228. Epub 2009 Dec 30.@@Tseng A, Hughes CA, Wu J, Seet J, Phillips EJ: Cobicistat Versus Ritonavir: Similar Pharmacokinetic Enhancers But Some Important Differences. Ann Pharmacother. 2017 Nov;51(11):1008-1022. doi: 10.1177/1060028017717018. Epub 2017 Jun 19." Approved N-carbamoyl-alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strong); Cytochrome P-450 CYP3A5 Inhibitors; Antiinfectives for Systemic Use; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strong); Thiazoles; BCRP/ABCG2 Inhibitors; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Carbamates; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antivirals used in combination for the treatment of HIV infections; Anti-HIV Agents; Acids, Acyclic; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Anti-Infective Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Sulfur Compounds; Other Miscellaneous Therapeutic Agents; Cytochrome P-450 CYP3A7 Substrates" CC(C)C1=NC(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC2=CC=CC=C2)NC(=O)OCC2=CN=CS2)CC2=CC=CC=C2)=CS1 21508 310264999 D09881 PA166165092 Cobicistat CHEMBL2095208 1306284 DB09065 Cobicistat BE0003612 CYP3A7 P24462 CP3A7_HUMAN inhibitor 28627229; 20043009 "Tseng A, Hughes CA, Wu J, Seet J, Phillips EJ: Cobicistat Versus Ritonavir: Similar Pharmacokinetic Enhancers But Some Important Differences. Ann Pharmacother. 2017 Nov;51(11):1008-1022. doi: 10.1177/1060028017717018. Epub 2017 Jun 19.@@Mathias AA, German P, Murray BP, Wei L, Jain A, West S, Warren D, Hui J, Kearney BP: Pharmacokinetics and pharmacodynamics of GS-9350: a novel pharmacokinetic enhancer without anti-HIV activity. Clin Pharmacol Ther. 2010 Mar;87(3):322-9. doi: 10.1038/clpt.2009.228. Epub 2009 Dec 30." Approved N-carbamoyl-alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strong); Cytochrome P-450 CYP3A5 Inhibitors; Antiinfectives for Systemic Use; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strong); Thiazoles; BCRP/ABCG2 Inhibitors; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Carbamates; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antivirals used in combination for the treatment of HIV infections; Anti-HIV Agents; Acids, Acyclic; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Anti-Infective Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Sulfur Compounds; Other Miscellaneous Therapeutic Agents; Cytochrome P-450 CYP3A7 Substrates" CC(C)C1=NC(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC2=CC=CC=C2)NC(=O)OCC2=CN=CS2)CC2=CC=CC=C2)=CS1 21508 310264999 D09881 PA166165092 Cobicistat CHEMBL2095208 1306284 DB09068 Vortioxetine BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 21486038 "Bang-Andersen B, Ruhland T, Jorgensen M, Smith G, Frederiksen K, Jensen KG, Zhong H, Nielsen SM, Hogg S, Mork A, Stensbol TB: Discovery of 1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine (Lu AA21004): a novel multimodal compound for the treatment of major depressive disorder. J Med Chem. 2011 May 12;54(9):3206-21. doi: 10.1021/jm101459g. Epub 2011 Apr 12." Approved; Investigational Piperazines; Serotonin 5-HT1 Receptor Antagonists; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonin 5-HT3 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Neurotransmitter Agents; Nervous System CC1=CC=C(SC2=CC=CC=C2N2CCNCC2)C(C)=C1 22527 310265001 D10184 PA166122595 Vortioxetine CHEMBL2104993 1455099 DB09069 Trimetazidine BE0010052 ACAA2 P42765 THIM_HUMAN inhibitor 11286307; 11286305; 10720420; 11286302; 25756467; 12869391 "Lopaschuk GD: Optimizing cardiac energy metabolism: how can fatty acid and carbohydrate metabolism be manipulated? Coron Artery Dis. 2001 Feb;12 Suppl 1:S8-11.@@Pogatsa G: Metabolic energy metabolism in diabetes: therapeutic implications. Coron Artery Dis. 2001 Feb;12 Suppl 1:S29-33.@@Kantor PF, Lucien A, Kozak R, Lopaschuk GD: The antianginal drug trimetazidine shifts cardiac energy metabolism from fatty acid oxidation to glucose oxidation by inhibiting mitochondrial long-chain 3-ketoacyl coenzyme A thiolase. Circ Res. 2000 Mar 17;86(5):580-8.@@Chierchia SL: Dobutamine stress echocardiography and the effects of trimetazidine on left ventricular dysfunction in patients with coronary artery disease. Coron Artery Dis. 2001 Feb;12 Suppl 1:S19-21.@@Dezsi CA: Trimetazidine in Practice: Review of the Clinical and Experimental Evidence. Am J Ther. 2016 May-Jun;23(3):e871-9. doi: 10.1097/MJT.0000000000000180.@@MacInnes A, Fairman DA, Binding P, Rhodes Ja, Wyatt MJ, Phelan A, Haddock PS, Karran EH: The antianginal agent trimetazidine does not exert its functional benefit via inhibition of mitochondrial long-chain 3-ketoacyl coenzyme A thiolase. Circ Res. 2003 Aug 8;93(3):e26-32. doi: 10.1161/01.RES.0000086943.72932.71. Epub 2003 Jul 17." Approved; Investigational Phenylmethylamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines Cardiovascular Agents; Piperazines; Cardiac Therapy; Vasodilating Agents COC1=C(OC)C(OC)=C(CN2CCNCC2)C=C1 310265002 D01606 Trimetazidine CHEMBL203266 10826 DB09070 Tibolone BE0000123 ESR1 P03372 ESR1_HUMAN antagonist 19464167 "Escande A, Servant N, Rabenoelina F, Auzou G, Kloosterboer H, Cavailles V, Balaguer P, Maudelonde T: Regulation of activities of steroid hormone receptors by tibolone and its primary metabolites. J Steroid Biochem Mol Biol. 2009 Aug;116(1-2):8-14. doi: 10.1016/j.jsbmb.2009.03.008. Epub 2009 Apr 2." Approved; Investigational Oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids "Fused-Ring Compounds; Estrogens, Antiestrogens, and Estrogen Agonist-Antagonists; Cardiovascular Agents; Norpregnanes; Norsteroids; Estrogens; Antineoplastic Agents, Hormonal; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Anabolic Agents; Hormone Antagonists; Steroids; Hormones, Hormone Substitutes, and Hormone Antagonists; Hormones; Estrogen Receptor Modulators" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC(=O)CC3)C[C@@]([H])(C)[C@@]21[H] 1251 347827821 D01639 Tibolone CHEMBL2103774 38260 DB09072 Sodium oxybate BE0010194 GABBR1 O75899 GABR2_HUMAN agonist 15538955; 18536781 "Brenneisen R, Elsohly MA, Murphy TP, Passarelli J, Russmann S, Salamone SJ, Watson DE: Pharmacokinetics and excretion of gamma-hydroxybutyrate (GHB) in healthy subjects. J Anal Toxicol. 2004 Nov-Dec;28(8):625-30.@@Owen RT: Sodium oxybate: efficacy, safety and tolerability in the treatment of narcolepsy with or without cataplexy. Drugs Today (Barc). 2008 Mar;44(3):197-204. doi: 10.1358/dot.2008.44.3.1162240." Approved Short-chain hydroxy acids and derivatives Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Short-chain hydroxy acids and derivatives "Adjuvants, Anesthesia; Hydroxybutyrates; Anesthetics, General; Central Nervous System Agents; Central Nervous System Depressants; Hydroxy Acids; Anesthetics, Intravenous; Anesthetics; Nervous System; Acids, Acyclic; Miscellaneous Central Nervous System Agents; Butyrates" [Na+].OCCCC([O-])=O 15411 347827822 Sodium_oxybate CHEMBL1200682 9899 DB09072 Sodium oxybate BE0004841 SLC52A2 Q9HAB3 S52A2_HUMAN agonist 17381187 "Robinson DM, Keating GM: Sodium oxybate: a review of its use in the management of narcolepsy. CNS Drugs. 2007;21(4):337-54. doi: 10.2165/00023210-200721040-00007." Approved Short-chain hydroxy acids and derivatives Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Short-chain hydroxy acids and derivatives "Adjuvants, Anesthesia; Hydroxybutyrates; Anesthetics, General; Central Nervous System Agents; Central Nervous System Depressants; Hydroxy Acids; Anesthetics, Intravenous; Anesthetics; Nervous System; Acids, Acyclic; Miscellaneous Central Nervous System Agents; Butyrates" [Na+].OCCCC([O-])=O 15411 347827822 Sodium_oxybate CHEMBL1200682 9899 DB09073 Palbociclib BE0002212 CDK6 Q00534 CDK6_HUMAN inhibitor 15542782; 28203301 "Fry DW, Harvey PJ, Keller PR, Elliott WL, Meade M, Trachet E, Albassam M, Zheng X, Leopold WR, Pryer NK, Toogood PL: Specific inhibition of cyclin-dependent kinase 4/6 by PD 0332991 and associated antitumor activity in human tumor xenografts. Mol Cancer Ther. 2004 Nov;3(11):1427-38.@@Rocca A, Schirone A, Maltoni R, Bravaccini S, Cecconetto L, Farolfi A, Bronte G, Andreis D: Progress with palbociclib in breast cancer: latest evidence and clinical considerations. Ther Adv Med Oncol. 2017 Feb;9(2):83-105. doi: 10.1177/1758834016677961. Epub 2016 Nov 21." Approved; Investigational Pyridinylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Myelosuppressive Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cyclin-Dependent Kinases, antagonists & inhibitors; OCT1 inhibitors; Cyclin-dependent kinase (CDK) inhibitors; Narrow Therapeutic Index Drugs" CC(=O)C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N3CCNCC3)N=C2N(C2CCCC2)C1=O 22703 310265004 D10372 PA166153469 Palbociclib CHEMBL189963 1601374 DB09074 Olaparib BE0001717 PARP1 P09874 PARP1_HUMAN inhibitor 25981132; 33114555; 30069770 "Verhagen CV, de Haan R, Hageman F, Oostendorp TP, Carli AL, O'Connor MJ, Jonkers J, Verheij M, van den Brekel MW, Vens C: Extent of radiosensitization by the PARP inhibitor olaparib depends on its dose, the radiation dose and the integrity of the homologous recombination pathway of tumor cells. Radiother Oncol. 2015 Sep;116(3):358-65. doi: 10.1016/j.radonc.2015.03.028. Epub 2015 May 13.@@Tavares TS, Hofman J, Lekesova A, Zelazkova J, Wsol V: Olaparib Synergizes the Anticancer Activity of Daunorubicin via Interaction with AKR1C3. Cancers (Basel). 2020 Oct 26;12(11). pii: cancers12113127. doi: 10.3390/cancers12113127.@@Bochum S, Berger S, Martens UM: Olaparib. Recent Results Cancer Res. 2018;211:217-233. doi: 10.1007/978-3-319-91442-8_15." Approved Phthalazinones Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; OCT2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Poly (ADP-ribose) polymerase (PARP) inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; MATE 2-K Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Pyridazines; Cytochrome P-450 CYP3A5 Inducers; Poly(ADP-ribose) Polymerase Inhibitors; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown) FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N1CCN(CC1)C(=O)C1CC1 22712 D09730 Olaparib CHEMBL521686 1597582 DB09074 Olaparib BE0003798 PARP2 Q9UGN5 PARP2_HUMAN inhibitor 25981132; 30069770 "Verhagen CV, de Haan R, Hageman F, Oostendorp TP, Carli AL, O'Connor MJ, Jonkers J, Verheij M, van den Brekel MW, Vens C: Extent of radiosensitization by the PARP inhibitor olaparib depends on its dose, the radiation dose and the integrity of the homologous recombination pathway of tumor cells. Radiother Oncol. 2015 Sep;116(3):358-65. doi: 10.1016/j.radonc.2015.03.028. Epub 2015 May 13.@@Bochum S, Berger S, Martens UM: Olaparib. Recent Results Cancer Res. 2018;211:217-233. doi: 10.1007/978-3-319-91442-8_15." Approved Phthalazinones Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; OCT2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Poly (ADP-ribose) polymerase (PARP) inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; MATE 2-K Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Pyridazines; Cytochrome P-450 CYP3A5 Inducers; Poly(ADP-ribose) Polymerase Inhibitors; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown) FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N1CCN(CC1)C(=O)C1CC1 22712 D09730 Olaparib CHEMBL521686 1597582 DB09074 Olaparib BE0000592 AKR1C3 P42330 AK1C3_HUMAN inhibitor 33114555 "Tavares TS, Hofman J, Lekesova A, Zelazkova J, Wsol V: Olaparib Synergizes the Anticancer Activity of Daunorubicin via Interaction with AKR1C3. Cancers (Basel). 2020 Oct 26;12(11). pii: cancers12113127. doi: 10.3390/cancers12113127." Approved Phthalazinones Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; OCT2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Poly (ADP-ribose) polymerase (PARP) inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; MATE 2-K Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Pyridazines; Cytochrome P-450 CYP3A5 Inducers; Poly(ADP-ribose) Polymerase Inhibitors; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown) FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N1CCN(CC1)C(=O)C1CC1 22712 D09730 Olaparib CHEMBL521686 1597582 DB09075 Edoxaban BE0000216 F10 P00742 FA10_HUMAN inhibitor 18096568 Turpie AG: New oral anticoagulants in atrial fibrillation. Eur Heart J. 2008 Jan;29(2):155-65. Epub 2007 Dec 19. Approved Gamma amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Protease Inhibitors; Serine Protease Inhibitors; Enzyme Inhibitors; Blood and Blood Forming Organs; Anticoagulants; Factor Xa Inhibitors; Hematologic Agents; Sulfur Compounds; Direct factor Xa inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Antithrombins CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)NC2=NC=C(Cl)C=C2)[C@@H](C1)NC(=O)C1=NC2=C(CN(C)CC2)S1 22816 310265005 D09546 PA166128806 Edoxaban CHEMBL1269025 1599538 DB09076 Umeclidinium BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 23435542 "Salmon M, Luttmann MA, Foley JJ, Buckley PT, Schmidt DB, Burman M, Webb EF, DeHaas CJ, Kotzer CJ, Barrett VJ, Slack RJ, Sarau HM, Palovich MR, Laine DI, Hay DW, Rumsey WL: Pharmacological characterization of GSK573719 (umeclidinium): a novel, long-acting, inhaled antagonist of the muscarinic cholinergic receptors for treatment of pulmonary diseases. J Pharmacol Exp Ther. 2013 May;345(2):260-70. doi: 10.1124/jpet.112.202051. Epub 2013 Feb 22." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "OCT1 substrates; Anticholinergic Agents; Muscarinic Antagonists; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Adrenergics, Inhalants; Drugs for Obstructive Airway Diseases; Agents producing tachycardia; P-glycoprotein substrates; Antimuscarinics Antispasmodics; Pulmonary Disease, Chronic Obstructive, drug therapy; OCT2 Substrates" OC(C1=CC=CC=C1)(C1=CC=CC=C1)C12CC[N+](CCOCC3=CC=CC=C3)(CC1)CC2 22230 347827824 D10180 Umeclidinium_bromide CHEMBL1187833 1487514 DB09076 Umeclidinium BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 23435542 "Salmon M, Luttmann MA, Foley JJ, Buckley PT, Schmidt DB, Burman M, Webb EF, DeHaas CJ, Kotzer CJ, Barrett VJ, Slack RJ, Sarau HM, Palovich MR, Laine DI, Hay DW, Rumsey WL: Pharmacological characterization of GSK573719 (umeclidinium): a novel, long-acting, inhaled antagonist of the muscarinic cholinergic receptors for treatment of pulmonary diseases. J Pharmacol Exp Ther. 2013 May;345(2):260-70. doi: 10.1124/jpet.112.202051. Epub 2013 Feb 22." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "OCT1 substrates; Anticholinergic Agents; Muscarinic Antagonists; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Adrenergics, Inhalants; Drugs for Obstructive Airway Diseases; Agents producing tachycardia; P-glycoprotein substrates; Antimuscarinics Antispasmodics; Pulmonary Disease, Chronic Obstructive, drug therapy; OCT2 Substrates" OC(C1=CC=CC=C1)(C1=CC=CC=C1)C12CC[N+](CCOCC3=CC=CC=C3)(CC1)CC2 22230 347827824 D10180 Umeclidinium_bromide CHEMBL1187833 1487514 DB09076 Umeclidinium BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 23435542 "Salmon M, Luttmann MA, Foley JJ, Buckley PT, Schmidt DB, Burman M, Webb EF, DeHaas CJ, Kotzer CJ, Barrett VJ, Slack RJ, Sarau HM, Palovich MR, Laine DI, Hay DW, Rumsey WL: Pharmacological characterization of GSK573719 (umeclidinium): a novel, long-acting, inhaled antagonist of the muscarinic cholinergic receptors for treatment of pulmonary diseases. J Pharmacol Exp Ther. 2013 May;345(2):260-70. doi: 10.1124/jpet.112.202051. Epub 2013 Feb 22." Approved Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "OCT1 substrates; Anticholinergic Agents; Muscarinic Antagonists; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Adrenergics, Inhalants; Drugs for Obstructive Airway Diseases; Agents producing tachycardia; P-glycoprotein substrates; Antimuscarinics Antispasmodics; Pulmonary Disease, Chronic Obstructive, drug therapy; OCT2 Substrates" OC(C1=CC=CC=C1)(C1=CC=CC=C1)C12CC[N+](CCOCC3=CC=CC=C3)(CC1)CC2 22230 347827824 D10180 Umeclidinium_bromide CHEMBL1187833 1487514 DB09078 Lenvatinib BE0000029 FLT1 P17948 VGFR1_HUMAN inhibitor 17943726 "Matsui J, Yamamoto Y, Funahashi Y, Tsuruoka A, Watanabe T, Wakabayashi T, Uenaka T, Asada M: E7080, a novel inhibitor that targets multiple kinases, has potent antitumor activities against stem cell factor producing human small cell lung cancer H146, based on angiogenesis inhibition. Int J Cancer. 2008 Feb 1;122(3):664-71." Approved; Investigational Quinoline carboxamides Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxamides "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O 22675 310265006 D09919 PA166153472 Lenvatinib CHEMBL1289601 1603296 DB09078 Lenvatinib BE0002131 FGFR1 P11362 FGFR1_HUMAN inhibitor 17943726 "Matsui J, Yamamoto Y, Funahashi Y, Tsuruoka A, Watanabe T, Wakabayashi T, Uenaka T, Asada M: E7080, a novel inhibitor that targets multiple kinases, has potent antitumor activities against stem cell factor producing human small cell lung cancer H146, based on angiogenesis inhibition. Int J Cancer. 2008 Feb 1;122(3):664-71." Approved; Investigational Quinoline carboxamides Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxamides "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O 22675 310265006 D09919 PA166153472 Lenvatinib CHEMBL1289601 1603296 DB09078 Lenvatinib BE0000748 FGFR2 P21802 FGFR2_HUMAN inhibitor 17943726 "Matsui J, Yamamoto Y, Funahashi Y, Tsuruoka A, Watanabe T, Wakabayashi T, Uenaka T, Asada M: E7080, a novel inhibitor that targets multiple kinases, has potent antitumor activities against stem cell factor producing human small cell lung cancer H146, based on angiogenesis inhibition. Int J Cancer. 2008 Feb 1;122(3):664-71." Approved; Investigational Quinoline carboxamides Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxamides "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O 22675 310265006 D09919 PA166153472 Lenvatinib CHEMBL1289601 1603296 DB09078 Lenvatinib BE0001203 FGFR4 P22455 FGFR4_HUMAN inhibitor 17943726 "Matsui J, Yamamoto Y, Funahashi Y, Tsuruoka A, Watanabe T, Wakabayashi T, Uenaka T, Asada M: E7080, a novel inhibitor that targets multiple kinases, has potent antitumor activities against stem cell factor producing human small cell lung cancer H146, based on angiogenesis inhibition. Int J Cancer. 2008 Feb 1;122(3):664-71." Approved; Investigational Quinoline carboxamides Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxamides "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O 22675 310265006 D09919 PA166153472 Lenvatinib CHEMBL1289601 1603296 DB09078 Lenvatinib BE0002411 RET P07949 RET_HUMAN inhibitor 17943726 "Matsui J, Yamamoto Y, Funahashi Y, Tsuruoka A, Watanabe T, Wakabayashi T, Uenaka T, Asada M: E7080, a novel inhibitor that targets multiple kinases, has potent antitumor activities against stem cell factor producing human small cell lung cancer H146, based on angiogenesis inhibition. Int J Cancer. 2008 Feb 1;122(3):664-71." Approved; Investigational Quinoline carboxamides Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxamides "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O 22675 310265006 D09919 PA166153472 Lenvatinib CHEMBL1289601 1603296 DB09078 Lenvatinib BE0000453 KIT P10721 KIT_HUMAN inhibitor 17943726 "Matsui J, Yamamoto Y, Funahashi Y, Tsuruoka A, Watanabe T, Wakabayashi T, Uenaka T, Asada M: E7080, a novel inhibitor that targets multiple kinases, has potent antitumor activities against stem cell factor producing human small cell lung cancer H146, based on angiogenesis inhibition. Int J Cancer. 2008 Feb 1;122(3):664-71." Approved; Investigational Quinoline carboxamides Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxamides "Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O 22675 310265006 D09919 PA166153472 Lenvatinib CHEMBL1289601 1603296 DB09079 Nintedanib BE0000029 FLT1 P17948 VGFR1_HUMAN inhibitor 18559524; 31016670 "Hilberg F, Roth GJ, Krssak M, Kautschitsch S, Sommergruber W, Tontsch-Grunt U, Garin-Chesa P, Bader G, Zoephel A, Quant J, Heckel A, Rettig WJ: BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res. 2008 Jun 15;68(12):4774-82. doi: 10.1158/0008-5472.CAN-07-6307.@@Wind S, Schmid U, Freiwald M, Marzin K, Lotz R, Ebner T, Stopfer P, Dallinger C: Clinical Pharmacokinetics and Pharmacodynamics of Nintedanib. Clin Pharmacokinet. 2019 Sep;58(9):1131-1147. doi: 10.1007/s40262-019-00766-0." Approved Indolecarboxylic acids Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives "Kinase Inhibitor; OCT1 substrates; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Enzyme Inhibitors; UGT1A1 Substrates; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Antifibrotic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors" COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1 22614 310265007 D10481 Nintedanib CHEMBL502835 1592737 DB09079 Nintedanib BE0002131 FGFR1 P11362 FGFR1_HUMAN inhibitor 18559524; 31016670 "Hilberg F, Roth GJ, Krssak M, Kautschitsch S, Sommergruber W, Tontsch-Grunt U, Garin-Chesa P, Bader G, Zoephel A, Quant J, Heckel A, Rettig WJ: BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res. 2008 Jun 15;68(12):4774-82. doi: 10.1158/0008-5472.CAN-07-6307.@@Wind S, Schmid U, Freiwald M, Marzin K, Lotz R, Ebner T, Stopfer P, Dallinger C: Clinical Pharmacokinetics and Pharmacodynamics of Nintedanib. Clin Pharmacokinet. 2019 Sep;58(9):1131-1147. doi: 10.1007/s40262-019-00766-0." Approved Indolecarboxylic acids Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives "Kinase Inhibitor; OCT1 substrates; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Enzyme Inhibitors; UGT1A1 Substrates; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Antifibrotic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors" COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1 22614 310265007 D10481 Nintedanib CHEMBL502835 1592737 DB09079 Nintedanib BE0000748 FGFR2 P21802 FGFR2_HUMAN inhibitor 18559524; 31016670 "Hilberg F, Roth GJ, Krssak M, Kautschitsch S, Sommergruber W, Tontsch-Grunt U, Garin-Chesa P, Bader G, Zoephel A, Quant J, Heckel A, Rettig WJ: BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res. 2008 Jun 15;68(12):4774-82. doi: 10.1158/0008-5472.CAN-07-6307.@@Wind S, Schmid U, Freiwald M, Marzin K, Lotz R, Ebner T, Stopfer P, Dallinger C: Clinical Pharmacokinetics and Pharmacodynamics of Nintedanib. Clin Pharmacokinet. 2019 Sep;58(9):1131-1147. doi: 10.1007/s40262-019-00766-0." Approved Indolecarboxylic acids Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives "Kinase Inhibitor; OCT1 substrates; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Enzyme Inhibitors; UGT1A1 Substrates; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Antifibrotic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors" COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1 22614 310265007 D10481 Nintedanib CHEMBL502835 1592737 DB09079 Nintedanib BE0000842 LCK P06239 LCK_HUMAN inhibitor 18559524; 31016670 "Hilberg F, Roth GJ, Krssak M, Kautschitsch S, Sommergruber W, Tontsch-Grunt U, Garin-Chesa P, Bader G, Zoephel A, Quant J, Heckel A, Rettig WJ: BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res. 2008 Jun 15;68(12):4774-82. doi: 10.1158/0008-5472.CAN-07-6307.@@Wind S, Schmid U, Freiwald M, Marzin K, Lotz R, Ebner T, Stopfer P, Dallinger C: Clinical Pharmacokinetics and Pharmacodynamics of Nintedanib. Clin Pharmacokinet. 2019 Sep;58(9):1131-1147. doi: 10.1007/s40262-019-00766-0." Approved Indolecarboxylic acids Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives "Kinase Inhibitor; OCT1 substrates; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Enzyme Inhibitors; UGT1A1 Substrates; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Antifibrotic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors" COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1 22614 310265007 D10481 Nintedanib CHEMBL502835 1592737 DB09079 Nintedanib BE0004315 LYN P07948 LYN_HUMAN inhibitor 18559524; 31016670 "Hilberg F, Roth GJ, Krssak M, Kautschitsch S, Sommergruber W, Tontsch-Grunt U, Garin-Chesa P, Bader G, Zoephel A, Quant J, Heckel A, Rettig WJ: BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res. 2008 Jun 15;68(12):4774-82. doi: 10.1158/0008-5472.CAN-07-6307.@@Wind S, Schmid U, Freiwald M, Marzin K, Lotz R, Ebner T, Stopfer P, Dallinger C: Clinical Pharmacokinetics and Pharmacodynamics of Nintedanib. Clin Pharmacokinet. 2019 Sep;58(9):1131-1147. doi: 10.1007/s40262-019-00766-0." Approved Indolecarboxylic acids Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives "Kinase Inhibitor; OCT1 substrates; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Enzyme Inhibitors; UGT1A1 Substrates; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Antifibrotic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors" COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1 22614 310265007 D10481 Nintedanib CHEMBL502835 1592737 DB09079 Nintedanib BE0000838 SRC P12931 SRC_HUMAN inhibitor 18559524; 31016670 "Hilberg F, Roth GJ, Krssak M, Kautschitsch S, Sommergruber W, Tontsch-Grunt U, Garin-Chesa P, Bader G, Zoephel A, Quant J, Heckel A, Rettig WJ: BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res. 2008 Jun 15;68(12):4774-82. doi: 10.1158/0008-5472.CAN-07-6307.@@Wind S, Schmid U, Freiwald M, Marzin K, Lotz R, Ebner T, Stopfer P, Dallinger C: Clinical Pharmacokinetics and Pharmacodynamics of Nintedanib. Clin Pharmacokinet. 2019 Sep;58(9):1131-1147. doi: 10.1007/s40262-019-00766-0." Approved Indolecarboxylic acids Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives "Kinase Inhibitor; OCT1 substrates; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Enzyme Inhibitors; UGT1A1 Substrates; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Antifibrotic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors" COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1 22614 310265007 D10481 Nintedanib CHEMBL502835 1592737 DB09085 Tetracaine BE0000739 RYR1 P21817 RYR1_HUMAN modulator 21624373; 20961976 "Laver DR, van Helden DF: Three independent mechanisms contribute to tetracaine inhibition of cardiac calcium release channels. J Mol Cell Cardiol. 2011 Sep;51(3):357-69. doi: 10.1016/j.yjmcc.2011.05.009. Epub 2011 May 19.@@Lanner JT, Georgiou DK, Joshi AD, Hamilton SL: Ryanodine receptors: structure, expression, molecular details, and function in calcium release. Cold Spring Harb Perspect Biol. 2010 Nov;2(11):a003996. doi: 10.1101/cshperspect.a003996. Epub 2010 Oct 20." Approved; Vet_approved Benzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Sensory System Agents; Anesthetics, General; Esters of Aminobenzoic Acid; Dermatologicals; Benzene Derivatives; Dental Agents; Central Nervous System Depressants; Benzoates; Antipruritics and Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Aminobenzoates; Local Anesthesia; Anesthetics, Local; Acids, Carbocyclic; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Anesthetics for Topical Use; Ophthalmologicals; Central Nervous System Agents; Nervous System; Sensory Organs; Vasoprotectives" CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C 2958 310265012 D00551 PA451638 Tetracaine CHEMBL698 10391 DB09085 Tetracaine BE0005295 RYR2 Q92736 RYR2_HUMAN modulator 21624373; 20961976 "Laver DR, van Helden DF: Three independent mechanisms contribute to tetracaine inhibition of cardiac calcium release channels. J Mol Cell Cardiol. 2011 Sep;51(3):357-69. doi: 10.1016/j.yjmcc.2011.05.009. Epub 2011 May 19.@@Lanner JT, Georgiou DK, Joshi AD, Hamilton SL: Ryanodine receptors: structure, expression, molecular details, and function in calcium release. Cold Spring Harb Perspect Biol. 2010 Nov;2(11):a003996. doi: 10.1101/cshperspect.a003996. Epub 2010 Oct 20." Approved; Vet_approved Benzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Sensory System Agents; Anesthetics, General; Esters of Aminobenzoic Acid; Dermatologicals; Benzene Derivatives; Dental Agents; Central Nervous System Depressants; Benzoates; Antipruritics and Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Aminobenzoates; Local Anesthesia; Anesthetics, Local; Acids, Carbocyclic; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Anesthetics for Topical Use; Ophthalmologicals; Central Nervous System Agents; Nervous System; Sensory Organs; Vasoprotectives" CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C 2958 310265012 D00551 PA451638 Tetracaine CHEMBL698 10391 DB09085 Tetracaine BE0009738 SCN1A Q15858 SCN9A_HUMAN blocker 22053156; 23888118 "Fozzard HA, Sheets MF, Hanck DA: The sodium channel as a target for local anesthetic drugs. Front Pharmacol. 2011 Nov 1;2:68. doi: 10.3389/fphar.2011.00068. eCollection 2011.@@Gammaitoni AR, Goitz HT, Marsh S, Marriott TB, Galer BS: Heated lidocaine/tetracaine patch for treatment of patellar tendinopathy pain. J Pain Res. 2013 Jul 19;6:565-70. doi: 10.2147/JPR.S46239. Print 2013." Approved; Vet_approved Benzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Sensory System Agents; Anesthetics, General; Esters of Aminobenzoic Acid; Dermatologicals; Benzene Derivatives; Dental Agents; Central Nervous System Depressants; Benzoates; Antipruritics and Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Aminobenzoates; Local Anesthesia; Anesthetics, Local; Acids, Carbocyclic; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Anesthetics for Topical Use; Ophthalmologicals; Central Nervous System Agents; Nervous System; Sensory Organs; Vasoprotectives" CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C 2958 310265012 D00551 PA451638 Tetracaine CHEMBL698 10391 DB09086 Eugenol BE0000123 ESR1 P03372 ESR1_HUMAN 12495555 "Howes MJ, Houghton PJ, Barlow DJ, Pocock VJ, Milligan SR: Assessment of estrogenic activity in some common essential oil constituents. J Pharm Pharmacol. 2002 Nov;54(11):1521-8." Approved Methoxyphenols Organic compounds; Benzenoids; Phenols; Methoxyphenols "Hydrocarbons, Acyclic; Caffeic Acids; Anti-Infective Agents; Cell-mediated Immunity; Alkenes; Acids, Carbocyclic; Allyl Compounds; Allylbenzene Derivatives; Cinnamates; Benzene Derivatives; Standardized Chemical Allergen; Solvents; Increased Histamine Release; Compounds used in a research, industrial, or household setting" COC1=C(O)C=CC(CC=C)=C1 9699 310265013 Eugenol CHEMBL42710 4186 DB09086 Eugenol BE0000792 ESR2 Q92731 ESR2_HUMAN 12495555 "Howes MJ, Houghton PJ, Barlow DJ, Pocock VJ, Milligan SR: Assessment of estrogenic activity in some common essential oil constituents. J Pharm Pharmacol. 2002 Nov;54(11):1521-8." Approved Methoxyphenols Organic compounds; Benzenoids; Phenols; Methoxyphenols "Hydrocarbons, Acyclic; Caffeic Acids; Anti-Infective Agents; Cell-mediated Immunity; Alkenes; Acids, Carbocyclic; Allyl Compounds; Allylbenzene Derivatives; Cinnamates; Benzene Derivatives; Standardized Chemical Allergen; Solvents; Increased Histamine Release; Compounds used in a research, industrial, or household setting" COC1=C(O)C=CC(CC=C)=C1 9699 310265013 Eugenol CHEMBL42710 4186 DB09086 Eugenol BE0000132 AR P10275 ANDR_HUMAN antagonist 20226658 "Ogawa Y, Akamatsu M, Hotta Y, Hosoda A, Tamura H: Effect of essential oils, such as raspberry ketone and its derivatives, on antiandrogenic activity based on in vitro reporter gene assay. Bioorg Med Chem Lett. 2010 Apr 1;20(7):2111-4. doi: 10.1016/j.bmcl.2010.02.059. Epub 2010 Feb 21." Approved Methoxyphenols Organic compounds; Benzenoids; Phenols; Methoxyphenols "Hydrocarbons, Acyclic; Caffeic Acids; Anti-Infective Agents; Cell-mediated Immunity; Alkenes; Acids, Carbocyclic; Allyl Compounds; Allylbenzene Derivatives; Cinnamates; Benzene Derivatives; Standardized Chemical Allergen; Solvents; Increased Histamine Release; Compounds used in a research, industrial, or household setting" COC1=C(O)C=CC(CC=C)=C1 9699 310265013 Eugenol CHEMBL42710 4186 DB09088 Amylocaine BE0009738 SCN1A Q15858 SCN9A_HUMAN blocker 2157353; 22053156 "Butterworth JF 4th, Strichartz GR: Molecular mechanisms of local anesthesia: a review. Anesthesiology. 1990 Apr;72(4):711-34.@@Fozzard HA, Sheets MF, Hanck DA: The sodium channel as a target for local anesthetic drugs. Front Pharmacol. 2011 Nov 1;2:68. doi: 10.3389/fphar.2011.00068. eCollection 2011." Approved; Withdrawn Benzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Acids, Carbocyclic; Benzene Derivatives" CCC(C)(CN(C)C)OC(=O)C1=CC=CC=C1 6734 310265015 D07454 Amylocaine CHEMBL1740065 40660 DB09089 Trimebutine BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 1963196 "Kaneto H, Takahashi M, Watanabe J: The opioid receptor selectivity for trimebutine in isolated tissues experiments and receptor binding studies. J Pharmacobiodyn. 1990 Jul;13(7):448-53." Approved Gallic acid and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Hydroxybenzoate Ethers; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hydroxybenzoates; Agents producing tachycardia; Benzene Derivatives; Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Benzoates; Hydroxy Acids; Calcium Channel Blockers; Phenols; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Potential QTc-Prolonging Agents; Anticholinergic Agents; Acids, Carbocyclic; Prokinetic Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Phenyl Ethers; Antiarrhythmic agents; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Bradycardia-Causing Agents" CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1 1925 310265016 Trimebutine CHEMBL190044 10819 DB09089 Trimebutine BE0008715 CACNA1C O00555 CAC1A_HUMAN inhibitor 8220900; 26424038 "Nagasaki M, Komori S, Ohashi H: Effect of trimebutine on voltage-activated calcium current in rabbit ileal smooth muscle cells. Br J Pharmacol. 1993 Sep;110(1):399-403.@@Radulovic M, Anand P, Korsten MA, Gong B: Targeting Ion Channels: An Important Therapeutic Implication in Gastrointestinal Dysmotility in Patients With Spinal Cord Injury. J Neurogastroenterol Motil. 2015 Oct 1;21(4):494-502. doi: 10.5056/jnm15061." Approved Gallic acid and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Hydroxybenzoate Ethers; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hydroxybenzoates; Agents producing tachycardia; Benzene Derivatives; Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Benzoates; Hydroxy Acids; Calcium Channel Blockers; Phenols; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Potential QTc-Prolonging Agents; Anticholinergic Agents; Acids, Carbocyclic; Prokinetic Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Phenyl Ethers; Antiarrhythmic agents; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Bradycardia-Causing Agents" CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1 1925 310265016 Trimebutine CHEMBL190044 10819 DB09089 Trimebutine BE0004906 KCNMA1 Q9UGI6 KCNN3_HUMAN inhibitor 26424038; 21725804 "Radulovic M, Anand P, Korsten MA, Gong B: Targeting Ion Channels: An Important Therapeutic Implication in Gastrointestinal Dysmotility in Patients With Spinal Cord Injury. J Neurogastroenterol Motil. 2015 Oct 1;21(4):494-502. doi: 10.5056/jnm15061.@@Lee HT, Kim BJ: Trimebutine as a modulator of gastrointestinal motility. Arch Pharm Res. 2011 Jun;34(6):861-4. doi: 10.1007/s12272-011-0600-7." Approved Gallic acid and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Hydroxybenzoate Ethers; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hydroxybenzoates; Agents producing tachycardia; Benzene Derivatives; Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Benzoates; Hydroxy Acids; Calcium Channel Blockers; Phenols; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Potential QTc-Prolonging Agents; Anticholinergic Agents; Acids, Carbocyclic; Prokinetic Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Phenyl Ethers; Antiarrhythmic agents; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Bradycardia-Causing Agents" CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1 1925 310265016 Trimebutine CHEMBL190044 10819 DB09089 Trimebutine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 8822036 "Eglen RM, Watson N: Selective muscarinic receptor agonists and antagonists. Pharmacol Toxicol. 1996 Feb;78(2):59-68." Approved Gallic acid and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Hydroxybenzoate Ethers; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hydroxybenzoates; Agents producing tachycardia; Benzene Derivatives; Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Benzoates; Hydroxy Acids; Calcium Channel Blockers; Phenols; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Potential QTc-Prolonging Agents; Anticholinergic Agents; Acids, Carbocyclic; Prokinetic Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Phenyl Ethers; Antiarrhythmic agents; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Bradycardia-Causing Agents" CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1 1925 310265016 Trimebutine CHEMBL190044 10819 DB09089 Trimebutine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 8822036 "Eglen RM, Watson N: Selective muscarinic receptor agonists and antagonists. Pharmacol Toxicol. 1996 Feb;78(2):59-68." Approved Gallic acid and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Hydroxybenzoate Ethers; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hydroxybenzoates; Agents producing tachycardia; Benzene Derivatives; Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Benzoates; Hydroxy Acids; Calcium Channel Blockers; Phenols; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Potential QTc-Prolonging Agents; Anticholinergic Agents; Acids, Carbocyclic; Prokinetic Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Phenyl Ethers; Antiarrhythmic agents; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Bradycardia-Causing Agents" CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1 1925 310265016 Trimebutine CHEMBL190044 10819 DB09089 Trimebutine BE0008716 CACNA1G Q9P0X4 CAC1I_HUMAN activator 26424038 "Radulovic M, Anand P, Korsten MA, Gong B: Targeting Ion Channels: An Important Therapeutic Implication in Gastrointestinal Dysmotility in Patients With Spinal Cord Injury. J Neurogastroenterol Motil. 2015 Oct 1;21(4):494-502. doi: 10.5056/jnm15061." Approved Gallic acid and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Hydroxybenzoate Ethers; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hydroxybenzoates; Agents producing tachycardia; Benzene Derivatives; Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Benzoates; Hydroxy Acids; Calcium Channel Blockers; Phenols; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Potential QTc-Prolonging Agents; Anticholinergic Agents; Acids, Carbocyclic; Prokinetic Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Phenyl Ethers; Antiarrhythmic agents; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Bradycardia-Causing Agents" CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1 1925 310265016 Trimebutine CHEMBL190044 10819 DB09090 Pinaverium BE0002355 CACNA1S Q13698 CAC1S_HUMAN antagonist 19416978; 1313732 "Tikhonov DB, Zhorov BS: Structural model for dihydropyridine binding to L-type calcium channels. J Biol Chem. 2009 Jul 10;284(28):19006-17. doi: 10.1074/jbc.M109.011296. Epub 2009 May 5.@@Feron O, Wibo M, Christen MO, Godfraind T: Interaction of pinaverium (a quaternary ammonium compound) with 1,4-dihydropyridine binding sites in rat ileum smooth muscle. Br J Pharmacol. 1992 Feb;105(2):480-4." Approved Bicyclic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Oxazines; Miscellaneous GI Drugs; Membrane Transport Modulators; Alimentary Tract and Metabolism; Potential QTc-Prolonging Agents; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Parasympatholytics; Antiarrhythmic agents; Drugs for Functional Gastrointestinal Disorders; Bradycardia-Causing Agents COC1=C(OC)C=C(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)C(Br)=C1 2097 310265017 Pinaverium_bromide CHEMBL1909324 33724 DB09091 Tixocortol BE0000794 NR3C1 P04150 GCR_HUMAN binder 16604091 Barnes PJ: How corticosteroids control inflammation: Quintiles Prize Lecture 2005. Br J Pharmacol. 2006 Jun;148(3):245-54. doi: 10.1038/sj.bjp.0706736. Approved; Withdrawn "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Allergic Agents; Pregnenes; 17-Hydroxycorticosteroids; Increased Histamine Release; Cell-mediated Immunity; Corticosteroids Acting Locally; Hydroxycorticosteroids; Drugs that are Mainly Renally Excreted; Steroids; 11-Hydroxycorticosteroids; Nasal Preparations; Alimentary Tract and Metabolism; Hormones; Fused-Ring Compounds; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Standardized Chemical Allergen; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Corticosteroids; Pregnenediones; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)CS)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7505 310265018 Tixocortol 57257 DB09091 Tixocortol BE0002366 HDAC2 Q92769 HDAC2_HUMAN stimulator 16604091 Barnes PJ: How corticosteroids control inflammation: Quintiles Prize Lecture 2005. Br J Pharmacol. 2006 Jun;148(3):245-54. doi: 10.1038/sj.bjp.0706736. Approved; Withdrawn "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Allergic Agents; Pregnenes; 17-Hydroxycorticosteroids; Increased Histamine Release; Cell-mediated Immunity; Corticosteroids Acting Locally; Hydroxycorticosteroids; Drugs that are Mainly Renally Excreted; Steroids; 11-Hydroxycorticosteroids; Nasal Preparations; Alimentary Tract and Metabolism; Hormones; Fused-Ring Compounds; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Standardized Chemical Allergen; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Corticosteroids; Pregnenediones; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)CS)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7505 310265018 Tixocortol 57257 DB09092 Xanthinol BE0000008 NNT Q13423 NNTM_HUMAN cofactor 3936095 "Loriaux SM, Deijen JB, Orlebeke JF, De Swart JH: The effects of nicotinic acid and xanthinol nicotinate on human memory in different categories of age. A double blind study. Psychopharmacology (Berl). 1985;87(4):390-5." Approved; Withdrawn Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Purines; Vasodilating Agents; Purinones; Nicotinic Acids; Purine Derivatives; Pyridines" CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C 5957 310265019 Xanthinol CHEMBL1624126 89795 DB09092 Xanthinol BE0000011 IDH3A P50213 IDH3A_HUMAN cofactor 3936095 "Loriaux SM, Deijen JB, Orlebeke JF, De Swart JH: The effects of nicotinic acid and xanthinol nicotinate on human memory in different categories of age. A double blind study. Psychopharmacology (Berl). 1985;87(4):390-5." Approved; Withdrawn Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Purines; Vasodilating Agents; Purinones; Nicotinic Acids; Purine Derivatives; Pyridines" CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C 5957 310265019 Xanthinol CHEMBL1624126 89795 DB09092 Xanthinol BE0000162 OGDH Q02218 ODO1_HUMAN cofactor 3936095 "Loriaux SM, Deijen JB, Orlebeke JF, De Swart JH: The effects of nicotinic acid and xanthinol nicotinate on human memory in different categories of age. A double blind study. Psychopharmacology (Berl). 1985;87(4):390-5." Approved; Withdrawn Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Purines; Vasodilating Agents; Purinones; Nicotinic Acids; Purine Derivatives; Pyridines" CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C 5957 310265019 Xanthinol CHEMBL1624126 89795 DB09092 Xanthinol BE0000780 MDH2 P40926 MDHM_HUMAN cofactor 3936095 "Loriaux SM, Deijen JB, Orlebeke JF, De Swart JH: The effects of nicotinic acid and xanthinol nicotinate on human memory in different categories of age. A double blind study. Psychopharmacology (Berl). 1985;87(4):390-5." Approved; Withdrawn Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Purines; Vasodilating Agents; Purinones; Nicotinic Acids; Purine Derivatives; Pyridines" CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C 5957 310265019 Xanthinol CHEMBL1624126 89795 DB09093 Chlortetracycline BE0009441 EPHB1 P54762 EPHB1_HUMAN inhibitor 33627480 "Ahmed MS, Wang P, Nguyen NUN, Nakada Y, Menendez-Montes I, Ismail M, Bachoo R, Henkemeyer M, Sadek HA, Kandil ES: Identification of tetracycline combinations as EphB1 tyrosine kinase inhibitors for treatment of neuropathic pain. Proc Natl Acad Sci U S A. 2021 Mar 9;118(10). pii: 2016265118. doi: 10.1073/pnas.2016265118." Approved; Investigational; Vet_approved Tetracyclines Organic compounds; Phenylpropanoids and polyketides; Tetracyclines Agents that produce neuromuscular block (indirect); Enzyme Inhibitors; Naphthacenes; Anti-Bacterial Agents; Dermatologicals; Antiinfectives for Systemic Use; Antiinfectives and Antiseptics for Local Oral Treatment; Protein Synthesis Inhibitors; Antiprotozoals; Stomatological Preparations; Alimentary Tract and Metabolism; Antibacterials for Systemic Use; Antiparasitic Agents; Anti-Infective Agents; Ophthalmologicals; Antibiotics for Topical Use; Tetracyclines; Sensory Organs [H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC(Cl)=C1[C@@]3(C)O 8668 310265020 D07689 Chlortetracycline CHEMBL404520 2408 DB09095 Difluocortolone BE0003201 ANXA3 P12429 ANXA3_HUMAN inducer 23213332 "Uva L, Miguel D, Pinheiro C, Antunes J, Cruz D, Ferreira J, Filipe P: Mechanisms of action of topical corticosteroids in psoriasis. Int J Endocrinol. 2012;2012:561018. doi: 10.1155/2012/561018. Epub 2012 Nov 5." Approved; Investigational; Withdrawn 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Pregnadienediols; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C 7507 310265022 Diflucortolone CHEMBL509924 3392 DB09095 Difluocortolone BE0000794 NR3C1 P04150 GCR_HUMAN binder 23213332 "Uva L, Miguel D, Pinheiro C, Antunes J, Cruz D, Ferreira J, Filipe P: Mechanisms of action of topical corticosteroids in psoriasis. Int J Endocrinol. 2012;2012:561018. doi: 10.1155/2012/561018. Epub 2012 Nov 5." Approved; Investigational; Withdrawn 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Pregnadienediols; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C 7507 310265022 Diflucortolone CHEMBL509924 3392 DB09096 Benzoyl peroxide BE0001207 CAT P04040 CATA_HUMAN inhibitor 10753220 "Zhao J, Lahiri-Chatterjee M, Sharma Y, Agarwal R: Inhibitory effect of a flavonoid antioxidant silymarin on benzoyl peroxide-induced tumor promotion, oxidative stress and inflammatory responses in SENCAR mouse skin. Carcinogenesis. 2000 Apr;21(4):811-6. doi: 10.1093/carcin/21.4.811." Approved Benzoyl peroxides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl peroxides "Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Peroxides; Benzoates; Acids, Carbocyclic; Dermatologicals; Benzene Derivatives; Keratolytic Agents" O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 6850 310265023 D03093 Benzoyl_peroxide CHEMBL1200370 1418 DB09096 Benzoyl peroxide BE0000448 AZIN2 Q96A70 AZIN2_HUMAN activator 11243713; 11039327 "Saleem M, Alam A, Arifin S, Shah MS, Ahmed B, Sultana S: Lupeol, a triterpene, inhibits early responses of tumor promotion induced by benzoyl peroxide in murine skin. Pharmacol Res. 2001 Feb;43(2):127-34. doi: 10.1006/phrs.2000.0710.@@Saleem M, Alam A, Sultana S: Attenuation of benzoyl peroxide-mediated cutaneous oxidative stress and hyperproliferative response by the prophylactic treatment of mice with spearmint (Mentha spicata). Food Chem Toxicol. 2000 Oct;38(10):939-48. doi: 10.1016/s0278-6915(00)00088-0." Approved Benzoyl peroxides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl peroxides "Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Peroxides; Benzoates; Acids, Carbocyclic; Dermatologicals; Benzene Derivatives; Keratolytic Agents" O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 6850 310265023 D03093 Benzoyl_peroxide CHEMBL1200370 1418 DB09096 Benzoyl peroxide BE0004895 PRKCA Q05513 KPCZ_HUMAN inhibitor 10068446; 8204465 "Gopalakrishna R, Gundimeda U, Anderson WB, Colburn NH, Slaga TJ: Tumor promoter benzoyl peroxide induces sulfhydryl oxidation in protein kinase C: its reversibility is related to the cellular resistance to peroxide-induced cytotoxicity. Arch Biochem Biophys. 1999 Mar 15;363(2):246-58. doi: 10.1006/abbi.1999.1100.@@Hegemann L, Toso SM, Kitay K, Webster GF: Anti-inflammatory actions of benzoyl peroxide: effects on the generation of reactive oxygen species by leucocytes and the activity of protein kinase C and calmodulin. Br J Dermatol. 1994 May;130(5):569-75. doi: 10.1111/j.1365-2133.1994.tb13101.x." Approved Benzoyl peroxides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl peroxides "Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Peroxides; Benzoates; Acids, Carbocyclic; Dermatologicals; Benzene Derivatives; Keratolytic Agents" O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 6850 310265023 D03093 Benzoyl_peroxide CHEMBL1200370 1418 DB09096 Benzoyl peroxide BE0010057 SOD3 P04179 SODM_HUMAN inhibitor 10753220 "Zhao J, Lahiri-Chatterjee M, Sharma Y, Agarwal R: Inhibitory effect of a flavonoid antioxidant silymarin on benzoyl peroxide-induced tumor promotion, oxidative stress and inflammatory responses in SENCAR mouse skin. Carcinogenesis. 2000 Apr;21(4):811-6. doi: 10.1093/carcin/21.4.811." Approved Benzoyl peroxides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl peroxides "Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Peroxides; Benzoates; Acids, Carbocyclic; Dermatologicals; Benzene Derivatives; Keratolytic Agents" O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 6850 310265023 D03093 Benzoyl_peroxide CHEMBL1200370 1418 DB09098 Somatrem BE0000075 GHR P10912 GHR_HUMAN agonist Approved; Investigational; Withdrawn Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Growth Hormone; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Peptide Hormones; Somatropin and Somatropin Agonists; Peptides; Anterior Pituitary Lobe Hormones and Analogues; Pituitary Hormones, Anterior; Pituitary Hormones; Amino Acids, Peptides, and Proteins; Pituitary and Hypothalamic Hormones and Analogues; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 7359 347910403 D05884 Somatrem 56570 DB09098 Somatrem BE0000858 IGF1R P08069 IGF1R_HUMAN Approved; Investigational; Withdrawn Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Growth Hormone; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Peptide Hormones; Somatropin and Somatropin Agonists; Peptides; Anterior Pituitary Lobe Hormones and Analogues; Pituitary Hormones, Anterior; Pituitary Hormones; Amino Acids, Peptides, and Proteins; Pituitary and Hypothalamic Hormones and Analogues; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 7359 347910403 D05884 Somatrem 56570 DB09100 "Thyroid, porcine" BE0000687 THRA P10827 THA_HUMAN substrate 25135573 "Ortiga-Carvalho TM, Sidhaye AR, Wondisford FE: Thyroid hormone receptors and resistance to thyroid hormone disorders. Nat Rev Endocrinol. 2014 Oct;10(10):582-91. doi: 10.1038/nrendo.2014.143. Epub 2014 Aug 19." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Thyroid Products; Agents used to treat hypothyroidism 6617 347910404 235479 DB09100 "Thyroid, porcine" BE0000315 THRB P10828 THB_HUMAN substrate 25135573 "Ortiga-Carvalho TM, Sidhaye AR, Wondisford FE: Thyroid hormone receptors and resistance to thyroid hormone disorders. Nat Rev Endocrinol. 2014 Oct;10(10):582-91. doi: 10.1038/nrendo.2014.143. Epub 2014 Aug 19." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Thyroid Products; Agents used to treat hypothyroidism 6617 347910404 235479 DB09103 Ancestim BE0000453 KIT P10721 KIT_HUMAN agonist 15526160 Ronnstrand L: Signal transduction via the stem cell factor receptor/c-Kit. Cell Mol Life Sci. 2004 Oct;61(19-20):2535-48. doi: 10.1007/s00018-004-4189-6. Approved; Investigational; Withdrawn Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antineoplastic and Immunomodulating Agents; Biological Factors; Colony-Stimulating Factors; Intercellular Signaling Peptides and Proteins; Peptides; Adjuvants, Immunologic; Proteins; Cytokines; Drugs that are Mainly Renally Excreted; Hematopoietic Cell Growth Factors; Amino Acids, Peptides, and Proteins" 11881 347910405 Ancestim 140502 DB09108 Simoctocog alfa BE0001043 VWF P04275 VWF_HUMAN binding Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Carbohydrates; Proteins; Glycoconjugates; Amino Acids, Peptides, and Proteins" 22528 347910409 Factor_VIII_(medication) 1729084 DB09109 Turoctocog alfa BE0000216 F10 P00742 FA10_HUMAN activator 24797664; 26761578 "Ezban M, Vad K, Kjalke M: Turoctocog alfa (NovoEight(R))--from design to clinical proof of concept. Eur J Haematol. 2014 Nov;93(5):369-76. doi: 10.1111/ejh.12366. Epub 2014 May 28.@@Ahmadian H, Hansen EB, Faber JH, Sejergaard L, Karlsson J, Bolt G, Hansen JJ, Thim L: Molecular design and downstream processing of turoctocog alfa (NovoEight), a B-domain truncated factor VIII molecule. Blood Coagul Fibrinolysis. 2016 Jul;27(5):568-75. doi: 10.1097/MBC.0000000000000477." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Biological Factors; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 22548 347910410 Turoctocog_alfa 1737557 DB09112 Nitrous acid BE0004467 MB P02144 MYG_HUMAN oxidizer 1569239 "Baskin SI, Horowitz AM, Nealley EW: The antidotal action of sodium nitrite and sodium thiosulfate against cyanide poisoning. J Clin Pharmacol. 1992 Apr;32(4):368-75." Approved; Investigational "Nitrogen Compounds; Acids; Food Ingredients; Electrolytes; Hypotensive Agents; Indicators and Reagents; Sodium Compounds; Nitrites; Anions; Antidotes; Ions; Diet, Food, and Nutrition; Food; Laboratory Chemicals; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Food Preservatives; Food Additives; Acids, Noncarboxylic" ON=O 9134 310265030 PA166115361 Nitrous_acid CHEMBL1161681 DB09118 Stiripentol BE0000068 LDHB P07195 LDHB_HUMAN inhibitor 25792327 "Sada N, Lee S, Katsu T, Otsuki T, Inoue T: Epilepsy treatment. Targeting LDH enzymes with a stiripentol analog to treat epilepsy. Science. 2015 Mar 20;347(6228):1362-7. doi: 10.1126/science.aaa1299." Approved Benzodioxoles Organic compounds; Organoheterocyclic compounds; Benzodioxoles Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Dioxoles; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CC(C)(C)C(O)\C=C\C1=CC2=C(OCO2)C=C1 21532 310265035 Stiripentol CHEMBL1983350 2054968 DB09121 Aurothioglucose BE0000269 ADCY1 Q08828 ADCY1_HUMAN Approved; Withdrawn Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Organogold Compounds; Organometallic Compounds; Musculo-Skeletal System; Gold Preparations; Specific Antirheumatic Agents; Antiinflammatory and Antirheumatic Products; Drugs that are Mainly Renally Excreted; Antirheumatic Agents OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O 1247 310265038 D00991 Aurothioglucose 4980 DB09121 Aurothioglucose BE0003732 ADCY2 Q08462 ADCY2_HUMAN Approved; Withdrawn Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Organogold Compounds; Organometallic Compounds; Musculo-Skeletal System; Gold Preparations; Specific Antirheumatic Agents; Antiinflammatory and Antirheumatic Products; Drugs that are Mainly Renally Excreted; Antirheumatic Agents OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O 1247 310265038 D00991 Aurothioglucose 4980 DB09121 Aurothioglucose BE0003733 ADCY5 O95622 ADCY5_HUMAN Approved; Withdrawn Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Organogold Compounds; Organometallic Compounds; Musculo-Skeletal System; Gold Preparations; Specific Antirheumatic Agents; Antiinflammatory and Antirheumatic Products; Drugs that are Mainly Renally Excreted; Antirheumatic Agents OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O 1247 310265038 D00991 Aurothioglucose 4980 DB09122 Peginterferon beta-1a BE0000661 IFNAR1 P17181 INAR1_HUMAN activator 25265472; 2441659; 27348209; 25187030; 3068316 "Hu X, Cui Y, White J, Zhu Y, Deykin A, Nestorov I, Hung S: Pharmacokinetics and pharmacodynamics of peginterferon beta-1a in patients with relapsing-remitting multiple sclerosis in the randomized ADVANCE study. Br J Clin Pharmacol. 2015 Mar;79(3):514-22. doi: 10.1111/bcp.12521.@@Pestka S, Langer JA, Zoon KC, Samuel CE: Interferons and their actions. Annu Rev Biochem. 1987;56:727-77. doi: 10.1146/annurev.bi.56.070187.003455.@@Mastrangeli R, Iozzino L, Lanzoni L, Angiuoni G, Ferrao C, Izzo A, Fiumi S, Camerini F, Mascia M, Palinsky W, Bierau H: Biological Functions of Interferon beta-1a Are Enhanced By Deamidation. J Interferon Cytokine Res. 2016 Sep;36(9):534-41. doi: 10.1089/jir.2016.0025. Epub 2016 Jun 27.@@Hu X, Seddighzadeh A, Stecher S, Zhu Y, Goyal J, Matson M, Marbury T, Smith W, Nestorov I, Hung S: Pharmacokinetics, pharmacodynamics, and safety of peginterferon beta-1a in subjects with normal or impaired renal function. J Clin Pharmacol. 2015 Feb;55(2):179-88. doi: 10.1002/jcph.390. Epub 2014 Sep 23.@@Liberati AM, Fizzotti M, Proietti MG, Di Marzio R, Schippa M, Biscottini B, Senatore M, Berruto P, Canali S, Peretti G, et al.: Biochemical host response to interferon-beta. J Interferon Res. 1988 Dec;8(6):765-77. doi: 10.1089/jir.1988.8.765." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Biological Factors; Intercellular Signaling Peptides and Proteins; Polymers; Peptides; Adjuvants, Immunologic; Interferon Type I; Proteins; Macromolecular Substances; Interferon-beta; Interferons; Pegylated agents; Amino Acids, Peptides, and Proteins; Compounds used in a research, industrial, or household setting" 22631 347910413 D10483 Peginterferon_beta-1a 1546168 DB09123 Dienogest BE0000557 PGR P06401 PRGR_HUMAN agonist 18061638 "Sasagawa S, Shimizu Y, Kami H, Takeuchi T, Mita S, Imada K, Kato S, Mizuguchi K: Dienogest is a selective progesterone receptor agonist in transactivation analysis with potent oral endometrial activity due to its efficient pharmacokinetic profile. Steroids. 2008 Feb;73(2):222-31. Epub 2007 Oct 22." Approved Oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids "Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Hormone Antagonists; Progestins; Estrenes; Contraceptive Agents, Male; Cytochrome P-450 Substrates; Estranes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Steroids; Antineoplastic Agents; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Gonadal Steroid Hormones; Pregnadien Derivatives; Antineoplastic Agents, Hormonal; Combination Contraceptives (with Estrogen and derivatives); Contraceptive Agents, Female; Testosterone Congeners; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H] 21018 310265039 Dienogest CHEMBL1201864 22968 DB09123 Dienogest BE0000132 AR P10275 ANDR_HUMAN antagonist 18061638 "Sasagawa S, Shimizu Y, Kami H, Takeuchi T, Mita S, Imada K, Kato S, Mizuguchi K: Dienogest is a selective progesterone receptor agonist in transactivation analysis with potent oral endometrial activity due to its efficient pharmacokinetic profile. Steroids. 2008 Feb;73(2):222-31. Epub 2007 Oct 22." Approved Oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids "Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Hormone Antagonists; Progestins; Estrenes; Contraceptive Agents, Male; Cytochrome P-450 Substrates; Estranes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Steroids; Antineoplastic Agents; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Gonadal Steroid Hormones; Pregnadien Derivatives; Antineoplastic Agents, Hormonal; Combination Contraceptives (with Estrogen and derivatives); Contraceptive Agents, Female; Testosterone Congeners; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H] 21018 310265039 Dienogest CHEMBL1201864 22968 DB09124 Medrogestone BE0000557 PGR P06401 PRGR_HUMAN ligand Approved; Withdrawn "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Pregnadien Derivatives; Cytochrome P-450 CYP3A Substrates; Progestogens and Estrogens, Sequential Preparations; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Pregnadienes; Cytochrome P-450 CYP3A4 Substrates; Steroids; Progestins; Pregnanes" [H][C@@]12CC[C@](C)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C 7536 310265040 Medrogestone CHEMBL2106825 6690 DB09126 Chorionic Gonadotropin (Human) BE0000134 LHCGR P22888 LSHR_HUMAN ligand Approved; Vet_approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Fertility Agents, Female; Pregnancy Proteins; Amino Acids, Peptides, and Proteins; Gonadotropins, Pituitary; Chorionic Gonadotropin; Gonadotropins; Proteins; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Fertility Agents; Hormones; Complex Mixtures; Peptides; Gonadotropins and Antigonadotropins; Placental Hormones; Biological Products; Peptide Hormones; Pituitary Hormones, Anterior; Pituitary Hormones; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" 7358 347910414 D06457 Human_chorionic_gonadotropin CHEMBL1201509 340705 DB09128 Brexpiprazole BE0000581 DRD3 P35462 DRD3_HUMAN partial agonist Approved; Investigational N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Dopamine D2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; MATE inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Serotonin Agents; MATE 2 Inhibitors; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Quinolines; Dopamine Agents" O=C1NC2=CC(OCCCCN3CCN(CC3)C3=C4C=CSC4=CC=C3)=CC=C2C=C1 22853 310265043 D10309 PA166160053 Brexpiprazole CHEMBL2105760 1658314 DB09128 Brexpiprazole BE0000393 HTR2B P41595 5HT2B_HUMAN antagonist 26310190 Greig SL: Brexpiprazole: First Global Approval. Drugs. 2015 Sep;75(14):1687-97. doi: 10.1007/s40265-015-0462-2. Approved; Investigational N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Dopamine D2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; MATE inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Serotonin Agents; MATE 2 Inhibitors; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Quinolines; Dopamine Agents" O=C1NC2=CC(OCCCCN3CCN(CC3)C3=C4C=CSC4=CC=C3)=CC=C2C=C1 22853 310265043 D10309 PA166160053 Brexpiprazole CHEMBL2105760 1658314 DB09128 Brexpiprazole BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 26310190 Greig SL: Brexpiprazole: First Global Approval. Drugs. 2015 Sep;75(14):1687-97. doi: 10.1007/s40265-015-0462-2. Approved; Investigational N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Dopamine D2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; MATE inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Serotonin Agents; MATE 2 Inhibitors; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Quinolines; Dopamine Agents" O=C1NC2=CC(OCCCCN3CCN(CC3)C3=C4C=CSC4=CC=C3)=CC=C2C=C1 22853 310265043 D10309 PA166160053 Brexpiprazole CHEMBL2105760 1658314 DB09128 Brexpiprazole BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist Approved; Investigational N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Dopamine D2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; MATE inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Serotonin Agents; MATE 2 Inhibitors; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Quinolines; Dopamine Agents" O=C1NC2=CC(OCCCCN3CCN(CC3)C3=C4C=CSC4=CC=C3)=CC=C2C=C1 22853 310265043 D10309 PA166160053 Brexpiprazole CHEMBL2105760 1658314 DB09128 Brexpiprazole BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 26913177; 29955525; 26310190 "Das S, Barnwal P, Winston A B, Mondal S, Saha I: Brexpiprazole: so far so good. Ther Adv Psychopharmacol. 2016 Feb;6(1):39-54. doi: 10.1177/2045125315614739.@@Diefenderfer LA, Iuppa C: Brexpiprazole: A review of a new treatment option for schizophrenia and major depressive disorder. Ment Health Clin. 2018 Mar 23;7(5):207-212. doi: 10.9740/mhc.2017.09.207. eCollection 2017 Sep.@@Greig SL: Brexpiprazole: First Global Approval. Drugs. 2015 Sep;75(14):1687-97. doi: 10.1007/s40265-015-0462-2." Approved; Investigational N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Dopamine D2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; MATE inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Serotonin Agents; MATE 2 Inhibitors; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Quinolines; Dopamine Agents" O=C1NC2=CC(OCCCCN3CCN(CC3)C3=C4C=CSC4=CC=C3)=CC=C2C=C1 22853 310265043 D10309 PA166160053 Brexpiprazole CHEMBL2105760 1658314 DB09129 Chromic chloride BE0000033 INSR P06213 INSR_HUMAN activator Approved Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Minerals; Antioxidants; Anions; Biological Factors; Ions; Replacement Preparations; Protective Agents; Chlorine Compounds; Drugs that are Mainly Renally Excreted; Electrolytes; Compounds used in a research, industrial, or household setting" [Cl-].[Cl-].[Cl-].[Cr+3] 2021 310265044 Chromium(III)_chloride 21009 DB09130 Copper BE0003392 APP P05067 A4_HUMAN binder 14652164; 11467850; 11784781; 7913895 "Tapiero H, Townsend DM, Tew KD: Trace elements in human physiology and pathology. Copper. Biomed Pharmacother. 2003 Nov;57(9):386-98.@@Suzuki K, Miura T, Takeuchi H: Inhibitory effect of copper(II) on zinc(II)-induced aggregation of amyloid beta-peptide. Biochem Biophys Res Commun. 2001 Jul 27;285(4):991-6.@@White AR, Multhaup G, Galatis D, McKinstry WJ, Parker MW, Pipkorn R, Beyreuther K, Masters CL, Cappai R: Contrasting, species-dependent modulation of copper-mediated neurotoxicity by the Alzheimer's disease amyloid precursor protein. J Neurosci. 2002 Jan 15;22(2):365-76.@@Hesse L, Beher D, Masters CL, Multhaup G: The beta A4 amyloid precursor protein binding to copper. FEBS Lett. 1994 Jul 25;349(1):109-16." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0001684 AHCY P23526 SAHH_HUMAN allosteric modulator 15149804; 14652164 "Li Y, Chen J, Liu J, Yang X, Wang K: Binding of Cu2+ to S-adenosyl-L-homocysteine hydrolase. J Inorg Biochem. 2004 Jun;98(6):977-83.@@Tapiero H, Townsend DM, Tew KD: Trace elements in human physiology and pathology. Copper. Biomed Pharmacother. 2003 Nov;57(9):386-98." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0005156 HIST1H2BC P62807 H2B1C_HUMAN 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0005844 PRDX1 Q06830 PRDX1_HUMAN 14534351; 15359738 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7.@@Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0005013 ACTG1 P63261 ACTG_HUMAN 14534351; 15359738 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7.@@Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0004528 EEF1A1 P68104 EF1A1_HUMAN 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0002467 P4HB P07237 PDIA1_HUMAN 14534351; 15359738 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7.@@Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008980 PDIA3 P30101 PDIA3_HUMAN 14534351; 15359738 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7.@@Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008956 HSPD1 P10809 CH60_HUMAN 14534351; 15359738 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7.@@Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0001165 HSP90B1 P14625 ENPL_HUMAN 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008959 RPS2 P15880 RS2_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0009139 SRSF1 Q07955 SRSF1_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008960 HNRNPA2B1 P22626 ROA2_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008961 HNRNPH1 P31943 HNRH1_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008962 HNRNPH3 P31942 HNRH3_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008964 HNRNPL P14866 HNRPL_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008965 SFPQ P23246 SFPQ_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008966 SF3A2 Q15428 SF3A2_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008967 RACK1 P63244 RACK1_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008969 ANXA4 P09525 ANXA4_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0002109 CALR P27797 CALR_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0000088 PKM P14618 KPYM_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0004352 AKR1A1 P14550 AK1A1_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0000160 CYB5R3 P00387 NB5R3_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0000648 GSR P00390 GSHR_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0000039 TKT P29401 TKT_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0001014 PPIA P62937 PPIA_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0001120 HSP90AA1 P07900 HS90A_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0002480 PTGES3 Q15185 TEBP_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008970 STIP1 P31948 STIP1_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008973 EIF4A1 P60842 IF4A1_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0001199 GPI P06744 G6PI_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0004454 PGK1 P00558 PGK1_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0004174 CFL1 P23528 COF1_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008974 YWHAB P31946 1433B_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0000185 GSS P48637 GSHB_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008975 HDGF P51858 HDGF_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0000011 IDH3A P50213 IDH3A_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0005284 CLIC1 O00299 CLIC1_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008977 PGAM1 P18669 PGAM1_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008978 RANBP1 P43487 RANG_HUMAN 15359738 "Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0005818 SCO1 O75880 SCO1_HUMAN 16735468 "Banci L, Bertini I, Calderone V, Ciofi-Baffoni S, Mangani S, Martinelli M, Palumaa P, Wang S: A hint for the function of human Sco1 from different structures. Proc Natl Acad Sci U S A. 2006 Jun 6;103(23):8595-600. Epub 2006 May 30." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008989 PRNP F7VJQ1 APRIO_HUMAN 16824036; 16831968; 16990274; 17257012; 19236027; 19697239; 22791135 "Wells MA, Jackson GS, Jones S, Hosszu LL, Craven CJ, Clarke AR, Collinge J, Waltho JP: A reassessment of copper(II) binding in the full-length prion protein. Biochem J. 2006 Nov 1;399(3):435-44.@@Merle U, Stremmel W, Gessner R: Influence of homozygosity for methionine at codon 129 of the human prion gene on the onset of neurological and hepatic symptoms in Wilson disease. Arch Neurol. 2006 Jul;63(7):982-5.@@Shiraishi N, Utsunomiya H, Nishikimi M: Combination of NADPH and copper ions generates proteinase K-resistant aggregates from recombinant prion protein. J Biol Chem. 2006 Nov 17;281(46):34880-7. Epub 2006 Sep 21.@@Shearer J, Soh P: The copper(II) adduct of the unstructured region of the amyloidogenic fragment derived from the human prion protein is redox-active at physiological pH. Inorg Chem. 2007 Feb 5;46(3):710-9.@@Valensin G, Molteni E, Valensin D, Taraszkiewicz M, Kozlowski H: Molecular dynamics study of the Cu2+ binding-induced ""structuring"" of the N-terminal domain of human prion protein. J Phys Chem B. 2009 Mar 19;113(11):3277-9. doi: 10.1021/jp901030a.@@Pushie MJ, Vogel HJ: A potential mechanism for Cu2+ reduction, beta-cleavage, and beta-sheet initiation within the N-terminal domain of the prion protein: insights from density functional theory and molecular dynamics calculations. J Toxicol Environ Health A. 2009;72(17-18):1040-59. doi: 10.1080/15287390903084389.@@Remelli M, Valensin D, Toso L, Gralka E, Guerrini R, Marzola E, Kozlowski H: Thermodynamic and spectroscopic investigation on the role of Met residues in Cu(II) binding to the non-octarepeat site of the human prion protein. Metallomics. 2012 Aug;4(8):794-806. doi: 10.1039/c2mt20060k. Epub 2012 Jul 13." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0000433 GLRA1 P23415 GLRA1_HUMAN 16842826 "Chen Z, Dillon GH, Huang R: Identification of residues critical for Cu2+-mediated inhibition of glycine alpha1 receptors. Neuropharmacology. 2006 Sep;51(4):701-8. Epub 2006 Jul 12." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008995 HTT P42858 HD_HUMAN 17396163 "Fox JH, Kama JA, Lieberman G, Chopra R, Dorsey K, Chopra V, Volitakis I, Cherny RA, Bush AI, Hersch S: Mechanisms of copper ion mediated Huntington's disease progression. PLoS One. 2007 Mar 28;2(3):e334." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0005817 NEIL2 Q969S2 NEIL2_HUMAN 20622253 "Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0004350 S100A4 P26447 S10A4_HUMAN 21924240 "Haase-Kohn C, Wolf S, Lenk J, Pietzsch J: Copper-mediated cross-linking of S100A4, but not of S100A2, results in proinflammatory effects in melanoma cells. Biochem Biophys Res Commun. 2011 Sep 30;413(3):494-8. doi: 10.1016/j.bbrc.2011.08.132. Epub 2011 Sep 6." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0000878 SNCA P37840 SYUA_HUMAN 22355530 "Rose F, Hodak M, Bernholc J: Mechanism of copper(II)-induced misfolding of Parkinson's disease protein. Sci Rep. 2011;1:11. doi: 10.1038/srep00011. Epub 2011 Jun 14." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0000992 PARK7 Q99497 PARK7_HUMAN 23792957 "Bjorkblom B, Adilbayeva A, Maple-Grodem J, Piston D, Okvist M, Xu XM, Brede C, Larsen JP, Moller SG: Parkinson disease protein DJ-1 binds metals and protects against metal-induced cytotoxicity. J Biol Chem. 2013 Aug 2;288(31):22809-20. doi: 10.1074/jbc.M113.482091. Epub 2013 Jun 21." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0009046 TAC3 Q9UHF0 TKNK_HUMAN 23875773 "Russino D, McDonald E, Hejazi L, Hanson GR, Jones CE: The tachykinin peptide neurokinin B binds copper forming an unusual [CuII(NKB)2] complex and inhibits copper uptake into 1321N1 astrocytoma cells. ACS Chem Neurosci. 2013 Oct 16;4(10):1371-81. doi: 10.1021/cn4000988. Epub 2013 Aug 7." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0009047 A1BG P04217 A1BG_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0009048 AHSG P02765 FETUA_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0008879 APOC2 P02655 APOC2_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0005056 APOD P05090 APOD_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0001529 C1S P09871 C1S_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0003455 C3 P01024 CO3_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0004686 C4B P0C0L5 CO4B_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0000855 C5 P01031 CO5_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0009052 C9 P02748 CO9_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0009053 CFH P08603 CFAH_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0009054 CFI P05156 CFAI_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0002104 CLEC3B P05452 TETN_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0004930 C1QBP Q07021 C1QBP_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0004161 GSN P06396 GELS_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0009056 CBX5 P45973 CBX5_HUMAN 1268189 "Bryan SE, Simons SJ, Vizard DL, Hardy KJ: Interactions of mercury and copper with constitutive heterochromatin and euchromatin in vivo and in vitro. Biochemistry. 1976 Apr 20;15(8):1667-76." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0009061 KRT1 P04264 K2C1_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0009062 KRT10 P13645 K1C10_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0004613 PGLYRP2 Q96PD5 PGRP2_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0000930 PON1 P27169 PON1_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0000775 SERPIND1 P05546 HEP2_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0002458 SERPING1 P05155 IC1_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09130 Copper BE0000337 TTR P02766 TTHY_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients" [Cu] 582 310265045 PA449114 Copper 2837 DB09141 Protamine sulfate BE0000216 F10 P00742 FA10_HUMAN Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Nuclear Proteins; Antiheparin Agents; Hematologic Agents; Proteins; Heparin Antagonists; Heparin Reversal Agent; Amino Acids, Peptides, and Proteins; Nucleoproteins" 5881 347910415 D02224 Protamine_sulfate 8825 DB09143 Sonidegib BE0004659 SMO Q99835 SMO_HUMAN antagonist 26323341 Burness CB: Sonidegib: First Global Approval. Drugs. 2015 Sep;75(13):1559-66. doi: 10.1007/s40265-015-0458-y. Approved; Investigational Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives Smoothened Receptor Antagonists; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Hedgehog pathway inhibitors; Narrow Therapeutic Index Drugs; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; Hedgehog Pathway Inhibitor; Antineoplastic Agents [H][C@]1(C)CN(C[C@@]([H])(C)O1)C1=CC=C(NC(=O)C2=CC=CC(=C2C)C2=CC=C(OC(F)(F)F)C=C2)C=N1 23471 310265056 D10119 Sonidegib CHEMBL2105737 1659191 DB09148 Florbetaben F-18 BE0003392 APP P05067 A4_HUMAN binder Approved Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes Diagnostic Radiopharmaceuticals; Amines; Fluorine Radioisotopes; Benzylidene Compounds; Drugs that are Mainly Renally Excreted; Benzene Derivatives; Positron Emitting Activity; Central Nervous System; Radioactive Diagnostic Agent CNC1=CC=C(\C=C\C2=CC=C(OCCOCCOCC[18F])C=C2)C=C1 310265061 D10002 Florbetaben_(18F) CHEMBL566752 1492940 DB09149 Florbetapir (18F) BE0003392 APP P05067 A4_HUMAN binder 19837759 "Choi SR, Golding G, Zhuang Z, Zhang W, Lim N, Hefti F, Benedum TE, Kilbourn MR, Skovronsky D, Kung HF: Preclinical properties of 18F-AV-45: a PET agent for Abeta plaques in the brain. J Nucl Med. 2009 Nov;50(11):1887-94. doi: 10.2967/jnumed.109.065284. Epub 2009 Oct 16." Approved; Investigational Styrenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Styrenes Diagnostic Radiopharmaceuticals; Amines; Glycols; Fluorine Radioisotopes; Alcohols; Drugs that are Mainly Renally Excreted; Positron Emitting Activity; Central Nervous System; Radioactive Diagnostic Agent [H]N(C1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])N=C(OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])[18F])C([H])=C2[H])C([H])=C1[H])C([H])([H])[H] 310265062 D09617 Florbetapir_(18F) CHEMBL1774461 1427224 DB09151 Flutemetamol (18F) BE0003392 APP P05067 A4_HUMAN binder 27031469 "Beach TG, Thal DR, Zanette M, Smith A, Buckley C: Detection of Striatal Amyloid Plaques with [18F]flutemetamol: Validation with Postmortem Histopathology. J Alzheimers Dis. 2016 Mar 31;52(3):863-73. doi: 10.3233/JAD-150732." Approved; Investigational Benzothiazoles Organic compounds; Organoheterocyclic compounds; Benzothiazoles "Indicators and Reagents; Diagnostic Uses of Chemicals; Diagnostic Radiopharmaceuticals; Radiopharmaceutical Activity; Contrast Media; Heterocyclic Compounds, Fused-Ring; Amines; Thiazoles; Radiopharmaceuticals; Radioactive Diagnostic Agent; Sulfur Compounds; Laboratory Chemicals; Central Nervous System; Compounds used in a research, industrial, or household setting" CNC1=C([18F])C=C(C=C1)C1=NC2=CC=C(O)C=C2S1 310265064 D10231 Flutemetamol_(18F) CHEMBL2042122 1486025 DB09166 Etizolam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Experimental Thienodiazepines Organic compounds; Organoheterocyclic compounds; Thienodiazepines "Cytochrome P-450 CYP3A Substrates; Muscle Relaxants, Centrally Acting Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Nervous System" CCC1=CC2=C(S1)N1C(C)=NN=C1CN=C2C1=CC=CC=C1Cl 310265075 D01514 Etizolam CHEMBL1289779 DB09166 Etizolam BE0005561 PTAFR P25105 PTAFR_HUMAN antagonist 2890779 "Mikashima H, Takehara S, Muramoto Y, Khomaru T, Terasawa M, Tahara T, Maruyama Y: An antagonistic activity of etizolam on platelet-activating factor (PAF). In vitro effects on platelet aggregation and PAF receptor binding. Jpn J Pharmacol. 1987 Aug;44(4):387-91." Experimental Thienodiazepines Organic compounds; Organoheterocyclic compounds; Thienodiazepines "Cytochrome P-450 CYP3A Substrates; Muscle Relaxants, Centrally Acting Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Nervous System" CCC1=CC2=C(S1)N1C(C)=NN=C1CN=C2C1=CC=CC=C1Cl 310265075 D01514 Etizolam CHEMBL1289779 DB09167 Dosulepin BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 17471183 Gillman PK: Tricyclic antidepressant pharmacology and therapeutic drug interactions updated. Br J Pharmacol. 2007 Jul;151(6):737-48. Epub 2007 Apr 30. Approved Dibenzothiepins Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Dibenzothiepins; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Thiepins; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; Sulfur Compounds; Narrow Therapeutic Index Drugs; Adrenergic Agents" CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12 310265076 D07872 Dosulepin CHEMBL1492500 3634 DB09167 Dosulepin BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 17471183 Gillman PK: Tricyclic antidepressant pharmacology and therapeutic drug interactions updated. Br J Pharmacol. 2007 Jul;151(6):737-48. Epub 2007 Apr 30. Approved Dibenzothiepins Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Dibenzothiepins; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Thiepins; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; Sulfur Compounds; Narrow Therapeutic Index Drugs; Adrenergic Agents" CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12 310265076 D07872 Dosulepin CHEMBL1492500 3634 DB09167 Dosulepin BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 17471183 Gillman PK: Tricyclic antidepressant pharmacology and therapeutic drug interactions updated. Br J Pharmacol. 2007 Jul;151(6):737-48. Epub 2007 Apr 30. Approved Dibenzothiepins Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Dibenzothiepins; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Thiepins; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; Sulfur Compounds; Narrow Therapeutic Index Drugs; Adrenergic Agents" CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12 310265076 D07872 Dosulepin CHEMBL1492500 3634 DB09167 Dosulepin BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 17471183 Gillman PK: Tricyclic antidepressant pharmacology and therapeutic drug interactions updated. Br J Pharmacol. 2007 Jul;151(6):737-48. Epub 2007 Apr 30. Approved Dibenzothiepins Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Dibenzothiepins; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Thiepins; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; Sulfur Compounds; Narrow Therapeutic Index Drugs; Adrenergic Agents" CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12 310265076 D07872 Dosulepin CHEMBL1492500 3634 DB09167 Dosulepin BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist "Heal D, Cheetham S, Martin K, Browning J, Luscombe G, Buckett R: Comparative pharmacology of dothiepin, its metabolites, and other antidepressant drugs Drug Development Research. 1992 May 1;27(2):121Ð135." Approved Dibenzothiepins Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins "Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Dibenzothiepins; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Thiepins; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; Sulfur Compounds; Narrow Therapeutic Index Drugs; Adrenergic Agents" CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12 310265076 D07872 Dosulepin CHEMBL1492500 3634 DB09173 Butyrfentanyl BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 28807672 "Baumann MH, Majumdar S, Le Rouzic V, Hunkele A, Uprety R, Huang XP, Xu J, Roth BL, Pan YX, Pasternak GW: Pharmacological characterization of novel synthetic opioids (NSO) found in the recreational drug marketplace. Neuropharmacology. 2018 May 15;134(Pt A):101-107. doi: 10.1016/j.neuropharm.2017.08.016. Epub 2017 Aug 12." Illicit Fentanyls Organic compounds; Organoheterocyclic compounds; Piperidines; Fentanyls Piperidines; Cytochrome P-450 CYP2D6 Substrates; Street Drugs; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Illicit Drugs; Cytochrome P-450 CYP3A4 Substrates CCCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1 310265082 Butyrfentanyl DB09173 Butyrfentanyl BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 28807672 "Baumann MH, Majumdar S, Le Rouzic V, Hunkele A, Uprety R, Huang XP, Xu J, Roth BL, Pan YX, Pasternak GW: Pharmacological characterization of novel synthetic opioids (NSO) found in the recreational drug marketplace. Neuropharmacology. 2018 May 15;134(Pt A):101-107. doi: 10.1016/j.neuropharm.2017.08.016. Epub 2017 Aug 12." Illicit Fentanyls Organic compounds; Organoheterocyclic compounds; Piperidines; Fentanyls Piperidines; Cytochrome P-450 CYP2D6 Substrates; Street Drugs; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Illicit Drugs; Cytochrome P-450 CYP3A4 Substrates CCCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1 310265082 Butyrfentanyl DB09185 Viloxazine BE0000393 HTR2B P41595 5HT2B_HUMAN antagonist 32943948 "Yu C, Garcia-Olivares J, Candler S, Schwabe S, Maletic V: New Insights into the Mechanism of Action of Viloxazine: Serotonin and Norepinephrine Modulating Properties. J Exp Pharmacol. 2020 Aug 25;12:285-300. doi: 10.2147/JEP.S256586. eCollection 2020." Approved; Investigational; Withdrawn Phenol ethers Organic compounds; Benzenoids; Phenol ethers "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Monoamine Oxidase B Inhibitors; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Monoamine Oxidase A Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Histamine H2 Antagonists; Cytochrome P-450 CYP1A2 Inhibitors (strong); Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Histamine H3 Antagonists; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Morpholines; Norepinephrine Uptake Inhibitors; MATE inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Norepinephrine Reuptake Inhibitor; Muscarinic Antagonists; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Adrenergic beta-Antagonists; UGT1A9 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Adrenergic Agents; Antidepressive Agents, Second-Generation; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" CCOC1=CC=CC=C1OCC1CNCCO1 310265093 D08673 Viloxazine CHEMBL306700 11196 DB09185 Viloxazine BE0000533 HTR2C P28335 5HT2C_HUMAN agonist 32943948 "Yu C, Garcia-Olivares J, Candler S, Schwabe S, Maletic V: New Insights into the Mechanism of Action of Viloxazine: Serotonin and Norepinephrine Modulating Properties. J Exp Pharmacol. 2020 Aug 25;12:285-300. doi: 10.2147/JEP.S256586. eCollection 2020." Approved; Investigational; Withdrawn Phenol ethers Organic compounds; Benzenoids; Phenol ethers "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Monoamine Oxidase B Inhibitors; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Monoamine Oxidase A Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Histamine H2 Antagonists; Cytochrome P-450 CYP1A2 Inhibitors (strong); Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Histamine H3 Antagonists; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Morpholines; Norepinephrine Uptake Inhibitors; MATE inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Norepinephrine Reuptake Inhibitor; Muscarinic Antagonists; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Adrenergic beta-Antagonists; UGT1A9 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Adrenergic Agents; Antidepressive Agents, Second-Generation; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" CCOC1=CC=CC=C1OCC1CNCCO1 310265093 D08673 Viloxazine CHEMBL306700 11196 DB09185 Viloxazine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 34003459; 32943948 "Findling RL, Candler SA, Nasser AF, Schwabe S, Yu C, Garcia-Olivares J, O'Neal W, Newcorn JH: Viloxazine in the Management of CNS Disorders: A Historical Overview and Current Status. CNS Drugs. 2021 Jun;35(6):643-653. doi: 10.1007/s40263-021-00825-w. Epub 2021 May 18.@@Yu C, Garcia-Olivares J, Candler S, Schwabe S, Maletic V: New Insights into the Mechanism of Action of Viloxazine: Serotonin and Norepinephrine Modulating Properties. J Exp Pharmacol. 2020 Aug 25;12:285-300. doi: 10.2147/JEP.S256586. eCollection 2020." Approved; Investigational; Withdrawn Phenol ethers Organic compounds; Benzenoids; Phenol ethers "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Monoamine Oxidase B Inhibitors; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Monoamine Oxidase A Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Histamine H2 Antagonists; Cytochrome P-450 CYP1A2 Inhibitors (strong); Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Histamine H3 Antagonists; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Morpholines; Norepinephrine Uptake Inhibitors; MATE inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Norepinephrine Reuptake Inhibitor; Muscarinic Antagonists; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Adrenergic beta-Antagonists; UGT1A9 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Adrenergic Agents; Antidepressive Agents, Second-Generation; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" CCOC1=CC=CC=C1OCC1CNCCO1 310265093 D08673 Viloxazine CHEMBL306700 11196 DB09185 Viloxazine BE0000112 HRH2 P25021 HRH2_HUMAN antagonist 34003459; 32943948 "Findling RL, Candler SA, Nasser AF, Schwabe S, Yu C, Garcia-Olivares J, O'Neal W, Newcorn JH: Viloxazine in the Management of CNS Disorders: A Historical Overview and Current Status. CNS Drugs. 2021 Jun;35(6):643-653. doi: 10.1007/s40263-021-00825-w. Epub 2021 May 18.@@Yu C, Garcia-Olivares J, Candler S, Schwabe S, Maletic V: New Insights into the Mechanism of Action of Viloxazine: Serotonin and Norepinephrine Modulating Properties. J Exp Pharmacol. 2020 Aug 25;12:285-300. doi: 10.2147/JEP.S256586. eCollection 2020." Approved; Investigational; Withdrawn Phenol ethers Organic compounds; Benzenoids; Phenol ethers "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Monoamine Oxidase B Inhibitors; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Monoamine Oxidase A Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Histamine H2 Antagonists; Cytochrome P-450 CYP1A2 Inhibitors (strong); Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Histamine H3 Antagonists; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Morpholines; Norepinephrine Uptake Inhibitors; MATE inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Norepinephrine Reuptake Inhibitor; Muscarinic Antagonists; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Adrenergic beta-Antagonists; UGT1A9 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Adrenergic Agents; Antidepressive Agents, Second-Generation; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" CCOC1=CC=CC=C1OCC1CNCCO1 310265093 D08673 Viloxazine CHEMBL306700 11196 DB09185 Viloxazine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 34003459; 32943948 "Findling RL, Candler SA, Nasser AF, Schwabe S, Yu C, Garcia-Olivares J, O'Neal W, Newcorn JH: Viloxazine in the Management of CNS Disorders: A Historical Overview and Current Status. CNS Drugs. 2021 Jun;35(6):643-653. doi: 10.1007/s40263-021-00825-w. Epub 2021 May 18.@@Yu C, Garcia-Olivares J, Candler S, Schwabe S, Maletic V: New Insights into the Mechanism of Action of Viloxazine: Serotonin and Norepinephrine Modulating Properties. J Exp Pharmacol. 2020 Aug 25;12:285-300. doi: 10.2147/JEP.S256586. eCollection 2020." Approved; Investigational; Withdrawn Phenol ethers Organic compounds; Benzenoids; Phenol ethers "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Monoamine Oxidase B Inhibitors; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Monoamine Oxidase A Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Histamine H2 Antagonists; Cytochrome P-450 CYP1A2 Inhibitors (strong); Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Histamine H3 Antagonists; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Morpholines; Norepinephrine Uptake Inhibitors; MATE inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Norepinephrine Reuptake Inhibitor; Muscarinic Antagonists; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Adrenergic beta-Antagonists; UGT1A9 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Adrenergic Agents; Antidepressive Agents, Second-Generation; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" CCOC1=CC=CC=C1OCC1CNCCO1 310265093 D08673 Viloxazine CHEMBL306700 11196 DB09185 Viloxazine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 34003459; 32943948 "Findling RL, Candler SA, Nasser AF, Schwabe S, Yu C, Garcia-Olivares J, O'Neal W, Newcorn JH: Viloxazine in the Management of CNS Disorders: A Historical Overview and Current Status. CNS Drugs. 2021 Jun;35(6):643-653. doi: 10.1007/s40263-021-00825-w. Epub 2021 May 18.@@Yu C, Garcia-Olivares J, Candler S, Schwabe S, Maletic V: New Insights into the Mechanism of Action of Viloxazine: Serotonin and Norepinephrine Modulating Properties. J Exp Pharmacol. 2020 Aug 25;12:285-300. doi: 10.2147/JEP.S256586. eCollection 2020." Approved; Investigational; Withdrawn Phenol ethers Organic compounds; Benzenoids; Phenol ethers "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Monoamine Oxidase B Inhibitors; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Monoamine Oxidase A Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Histamine H2 Antagonists; Cytochrome P-450 CYP1A2 Inhibitors (strong); Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Histamine H3 Antagonists; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Morpholines; Norepinephrine Uptake Inhibitors; MATE inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Norepinephrine Reuptake Inhibitor; Muscarinic Antagonists; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Adrenergic beta-Antagonists; UGT1A9 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Adrenergic Agents; Antidepressive Agents, Second-Generation; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates" CCOC1=CC=CC=C1OCC1CNCCO1 310265093 D08673 Viloxazine CHEMBL306700 11196 DB09194 Etoperidone BE0000533 HTR2C P28335 5HT2C_HUMAN agonist 7855217 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65." Withdrawn Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Serotonin Agents; Serotonin 5-HT2A Receptor Antagonists; Piperazines; Central Nervous System Depressants; Pyridones; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Psychoanaleptics; Nervous System; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Drugs that are Mainly Renally Excreted; Serotonin Receptor Antagonists; Antidepressive Agents; Pyridines; Serotonin Modulators CCN1C(=O)N(CCCN2CCN(CC2)C2=CC=CC(Cl)=C2)N=C1CC 310265102 Etoperidone CHEMBL1743259 DB09194 Etoperidone BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist 7855217 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65." Withdrawn Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Serotonin Agents; Serotonin 5-HT2A Receptor Antagonists; Piperazines; Central Nervous System Depressants; Pyridones; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Psychoanaleptics; Nervous System; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Drugs that are Mainly Renally Excreted; Serotonin Receptor Antagonists; Antidepressive Agents; Pyridines; Serotonin Modulators CCN1C(=O)N(CCCN2CCN(CC2)C2=CC=CC(Cl)=C2)N=C1CC 310265102 Etoperidone CHEMBL1743259 DB09194 Etoperidone BE0004890 CHRM1 P08912 ACM5_HUMAN antagonist 7855217 "Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65." Withdrawn Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Serotonin Agents; Serotonin 5-HT2A Receptor Antagonists; Piperazines; Central Nervous System Depressants; Pyridones; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Psychoanaleptics; Nervous System; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Drugs that are Mainly Renally Excreted; Serotonin Receptor Antagonists; Antidepressive Agents; Pyridines; Serotonin Modulators CCN1C(=O)N(CCCN2CCN(CC2)C2=CC=CC(Cl)=C2)N=C1CC 310265102 Etoperidone CHEMBL1743259 DB09195 Lorpiprazole BE0000533 HTR2C P28335 5HT2C_HUMAN antagonist 22232986 "Jarema M, Dudek D, Landowski J, Heitzman J, Rabe-Jablonska J, Rybakowski J: [Trazodon--the antidepressant: mechanism of action and its position in the treatment of depression]. Psychiatr Pol. 2011 Jul-Aug;45(4):611-25." Approved Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Cytochrome P-450 CYP2D6 Substrates; Serotonin 5-HT2A Receptor Antagonists; Serotonin Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates; Antidepressive Agents; Serotonin Modulators [H][C@@]12CCC[C@]1([H])C1=NN=C(CCN3CCN(CC3)C3=CC=CC(=C3)C(F)(F)F)N1C2 310265103 Lorpiprazole DB09195 Lorpiprazole BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist 22232986 "Jarema M, Dudek D, Landowski J, Heitzman J, Rabe-Jablonska J, Rybakowski J: [Trazodon--the antidepressant: mechanism of action and its position in the treatment of depression]. Psychiatr Pol. 2011 Jul-Aug;45(4):611-25." Approved Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Cytochrome P-450 CYP2D6 Substrates; Serotonin 5-HT2A Receptor Antagonists; Serotonin Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates; Antidepressive Agents; Serotonin Modulators [H][C@@]12CCC[C@]1([H])C1=NN=C(CCN3CCN(CC3)C3=CC=CC(=C3)C(F)(F)F)N1C2 310265103 Lorpiprazole DB09195 Lorpiprazole BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 22232986 "Jarema M, Dudek D, Landowski J, Heitzman J, Rabe-Jablonska J, Rybakowski J: [Trazodon--the antidepressant: mechanism of action and its position in the treatment of depression]. Psychiatr Pol. 2011 Jul-Aug;45(4):611-25." Approved Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Cytochrome P-450 CYP2D6 Substrates; Serotonin 5-HT2A Receptor Antagonists; Serotonin Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates; Antidepressive Agents; Serotonin Modulators [H][C@@]12CCC[C@]1([H])C1=NN=C(CCN3CCN(CC3)C3=CC=CC(=C3)C(F)(F)F)N1C2 310265103 Lorpiprazole DB09198 Lobeglitazone BE0000215 PPARG P37231 PPARG_HUMAN activator 25648999 "Lee JH, Noh CK, Yim CS, Jeong YS, Ahn SH, Lee W, Kim DD, Chung SJ: Kinetics of the Absorption, Distribution, Metabolism, and Excretion of Lobeglitazone, a Novel Activator of Peroxisome Proliferator-Activated Receptor Gamma in Rats. J Pharm Sci. 2015 Sep;104(9):3049-59. doi: 10.1002/jps.24378. Epub 2015 Feb 3." Experimental Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP1A2 Inhibitors (moderate); PPAR gamma, agonists; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Drugs Used in Diabetes; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; PPAR alpha, agonists" COC1=CC=C(OC2=NC=NC(=C2)N(C)CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1 310265106 Lobeglitazone CHEMBL3585580 DB09201 Ciglitazone BE0000215 PPARG P37231 PPARG_HUMAN agonist 12391285; 12604364 "Wick M, Hurteau G, Dessev C, Chan D, Geraci MW, Winn RA, Heasley LE, Nemenoff RA: Peroxisome proliferator-activated receptor-gamma is a target of nonsteroidal anti-inflammatory drugs mediating cyclooxygenase-independent inhibition of lung cancer cell growth. Mol Pharmacol. 2002 Nov;62(5):1207-14.@@Hinz B, Brune K, Pahl A: 15-Deoxy-Delta(12,14)-prostaglandin J2 inhibits the expression of proinflammatory genes in human blood monocytes via a PPAR-gamma-independent mechanism. Biochem Biophys Res Commun. 2003 Mar 7;302(2):415-20. doi: 10.1016/s0006-291x(03)00195-5." Experimental Phenol ethers Organic compounds; Benzenoids; Phenol ethers Cytochrome P-450 CYP2C8 Inhibitors; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates CC1(COC2=CC=C(CC3SC(=O)NC3=O)C=C2)CCCCC1 310265109 D03493 Ciglitazone CHEMBL7002 DB09202 Cirazoline BE0000715 ADRA1D P25100 ADA1D_HUMAN partial agonist 8564227; 6123592 "Horie K, Obika K, Foglar R, Tsujimoto G: Selectivity of the imidazoline alpha-adrenoceptor agonists (oxymetazoline and cirazoline) for human cloned alpha 1-adrenoceptor subtypes. Br J Pharmacol. 1995 Sep;116(1):1611-8.@@Ruffolo RR Jr, Waddell JE: Receptor interactions of imidazolines. IX. Cirazoline is an alpha-1 adrenergic agonist and an alpha-2 adrenergic antagonist. J Pharmacol Exp Ther. 1982 Jul;222(1):29-36." Experimental Phenol ethers Organic compounds; Benzenoids; Phenol ethers Respiratory System Agents; Cardiovascular Agents; Adrenergic Agonists; Adrenergic alpha-Agonists; Neurotransmitter Agents; Vasoconstrictor Agents; Agents that produce hypertension; Agents producing tachycardia; Nasal Decongestants; Adrenergic Agents; Adrenergic alpha-1 Receptor Agonists [H]N1CCN=C1COC1=CC=CC=C1C1CC1 310265110 Cirazoline CHEMBL13852 DB09203 Synephrine BE0004863 ADRA1A P25100 ADA1D_HUMAN 11286401 "Huang YT, Lin HC, Chang YY, Yang YY, Lee SD, Hong CY: Hemodynamic effects of synephrine treatment in portal hypertensive rats. Jpn J Pharmacol. 2001 Feb;85(2):183-8." Experimental 1-hydroxy-2-unsubstituted benzenoids Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Biogenic Amines; Nasal Decongestants; Agents producing tachycardia; Autonomic Agents; Sympathomimetics Used as Decongestants; Amino Alcohols; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Alcohols; Vasoconstrictor Agents; Adrenergic Agonists; Sympathomimetics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Ophthalmologicals; Decongestants and Antiallergics; Cardiac Therapy; Biogenic Monoamines; Neurotransmitter Agents; Ethanolamines; Adrenergic Agents; Sensory Organs CNCC(O)C1=CC=C(O)C=C1 310265111 D07148 Synephrine CHEMBL33720 10288 DB09204 Arotinolol BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist Investigational Thiophene carboxamides Organic compounds; Organoheterocyclic compounds; Thiophenes; Thiophene carboxylic acids and derivatives Amino Alcohols; Hypotensive Agents; Cytochrome P-450 CYP2D6 Substrates; Amines; Adrenergic beta-Antagonists; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Adrenergic Antagonists; Neurotransmitter Agents; Alcohols; Bradycardia-Causing Agents; Propanols; Drugs that are Mainly Renally Excreted; Adrenergic Agents CC(C)(C)NCC(O)CSC1=NC(=CS1)C1=CC=C(S1)C(N)=O 310265112 D07465 Arotinolol CHEMBL93298 DB09207 AS-8112 BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 11350861 "Yoshikawa T, Yoshida N, Oka M: The broad-spectrum anti-emetic activity of AS-8112, a novel dopamine D2, D3 and 5-HT3 receptors antagonist. Br J Pharmacol. 2001 May;133(2):253-60." Experimental Aminobenzamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives Neurotransmitter Agents; Dopamine Antagonists; Dopamine Agents; Dopamine D2 Receptor Antagonists [H]N(C)C1=C(Br)C=C(C(=O)N([H])[C@@H]2CN(C)CCN(CC)C2)C(OC)=C1 310265115 AS-8112 DB09209 Pholcodine BE0000770 OPRM1 P35372 OPRM_HUMAN antagonist Approved; Illicit Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Morphine Derivatives; Respiratory System Agents; Phenanthrenes; Antitussive Agents; Sensory System Agents; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Opium Alkaloids and Derivatives; Oxazines; Alkaloids; Cough and Cold Preparations; Drugs that are Mainly Renally Excreted; Opiate Alkaloids; Peripheral Nervous System Agents; Analgesics" [H][C@@]12OC3=C(OCCN4CCOCC4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O 310265116 D07385 Pholcodine CHEMBL2105224 33431 DB09209 Pholcodine BE0000420 OPRD1 P41143 OPRD_HUMAN antagonist Approved; Illicit Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Morphine Derivatives; Respiratory System Agents; Phenanthrenes; Antitussive Agents; Sensory System Agents; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Opium Alkaloids and Derivatives; Oxazines; Alkaloids; Cough and Cold Preparations; Drugs that are Mainly Renally Excreted; Opiate Alkaloids; Peripheral Nervous System Agents; Analgesics" [H][C@@]12OC3=C(OCCN4CCOCC4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O 310265116 D07385 Pholcodine CHEMBL2105224 33431 DB09211 Limaprost BE0000368 PTGER2 P43116 PE2R2_HUMAN agonist 14713863 "Ruiz Rubio JL, Hernandez M, Rivera de los Arcos L, Martinez AC, Garcia-Sacristan A, Prieto D: Mechanisms of prostaglandin E1-induced relaxation in penile resistance arteries. J Urol. 2004 Feb;171(2 Pt 1):968-73." Investigational Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Inflammation Mediators; Fatty Acids, Monounsaturated; Biological Factors; Prostaglandins E; Prostaglandins; Lipids; Autacoids; Fatty Acids; Eicosanoids; Fatty Acids, Unsaturated" CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O 310265118 D02722 CHEMBL2107456 DB09211 Limaprost BE0002375 PTGER3 P43115 PE2R3_HUMAN agonist Investigational Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Inflammation Mediators; Fatty Acids, Monounsaturated; Biological Factors; Prostaglandins E; Prostaglandins; Lipids; Autacoids; Fatty Acids; Eicosanoids; Fatty Acids, Unsaturated" CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O 310265118 D02722 CHEMBL2107456 DB09213 Dexibuprofen BE0000246 BCL2 P10415 BCL2_HUMAN negative modulator 22668799 "Palayoor ST, J-Aryankalayil M, Makinde AY, Cerna D, Falduto MT, Magnuson SR, Coleman CN: Gene expression profile of coronary artery cells treated with nonsteroidal anti-inflammatory drugs reveals off-target effects. J Cardiovasc Pharmacol. 2012 Jun;59(6):487-99. doi: 10.1097/FJC.0b013e31824ba6b5." Approved; Investigational Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids "Non COX-2 selective NSAIDS; UGT2B7 substrates; Anti-Inflammatory Agents; Nephrotoxic agents; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 CYP2C19 Substrates; Phenylpropionates; Musculo-Skeletal System; UGT1A3 substrates; Acids, Carbocyclic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Propionates; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); UGT1A1 Substrates" CC(C)CC1=CC=C(C=C1)[C@H](C)C(O)=O 310265120 D03715 PA166049174 Dexibuprofen CHEMBL175 DB09213 Dexibuprofen BE0001088 PLAT P00750 TPA_HUMAN modulator Approved; Investigational Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids "Non COX-2 selective NSAIDS; UGT2B7 substrates; Anti-Inflammatory Agents; Nephrotoxic agents; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 CYP2C19 Substrates; Phenylpropionates; Musculo-Skeletal System; UGT1A3 substrates; Acids, Carbocyclic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Propionates; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); UGT1A1 Substrates" CC(C)CC1=CC=C(C=C1)[C@H](C)C(O)=O 310265120 D03715 PA166049174 Dexibuprofen CHEMBL175 DB09213 Dexibuprofen BE0000215 PPARG P37231 PPARG_HUMAN activator 20089905 "Dill J, Patel AR, Yang XL, Bachoo R, Powell CM, Li S: A molecular mechanism for ibuprofen-mediated RhoA inhibition in neurons. J Neurosci. 2010 Jan 20;30(3):963-72. doi: 10.1523/JNEUROSCI.5045-09.2010." Approved; Investigational Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids "Non COX-2 selective NSAIDS; UGT2B7 substrates; Anti-Inflammatory Agents; Nephrotoxic agents; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 CYP2C19 Substrates; Phenylpropionates; Musculo-Skeletal System; UGT1A3 substrates; Acids, Carbocyclic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Propionates; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); UGT1A1 Substrates" CC(C)CC1=CC=C(C=C1)[C@H](C)C(O)=O 310265120 D03715 PA166049174 Dexibuprofen CHEMBL175 DB09213 Dexibuprofen BE0001195 CFTR P13569 CFTR_HUMAN inhibitor 9710435 "Devor DC, Schultz BD: Ibuprofen inhibits cystic fibrosis transmembrane conductance regulator-mediated Cl- secretion. J Clin Invest. 1998 Aug 15;102(4):679-87." Approved; Investigational Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids "Non COX-2 selective NSAIDS; UGT2B7 substrates; Anti-Inflammatory Agents; Nephrotoxic agents; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 CYP2C19 Substrates; Phenylpropionates; Musculo-Skeletal System; UGT1A3 substrates; Acids, Carbocyclic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Propionates; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); UGT1A1 Substrates" CC(C)CC1=CC=C(C=C1)[C@H](C)C(O)=O 310265120 D03715 PA166049174 Dexibuprofen CHEMBL175 DB09213 Dexibuprofen BE0001018 SLC15A1 P46059 S15A1_HUMAN 21147219 "Omkvist DH, Trangbaek DJ, Mildon J, Paine JS, Brodin B, Begtrup M, Nielsen CU: Affinity and translocation relationships via hPEPT1 of H-X aa-Ser-OH dipeptides: evaluation of H-Phe-Ser-OH as a pro-moiety for ibuprofen and benzoic acid prodrugs. Eur J Pharm Biopharm. 2011 Feb;77(2):327-31. doi: 10.1016/j.ejpb.2010.12.009. Epub 2010 Dec 13." Approved; Investigational Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids "Non COX-2 selective NSAIDS; UGT2B7 substrates; Anti-Inflammatory Agents; Nephrotoxic agents; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 CYP2C19 Substrates; Phenylpropionates; Musculo-Skeletal System; UGT1A3 substrates; Acids, Carbocyclic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Propionates; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); UGT1A1 Substrates" CC(C)CC1=CC=C(C=C1)[C@H](C)C(O)=O 310265120 D03715 PA166049174 Dexibuprofen CHEMBL175 DB09213 Dexibuprofen BE0000071 PPARA Q07869 PPARA_HUMAN 9013583 "Lehmann JM, Lenhard JM, Oliver BB, Ringold GM, Kliewer SA: Peroxisome proliferator-activated receptors alpha and gamma are activated by indomethacin and other non-steroidal anti-inflammatory drugs. J Biol Chem. 1997 Feb 7;272(6):3406-10." Approved; Investigational Phenylpropanoic acids Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids "Non COX-2 selective NSAIDS; UGT2B7 substrates; Anti-Inflammatory Agents; Nephrotoxic agents; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 CYP2C19 Substrates; Phenylpropionates; Musculo-Skeletal System; UGT1A3 substrates; Acids, Carbocyclic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Propionates; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); UGT1A1 Substrates" CC(C)CC1=CC=C(C=C1)[C@H](C)C(O)=O 310265120 D03715 PA166049174 Dexibuprofen CHEMBL175 DB09220 Nicorandil BE0000469 ABCC9 O60706 ABCC9_HUMAN activator 12770942 "Russ U, Lange U, Loffler-Walz C, Hambrock A, Quast U: Binding and effect of K ATP channel openers in the absence of Mg2+. Br J Pharmacol. 2003 May;139(2):368-80." Approved; Investigational Nicotinamides Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives Antiarrhythmic agents; Cardiovascular Agents; Vasodilators Used in Cardiac Diseases; Cardiac Therapy; Agents causing hyperkalemia; Vasodilating Agents; Potassium Channel Opener; Antihypertensive Agents; Nitrates; Nicotinic Acids; Drugs that are Mainly Renally Excreted; Pyridines; Micronutrients [O-][N+](=O)OCCNC(=O)C1=CC=CN=C1 310265127 D01810 Nicorandil CHEMBL284906 31748 DB09221 Polaprezinc BE0000029 FLT1 P17948 VGFR1_HUMAN agonist Experimental Hybrid peptides Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides "Anti-Ulcer Agents; Zinc Compounds; Oligopeptides; Metal divalent cations; Nerve Tissue Proteins; Neuropeptides; Peptides; Proteins; Tumor Necrosis Factor Blockers; Metal cations; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Dipeptides" NCCC(=O)N1[Zn]OC(=O)[C@@H]1CC1=CN=CN1 310265128 D01611 Zinc_L-carnosine CHEMBL3184454 2179843 DB09221 Polaprezinc BE0001094 NGF P01138 NGF_HUMAN agonist Experimental Hybrid peptides Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides "Anti-Ulcer Agents; Zinc Compounds; Oligopeptides; Metal divalent cations; Nerve Tissue Proteins; Neuropeptides; Peptides; Proteins; Tumor Necrosis Factor Blockers; Metal cations; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Dipeptides" NCCC(=O)N1[Zn]OC(=O)[C@@H]1CC1=CN=CN1 310265128 D01611 Zinc_L-carnosine CHEMBL3184454 2179843 DB09221 Polaprezinc BE0001120 HSP90AA1 P07900 HS90A_HUMAN agonist Experimental Hybrid peptides Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides "Anti-Ulcer Agents; Zinc Compounds; Oligopeptides; Metal divalent cations; Nerve Tissue Proteins; Neuropeptides; Peptides; Proteins; Tumor Necrosis Factor Blockers; Metal cations; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Dipeptides" NCCC(=O)N1[Zn]OC(=O)[C@@H]1CC1=CN=CN1 310265128 D01611 Zinc_L-carnosine CHEMBL3184454 2179843 DB09221 Polaprezinc BE0001898 HSP90AB1 P08238 HS90B_HUMAN agonist Experimental Hybrid peptides Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides "Anti-Ulcer Agents; Zinc Compounds; Oligopeptides; Metal divalent cations; Nerve Tissue Proteins; Neuropeptides; Peptides; Proteins; Tumor Necrosis Factor Blockers; Metal cations; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Dipeptides" NCCC(=O)N1[Zn]OC(=O)[C@@H]1CC1=CN=CN1 310265128 D01611 Zinc_L-carnosine CHEMBL3184454 2179843 DB09223 Blonanserin BE0000581 DRD3 P35462 DRD3_HUMAN antagonist 20030420 "Deeks ED, Keating GM: Blonanserin: a review of its use in the management of schizophrenia. CNS Drugs. 2010 Jan;24(1):65-84. doi: 10.2165/11202620-000000000-00000." Investigational Pyridinylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Antipsychotic Agents; Serotonin Agents; Serotonin 5-HT2A Receptor Antagonists; Central Nervous System Depressants; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 Substrates; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Substrates; Serotonin Receptor Antagonists; Antidepressive Agents; Neurotoxic agents; Dopamine D2 Receptor Antagonists CCN1CCN(CC1)C1=NC2=C(CCCCCC2)C(=C1)C1=CC=C(F)C=C1 310265129 D01176 Blonanserin CHEMBL178803 DB09225 Zotepine BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist Approved; Investigational; Withdrawn Dibenzothiepins Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins "Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Thiepins; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates" CN(C)CCOC1=CC2=CC=CC=C2SC2=CC=C(Cl)C=C12 310265131 D01321 Zotepine CHEMBL285802 40003 DB09227 Barnidipine BE0000430 CACNA1C Q13936 CAC1C_HUMAN antagonist 7760349; 19416978; 11022040 "Kwan YW, Bangalore R, Lakitsh M, Glossmann H, Kass RS: Inhibition of cardiac L-type calcium channels by quaternary amlodipine: implications for pharmacokinetics and access to dihydropyridine binding site. J Mol Cell Cardiol. 1995 Jan;27(1):253-62.@@Tikhonov DB, Zhorov BS: Structural model for dihydropyridine binding to L-type calcium channels. J Biol Chem. 2009 Jul 10;284(28):19006-17. doi: 10.1074/jbc.M109.011296. Epub 2009 May 5.@@Yamaguchi S, Okamura Y, Nagao T, Adachi-Akahane S: Serine residue in the IIIS5-S6 linker of the L-type Ca2+ channel alpha 1C subunit is the critical determinant of the action of dihydropyridine Ca2+ channel agonists. J Biol Chem. 2000 Dec 29;275(52):41504-11. doi: 10.1074/jbc.M007165200." Experimental Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)O[C@H]1CCN(CC2=CC=CC=C2)C1 310265132 Barnidipine CHEMBL2103761 39879 DB09227 Barnidipine BE0000864 CACNA1H O95180 CAC1H_HUMAN antagonist 19401195 "Furukawa T, Nukada T, Namiki Y, Miyashita Y, Hatsuno K, Ueno Y, Yamakawa T, Isshiki T: Five different profiles of dihydropyridines in blocking T-type Ca(2+) channel subtypes (Ca(v)3.1 (alpha(1G)), Ca(v)3.2 (alpha(1H)), and Ca(v)3.3 (alpha(1I))) expressed in Xenopus oocytes. Eur J Pharmacol. 2009 Jun 24;613(1-3):100-7. doi: 10.1016/j.ejphar.2009.04.036. Epub 2009 May 3." Experimental Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)O[C@H]1CCN(CC2=CC=CC=C2)C1 310265132 Barnidipine CHEMBL2103761 39879 DB09228 Conestat alfa BE0001529 C1S P09871 C1S_HUMAN inhibitor 123251 "Harpel PC, Cooper NR: Studies on human plasma C1 inactivator-enzyme interactions. I. Mechanisms of interaction with C1s, plasmin, and trypsin. J Clin Invest. 1975 Mar;55(3):593-604." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Protease Inhibitors; Enzyme Inhibitors; Carbohydrates; Immunoproteins; Complement C1 Inactivator Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins; Drugs Used in Hereditary Angioedema; Angioedemas, Hereditary, drug therapy; Proteins; Glycoconjugates; Complement System Proteins; C1 inhibitors; Blood and Blood Forming Organs; Serpins; Peptides; Complement Inactivator Proteins; Serine Protease Inhibitors; Blood Proteins" 347910420 P05155 C1-inhibitor 1599831 DB09228 Conestat alfa BE0002440 KLKB1 P03952 KLKB1_HUMAN inhibitor 6184384 "van der Graaf F, Koedam JA, Bouma BN: Inactivation of kallikrein in human plasma. J Clin Invest. 1983 Jan;71(1):149-58." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Protease Inhibitors; Enzyme Inhibitors; Carbohydrates; Immunoproteins; Complement C1 Inactivator Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins; Drugs Used in Hereditary Angioedema; Angioedemas, Hereditary, drug therapy; Proteins; Glycoconjugates; Complement System Proteins; C1 inhibitors; Blood and Blood Forming Organs; Serpins; Peptides; Complement Inactivator Proteins; Serine Protease Inhibitors; Blood Proteins" 347910420 P05155 C1-inhibitor 1599831 DB09228 Conestat alfa BE0001021 F11 P03951 FA11_HUMAN inhibitor 16267649 "Cicardi M, Zingale L, Zanichelli A, Pappalardo E, Cicardi B: C1 inhibitor: molecular and clinical aspects. Springer Semin Immunopathol. 2005 Nov;27(3):286-98. Epub 2005 Nov 11." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Protease Inhibitors; Enzyme Inhibitors; Carbohydrates; Immunoproteins; Complement C1 Inactivator Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins; Drugs Used in Hereditary Angioedema; Angioedemas, Hereditary, drug therapy; Proteins; Glycoconjugates; Complement System Proteins; C1 inhibitors; Blood and Blood Forming Organs; Serpins; Peptides; Complement Inactivator Proteins; Serine Protease Inhibitors; Blood Proteins" 347910420 P05155 C1-inhibitor 1599831 DB09228 Conestat alfa BE0001088 PLAT P00750 TPA_HUMAN inhibitor 16267649 "Cicardi M, Zingale L, Zanichelli A, Pappalardo E, Cicardi B: C1 inhibitor: molecular and clinical aspects. Springer Semin Immunopathol. 2005 Nov;27(3):286-98. Epub 2005 Nov 11." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Protease Inhibitors; Enzyme Inhibitors; Carbohydrates; Immunoproteins; Complement C1 Inactivator Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins; Drugs Used in Hereditary Angioedema; Angioedemas, Hereditary, drug therapy; Proteins; Glycoconjugates; Complement System Proteins; C1 inhibitors; Blood and Blood Forming Organs; Serpins; Peptides; Complement Inactivator Proteins; Serine Protease Inhibitors; Blood Proteins" 347910420 P05155 C1-inhibitor 1599831 DB09229 Aranidipine BE0000430 CACNA1C Q13936 CAC1C_HUMAN antagonist Experimental Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Antiarrhythmic agents; Potential QTc-Prolonging Agents; QTc Prolonging Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; Pyridines COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)=O 310265133 D01562 Aranidipine CHEMBL2104030 DB09229 Aranidipine BE0002359 CACNA1D Q01668 CAC1D_HUMAN antagonist Experimental Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Antiarrhythmic agents; Potential QTc-Prolonging Agents; QTc Prolonging Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; Pyridines COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)=O 310265133 D01562 Aranidipine CHEMBL2104030 DB09229 Aranidipine BE0002355 CACNA1S Q13698 CAC1S_HUMAN antagonist Experimental Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Antiarrhythmic agents; Potential QTc-Prolonging Agents; QTc Prolonging Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; Pyridines COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)=O 310265133 D01562 Aranidipine CHEMBL2104030 DB09229 Aranidipine BE0000864 CACNA1H O95180 CAC1H_HUMAN inhibitor 19401195 "Furukawa T, Nukada T, Namiki Y, Miyashita Y, Hatsuno K, Ueno Y, Yamakawa T, Isshiki T: Five different profiles of dihydropyridines in blocking T-type Ca(2+) channel subtypes (Ca(v)3.1 (alpha(1G)), Ca(v)3.2 (alpha(1H)), and Ca(v)3.3 (alpha(1I))) expressed in Xenopus oocytes. Eur J Pharmacol. 2009 Jun 24;613(1-3):100-7. doi: 10.1016/j.ejphar.2009.04.036. Epub 2009 May 3." Experimental Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Antiarrhythmic agents; Potential QTc-Prolonging Agents; QTc Prolonging Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; Pyridines COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)=O 310265133 D01562 Aranidipine CHEMBL2104030 DB09231 Benidipine BE0008715 CACNA1C O00555 CAC1A_HUMAN antagonist 16565579 "Yao K, Nagashima K, Miki H: Pharmacological, pharmacokinetic, and clinical properties of benidipine hydrochloride, a novel, long-acting calcium channel blocker. J Pharmacol Sci. 2006 Apr;100(4):243-61. Epub 2006 Mar 25." Experimental N-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COC(=O)C1=C(C)NC(C)=C([C@@H]1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(CC2=CC=CC=C2)C1 310265135 Benidipine CHEMBL2105555 DB09231 Benidipine BE0002226 CACNA1B Q00975 CAC1B_HUMAN antagonist 16565579 "Yao K, Nagashima K, Miki H: Pharmacological, pharmacokinetic, and clinical properties of benidipine hydrochloride, a novel, long-acting calcium channel blocker. J Pharmacol Sci. 2006 Apr;100(4):243-61. Epub 2006 Mar 25." Experimental N-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COC(=O)C1=C(C)NC(C)=C([C@@H]1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(CC2=CC=CC=C2)C1 310265135 Benidipine CHEMBL2105555 DB09231 Benidipine BE0008716 CACNA1G Q9P0X4 CAC1I_HUMAN antagonist 16565579 "Yao K, Nagashima K, Miki H: Pharmacological, pharmacokinetic, and clinical properties of benidipine hydrochloride, a novel, long-acting calcium channel blocker. J Pharmacol Sci. 2006 Apr;100(4):243-61. Epub 2006 Mar 25." Experimental N-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents COC(=O)C1=C(C)NC(C)=C([C@@H]1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(CC2=CC=CC=C2)C1 310265135 Benidipine CHEMBL2105555 DB09232 Cilnidipine BE0002226 CACNA1B Q00975 CAC1B_HUMAN antagonist 25336921 "Lee J, Lee H, Jang K, Lim KS, Shin D, Yu KS: Evaluation of the pharmacokinetic and pharmacodynamic drug interactions between cilnidipine and valsartan, in healthy volunteers. Drug Des Devel Ther. 2014 Oct 8;8:1781-8. doi: 10.2147/DDDT.S68574. eCollection 2014." Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Antiarrhythmic agents; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Bradycardia-Causing Agents; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Substrates; Dihydropyridine Derivatives; Pyridines COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC\C=C\C1=CC=CC=C1 310265136 D01173 Cilnidipine CHEMBL452076 DB09232 Cilnidipine BE0008715 CACNA1C O00555 CAC1A_HUMAN antagonist 25336921 "Lee J, Lee H, Jang K, Lim KS, Shin D, Yu KS: Evaluation of the pharmacokinetic and pharmacodynamic drug interactions between cilnidipine and valsartan, in healthy volunteers. Drug Des Devel Ther. 2014 Oct 8;8:1781-8. doi: 10.2147/DDDT.S68574. eCollection 2014." Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Antiarrhythmic agents; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Bradycardia-Causing Agents; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Substrates; Dihydropyridine Derivatives; Pyridines COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC\C=C\C1=CC=CC=C1 310265136 D01173 Cilnidipine CHEMBL452076 DB09235 Efonidipine BE0000012 CACNA1I Q9P0X4 CAC1I_HUMAN antagonist 12070536 "Tanaka H, Shigenobu K: Efonidipine hydrochloride: a dual blocker of L- and T-type ca(2+) channels. Cardiovasc Drug Rev. 2002 Winter;20(1):81-92." Experimental Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Phenols; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Nitro Compounds; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Natriuretic Agents; Bradycardia-Causing Agents CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1 310265139 Efonidipine CHEMBL2074922 DB09235 Efonidipine BE0000430 CACNA1C Q13936 CAC1C_HUMAN 12070536 "Tanaka H, Shigenobu K: Efonidipine hydrochloride: a dual blocker of L- and T-type ca(2+) channels. Cardiovasc Drug Rev. 2002 Winter;20(1):81-92." Experimental Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Phenols; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Nitro Compounds; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Natriuretic Agents; Bradycardia-Causing Agents CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1 310265139 Efonidipine CHEMBL2074922 DB09235 Efonidipine BE0009739 CACNA1C O00305 CACB4_HUMAN blocker 16398057 Richard S: Vascular effects of calcium channel antagonists: new evidence. Drugs. 2005;65 Suppl 2:1-10. doi: 10.2165/00003495-200565002-00002. Experimental Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Phenols; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Nitro Compounds; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Natriuretic Agents; Bradycardia-Causing Agents CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1 310265139 Efonidipine CHEMBL2074922 DB09235 Efonidipine BE0004902 CACNG1 Q9P0X4 CAC1I_HUMAN inhibitor 18091748 "Shima E, Katsube M, Kato T, Kitagawa M, Hato F, Hino M, Takahashi T, Fujita H, Kitagawa S: Calcium channel blockers suppress cytokine-induced activation of human neutrophils. Am J Hypertens. 2008 Jan;21(1):78-84. doi: 10.1038/ajh.2007.13." Experimental Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Phenols; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Nitro Compounds; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Natriuretic Agents; Bradycardia-Causing Agents CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1 310265139 Efonidipine CHEMBL2074922 DB09235 Efonidipine BE0008716 CACNA1G Q9P0X4 CAC1I_HUMAN inhibitor 16398057 Richard S: Vascular effects of calcium channel antagonists: new evidence. Drugs. 2005;65 Suppl 2:1-10. doi: 10.2165/00003495-200565002-00002. Experimental Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Phenols; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Nitro Compounds; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Natriuretic Agents; Bradycardia-Causing Agents CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1 310265139 Efonidipine CHEMBL2074922 DB09235 Efonidipine BE0000864 CACNA1H O95180 CAC1H_HUMAN inhibitor 19401195 "Furukawa T, Nukada T, Namiki Y, Miyashita Y, Hatsuno K, Ueno Y, Yamakawa T, Isshiki T: Five different profiles of dihydropyridines in blocking T-type Ca(2+) channel subtypes (Ca(v)3.1 (alpha(1G)), Ca(v)3.2 (alpha(1H)), and Ca(v)3.3 (alpha(1I))) expressed in Xenopus oocytes. Eur J Pharmacol. 2009 Jun 24;613(1-3):100-7. doi: 10.1016/j.ejphar.2009.04.036. Epub 2009 May 3." Experimental Phenylbenzamines Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Phenols; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Nitro Compounds; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Natriuretic Agents; Bradycardia-Causing Agents CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1 310265139 Efonidipine CHEMBL2074922 DB09236 Lacidipine BE0008715 CACNA1C O00555 CAC1A_HUMAN antagonist 9051306 "Cerbai E, Giotti A, Mugelli A: Characteristics of L-type calcium channel blockade by lacidipine in guinea-pig ventricular myocytes. Br J Pharmacol. 1997 Feb;120(4):667-75. doi: 10.1038/sj.bjp.0700951." Approved; Investigational Cinnamic acid esters Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Cinnamic acid esters QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Mutagens; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; Potential QTc-Prolonging Agents; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1\C=C\C(=O)OC(C)(C)C)C(=O)OCC 310265140 D04657 Lacidipine CHEMBL460291 28382 DB09237 Levamlodipine BE0000430 CACNA1C Q13936 CAC1C_HUMAN antagonist 25966690; 30645721 "Striessnig J, Ortner NJ, Pinggera A: Pharmacology of L-type Calcium Channels: Novel Drugs for Old Targets? Curr Mol Pharmacol. 2015;8(2):110-22.@@Johnson R, Dludla P, Mabhida S, Benjeddou M, Louw J, February F: Pharmacogenomics of amlodipine and hydrochlorothiazide therapy and the quest for improved control of hypertension: a mini review. Heart Fail Rev. 2019 May;24(3):343-357. doi: 10.1007/s10741-018-09765-y." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Antiarrhythmic agents; Cytochrome P-450 CYP3A5 Substrates; Antihypertensive Agents Indicated for Hypertension; Cytochrome P-450 Substrates; Calcium Channel Blockers; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Nicotinic Acids; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Dihydropyridine Derivatives; Pyridines CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C1=CC=CC=C1Cl)C(=O)OC 310265141 Levamlodipine CHEMBL2111097 2376944 DB09237 Levamlodipine BE0002359 CACNA1D Q01668 CAC1D_HUMAN antagonist 30645721 "Johnson R, Dludla P, Mabhida S, Benjeddou M, Louw J, February F: Pharmacogenomics of amlodipine and hydrochlorothiazide therapy and the quest for improved control of hypertension: a mini review. Heart Fail Rev. 2019 May;24(3):343-357. doi: 10.1007/s10741-018-09765-y." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Antiarrhythmic agents; Cytochrome P-450 CYP3A5 Substrates; Antihypertensive Agents Indicated for Hypertension; Cytochrome P-450 Substrates; Calcium Channel Blockers; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Nicotinic Acids; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Dihydropyridine Derivatives; Pyridines CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C1=CC=CC=C1Cl)C(=O)OC 310265141 Levamlodipine CHEMBL2111097 2376944 DB09237 Levamlodipine BE0000005 NOS2 P35228 NOS2_HUMAN agonist 23959544 "He Y, Si D, Yang C, Ni L, Li B, Ding M, Yang P: The effects of amlodipine and S(-)-amlodipine on vascular endothelial function in patients with hypertension. Am J Hypertens. 2014 Jan;27(1):27-31. doi: 10.1093/ajh/hpt138. Epub 2013 Aug 19." Approved; Investigational Dihydropyridinecarboxylic acids and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Antiarrhythmic agents; Cytochrome P-450 CYP3A5 Substrates; Antihypertensive Agents Indicated for Hypertension; Cytochrome P-450 Substrates; Calcium Channel Blockers; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Nicotinic Acids; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Dihydropyridine Derivatives; Pyridines CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C1=CC=CC=C1Cl)C(=O)OC 310265141 Levamlodipine CHEMBL2111097 2376944 DB09238 Manidipine BE0008715 CACNA1C O00555 CAC1A_HUMAN blocker 15329044 "McKeage K, Scott LJ: Manidipine: a review of its use in the management of hypertension. Drugs. 2004;64(17):1923-40." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Dihydropyridine Derivatives; Pyridines; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Nitro Compounds; Cytochrome P-450 CYP2B6 Inhibitors (weak); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1 347827830 Manidipine CHEMBL1085699 29275 DB09238 Manidipine BE0008716 CACNA1G Q9P0X4 CAC1I_HUMAN inhibitor 15329044; 16398057 "McKeage K, Scott LJ: Manidipine: a review of its use in the management of hypertension. Drugs. 2004;64(17):1923-40.@@Richard S: Vascular effects of calcium channel antagonists: new evidence. Drugs. 2005;65 Suppl 2:1-10. doi: 10.2165/00003495-200565002-00002." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Dihydropyridine Derivatives; Pyridines; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Nitro Compounds; Cytochrome P-450 CYP2B6 Inhibitors (weak); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1 347827830 Manidipine CHEMBL1085699 29275 DB09238 Manidipine BE0000864 CACNA1H O95180 CAC1H_HUMAN inhibitor 19401195 "Furukawa T, Nukada T, Namiki Y, Miyashita Y, Hatsuno K, Ueno Y, Yamakawa T, Isshiki T: Five different profiles of dihydropyridines in blocking T-type Ca(2+) channel subtypes (Ca(v)3.1 (alpha(1G)), Ca(v)3.2 (alpha(1H)), and Ca(v)3.3 (alpha(1I))) expressed in Xenopus oocytes. Eur J Pharmacol. 2009 Jun 24;613(1-3):100-7. doi: 10.1016/j.ejphar.2009.04.036. Epub 2009 May 3." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Dihydropyridine Derivatives; Pyridines; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Nitro Compounds; Cytochrome P-450 CYP2B6 Inhibitors (weak); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1 347827830 Manidipine CHEMBL1085699 29275 DB09238 Manidipine BE0000012 CACNA1I Q9P0X4 CAC1I_HUMAN inhibitor 19401195 "Furukawa T, Nukada T, Namiki Y, Miyashita Y, Hatsuno K, Ueno Y, Yamakawa T, Isshiki T: Five different profiles of dihydropyridines in blocking T-type Ca(2+) channel subtypes (Ca(v)3.1 (alpha(1G)), Ca(v)3.2 (alpha(1H)), and Ca(v)3.3 (alpha(1I))) expressed in Xenopus oocytes. Eur J Pharmacol. 2009 Jun 24;613(1-3):100-7. doi: 10.1016/j.ejphar.2009.04.036. Epub 2009 May 3." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Dihydropyridine Derivatives; Pyridines; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Nitro Compounds; Cytochrome P-450 CYP2B6 Inhibitors (weak); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1 347827830 Manidipine CHEMBL1085699 29275 DB09241 Methylene blue BE0003578 GUCY1A2 P33402 GCYA2_HUMAN inhibitor 21547182; 27047301; 10439772; 19760660 "Ginimuge PR, Jyothi SD: Methylene blue: revisited. J Anaesthesiol Clin Pharmacol. 2010 Oct;26(4):517-20.@@Evora PR: Methylene Blue Is a Guanylate Cyclase Inhibitor That Does Not Interfere with Nitric Oxide Synthesis. Tex Heart Inst J. 2016 Feb 1;43(1):103. doi: 10.14503/THIJ-15-5629. eCollection 2016 Feb.@@Masaki E, Kondo I: Methylene blue, a soluble guanylyl cyclase inhibitor, reduces the sevoflurane minimum alveolar anesthetic concentration and decreases the brain cyclic guanosine monophosphate content in rats. Anesth Analg. 1999 Aug;89(2):484-9. doi: 10.1097/00000539-199908000-00045.@@Oz M, Lorke DE, Hasan M, Petroianu GA: Cellular and molecular actions of Methylene Blue in the nervous system. Med Res Rev. 2011 Jan;31(1):93-117. doi: 10.1002/med.20177." Approved; Investigational Benzothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; OCT2 Inhibitors; Enzyme Inhibitors; Gastric Function; Cytochrome P-450 CYP1A2 Inducers; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Oxidation-Reduction Agent; UGT1A9 Inhibitors; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Tests for Gastric Secretion; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Antidotes; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; UGT1A4 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; MATE inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Monoamine Oxidase Inhibitors; MATE 2 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" [Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1 7160 310265144 Methylene_blue CHEMBL405110 6878 DB09241 Methylene blue BE0000067 NOS1 P29475 NOS1_HUMAN inhibitor 7679577; 21547182; 10224309; 19760660 "Mayer B, Brunner F, Schmidt K: Inhibition of nitric oxide synthesis by methylene blue. Biochem Pharmacol. 1993 Jan 26;45(2):367-74. doi: 10.1016/0006-2952(93)90072-5.@@Ginimuge PR, Jyothi SD: Methylene blue: revisited. J Anaesthesiol Clin Pharmacol. 2010 Oct;26(4):517-20.@@Volke V, Wegener G, Vasar E, Rosenberg R: Methylene blue inhibits hippocampal nitric oxide synthase activity in vivo. Brain Res. 1999 May 1;826(2):303-5. doi: 10.1016/s0006-8993(99)01253-6.@@Oz M, Lorke DE, Hasan M, Petroianu GA: Cellular and molecular actions of Methylene Blue in the nervous system. Med Res Rev. 2011 Jan;31(1):93-117. doi: 10.1002/med.20177." Approved; Investigational Benzothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; OCT2 Inhibitors; Enzyme Inhibitors; Gastric Function; Cytochrome P-450 CYP1A2 Inducers; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Oxidation-Reduction Agent; UGT1A9 Inhibitors; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Tests for Gastric Secretion; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Antidotes; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; UGT1A4 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; MATE inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Monoamine Oxidase Inhibitors; MATE 2 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" [Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1 7160 310265144 Methylene_blue CHEMBL405110 6878 DB09242 Moxonidine BE0003580 NISCH Q9Y2I1 NISCH_HUMAN agonist 8380858; 7791087 "Ernsberger P, Damon TH, Graff LM, Schafer SG, Christen MO: Moxonidine, a centrally acting antihypertensive agent, is a selective ligand for I1-imidazoline sites. J Pharmacol Exp Ther. 1993 Jan;264(1):172-82.@@Buccafusco JJ, Lapp CA, Westbrooks KL, Ernsberger P: Role of medullary I1-imidazoline and alpha 2-adrenergic receptors in the antihypertensive responses evoked by central administration of clonidine analogs in conscious spontaneously hypertensive rats. J Pharmacol Exp Ther. 1995 Jun;273(3):1162-71." Approved; Investigational Halopyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Hypotensive Agents; Cardiovascular Agents; Antiadrenergic Agents, Centrally Acting; Imidazoline Receptor Agonists; Adrenergic Agonists; Adrenergic alpha-Agonists; Sympatholytics; Antihypertensive Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Agents that produce hypertension" COC1=NC(C)=NC(Cl)=C1NC1=NCCN1 310265145 D05087 Moxonidine CHEMBL19236 30257 DB09257 Gimeracil BE0000960 DPYD Q12882 DPYD_HUMAN inhibitor Approved Pyridinones Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines Drugs that are Mainly Renally Excreted OC1=CC(=O)NC=C1Cl 310265159 D01846 CHEMBL1730601 DB09258 Bemiparin BE0000216 F10 P00742 FA10_HUMAN antagonist Approved; Investigational Heparin (Low Molecular Weight); Glycosaminoglycans; Agents causing hyperkalemia; Blood and Blood Forming Organs; Carbohydrates; Heparin and similars; Anticoagulants; Hematologic Agents; Polysaccharides 347910422 Bemiparin_sodium 280611 DB09258 Bemiparin BE0000775 SERPIND1 P05546 HEP2_HUMAN antagonist Approved; Investigational Heparin (Low Molecular Weight); Glycosaminoglycans; Agents causing hyperkalemia; Blood and Blood Forming Organs; Carbohydrates; Heparin and similars; Anticoagulants; Hematologic Agents; Polysaccharides 347910422 Bemiparin_sodium 280611 DB09262 Imidafenacin BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 27430986 "Kuraoka S, Ito Y, Wakuda H, Shinozuka K, Onoue S, Yamada S: Characterization of muscarinic receptor binding by the novel radioligand, [(3)H]imidafenacin, in the bladder and other tissues of rats. J Pharmacol Sci. 2016 Jul;131(3):184-9. doi: 10.1016/j.jphs.2016.06.002. Epub 2016 Jun 23." Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Anticholinergic Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Cytochrome P-450 Substrates; UGT1A4 substrates; Cytochrome P-450 CYP3A Substrates; Urologicals; Agents producing tachycardia; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates; Genito Urinary System and Sex Hormones CC1=NC=CN1CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1 310265160 Imidafenacin CHEMBL53366 DB09262 Imidafenacin BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 27430986 "Kuraoka S, Ito Y, Wakuda H, Shinozuka K, Onoue S, Yamada S: Characterization of muscarinic receptor binding by the novel radioligand, [(3)H]imidafenacin, in the bladder and other tissues of rats. J Pharmacol Sci. 2016 Jul;131(3):184-9. doi: 10.1016/j.jphs.2016.06.002. Epub 2016 Jun 23." Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes Anticholinergic Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Cytochrome P-450 Substrates; UGT1A4 substrates; Cytochrome P-450 CYP3A Substrates; Urologicals; Agents producing tachycardia; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates; Genito Urinary System and Sex Hormones CC1=NC=CN1CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1 310265160 Imidafenacin CHEMBL53366 DB09265 Lixisenatide BE0000857 GLP1R P43220 GLP1R_HUMAN agonist 24373234; 28086882; 26824365; 27981757 "Nadkarni P, Chepurny OG, Holz GG: Regulation of glucose homeostasis by GLP-1. Prog Mol Biol Transl Sci. 2014;121:23-65. doi: 10.1016/B978-0-12-800101-1.00002-8.@@Lorenz M, Lawson F, Owens D, Raccah D, Roy-Duval C, Lehmann A, Perfetti R, Blonde L: Differential effects of glucagon-like peptide-1 receptor agonists on heart rate. Cardiovasc Diabetol. 2017 Jan 13;16(1):6. doi: 10.1186/s12933-016-0490-6.@@Gallwitz B: Novel Therapeutic Approaches in Diabetes. Endocr Dev. 2016;31:43-56. doi: 10.1159/000439372. Epub 2016 Jan 19.@@Htike ZZ, Zaccardi F, Papamargaritis D, Webb DR, Khunti K, Davies MJ: Efficacy and safety of glucagon-like peptide-1 receptor agonists in type 2 diabetes: A systematic review and mixed-treatment comparison analysis. Diabetes Obes Metab. 2017 Apr;19(4):524-536. doi: 10.1111/dom.12849. Epub 2017 Feb 17." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; GLP-1 Agonists; Glucagon-like peptide-1 (GLP-1) analogues; Membrane Proteins; Receptors, Gastrointestinal Hormone; Incretin Mimetics; Proteins; Drugs that are Mainly Renally Excreted; Receptors, G-Protein-Coupled; Receptors, Peptide; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Glucagon-Like Peptide Receptors" 22870 310265161 D09729 Lixisenatide CHEMBL2108336 1440051 DB09266 Technetium Tc-99m tilmanocept BE0009334 MRC1 P22897 MRC1_HUMAN ligand Approved; Investigational Diagnostic Radiopharmaceuticals; Technetium (99Mtc) Compounds; Tumour Detection; Radiopharmaceutical Activity; Radioactive Diagnostic Agent 347910428 1373391 DB09270 Ubidecarenone BE0000027 NDUFV3 P56181 NDUV3_HUMAN cofactor 16551570 "Bhagavan HN, Chopra RK: Coenzyme Q10: absorption, tissue uptake, metabolism and pharmacokinetics. Free Radic Res. 2006 May;40(5):445-53. doi: 10.1080/10715760600617843." Approved; Investigational; Nutraceutical Ubiquinones Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids "Agents Causing Muscle Toxicity; Benzoquinones; Quinones; Physiological Phenomena; Vitamins; Coenzymes; Cardiac Therapy; Diet, Food, and Nutrition; Hypoglycemia-Associated Agents; Enzymes and Coenzymes; Food; Electron Transport Chain Complex Proteins; Ubiquinone; Other Nutritional Agents; P-glycoprotein substrates; Micronutrients" COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O 1357 310265165 D01065 Coenzyme_Q10 CHEMBL454801 21406 DB09270 Ubidecarenone BE0000176 SDHA P31040 SDHA_HUMAN cofactor 16551570 "Bhagavan HN, Chopra RK: Coenzyme Q10: absorption, tissue uptake, metabolism and pharmacokinetics. Free Radic Res. 2006 May;40(5):445-53. doi: 10.1080/10715760600617843." Approved; Investigational; Nutraceutical Ubiquinones Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids "Agents Causing Muscle Toxicity; Benzoquinones; Quinones; Physiological Phenomena; Vitamins; Coenzymes; Cardiac Therapy; Diet, Food, and Nutrition; Hypoglycemia-Associated Agents; Enzymes and Coenzymes; Food; Electron Transport Chain Complex Proteins; Ubiquinone; Other Nutritional Agents; P-glycoprotein substrates; Micronutrients" COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O 1357 310265165 D01065 Coenzyme_Q10 CHEMBL454801 21406 DB09272 Eluxadoline BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 25261794; 23583433 "Fujita W, Gomes I, Dove LS, Prohaska D, McIntyre G, Devi LA: Molecular characterization of eluxadoline as a potential ligand targeting mu-delta opioid receptor heteromers. Biochem Pharmacol. 2014 Dec 1;92(3):448-56. doi: 10.1016/j.bcp.2014.09.015. Epub 2014 Sep 28.@@Dove LS, Lembo A, Randall CW, Fogel R, Andrae D, Davenport JM, McIntyre G, Almenoff JS, Covington PS: Eluxadoline benefits patients with irritable bowel syndrome with diarrhea in a phase 2 study. Gastroenterology. 2013 Aug;145(2):329-38.e1. doi: 10.1053/j.gastro.2013.04.006. Epub 2013 Apr 9." Approved; Investigational Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; OATP1B1/SLCO1B1 Substrates; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Antipropulsives; Amino Acids, Aromatic; Miscellaneous GI Drugs; Alimentary Tract and Metabolism; Amino Acids; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Receptors, Opioid, delta, antagonists & inhibitors; mu-Opioid Receptor Agonist; Amino Acids, Cyclic; Mixed Agonist / Antagonist Opioids; Opioids" COC1=CC=C(CN([C@@H](C)C2=NC(=CN2)C2=CC=CC=C2)C(=O)[C@@H](N)CC2=C(C)C=C(C=C2C)C(N)=O)C=C1C(O)=O 22846 310265167 D10403 Eluxadoline CHEMBL2159122 1653781 DB09272 Eluxadoline BE0000420 OPRD1 P41143 OPRD_HUMAN antagonist 25261794 "Fujita W, Gomes I, Dove LS, Prohaska D, McIntyre G, Devi LA: Molecular characterization of eluxadoline as a potential ligand targeting mu-delta opioid receptor heteromers. Biochem Pharmacol. 2014 Dec 1;92(3):448-56. doi: 10.1016/j.bcp.2014.09.015. Epub 2014 Sep 28." Approved; Investigational Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; OATP1B1/SLCO1B1 Substrates; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Antipropulsives; Amino Acids, Aromatic; Miscellaneous GI Drugs; Alimentary Tract and Metabolism; Amino Acids; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Receptors, Opioid, delta, antagonists & inhibitors; mu-Opioid Receptor Agonist; Amino Acids, Cyclic; Mixed Agonist / Antagonist Opioids; Opioids" COC1=CC=C(CN([C@@H](C)C2=NC(=CN2)C2=CC=CC=C2)C(=O)[C@@H](N)CC2=C(C)C=C(C=C2C)C(N)=O)C=C1C(O)=O 22846 310265167 D10403 Eluxadoline CHEMBL2159122 1653781 DB09273 Doxofylline BE0000924 ADORA2A P29274 AA2AR_HUMAN antagonist 22138191 "van Mastbergen J, Jolas T, Allegra L, Page CP: The mechanism of action of doxofylline is unrelated to HDAC inhibition, PDE inhibition or adenosine receptor antagonism. Pulm Pharmacol Ther. 2012 Feb;25(1):55-61. doi: 10.1016/j.pupt.2011.10.007. Epub 2011 Nov 25." Experimental Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Adrenergic beta-Agonists; Purines; Enzyme Inhibitors; Anti-Asthmatic Agents; Agents producing tachycardia; Autonomic Agents; Cytochrome P-450 Substrates; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Antitussive Agents; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Purinones; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Central Nervous System Agents; Adrenergic beta-2 Receptor Agonists; Phosphodiesterase 5 Inhibitors; Cytochrome P-450 CYP1A2 Substrates" CN1C2=C(N(CC3OCCO3)C=N2)C(=O)N(C)C1=O 310265168 D03898 Doxofylline CHEMBL1527608 DB09273 Doxofylline BE0002085 PDE2A O00408 PDE2A_HUMAN inhibitor 22138191 "van Mastbergen J, Jolas T, Allegra L, Page CP: The mechanism of action of doxofylline is unrelated to HDAC inhibition, PDE inhibition or adenosine receptor antagonism. Pulm Pharmacol Ther. 2012 Feb;25(1):55-61. doi: 10.1016/j.pupt.2011.10.007. Epub 2011 Nov 25." Experimental Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "Adrenergic beta-Agonists; Purines; Enzyme Inhibitors; Anti-Asthmatic Agents; Agents producing tachycardia; Autonomic Agents; Cytochrome P-450 Substrates; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Antitussive Agents; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Purinones; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Central Nervous System Agents; Adrenergic beta-2 Receptor Agonists; Phosphodiesterase 5 Inhibitors; Cytochrome P-450 CYP1A2 Substrates" CN1C2=C(N(CC3OCCO3)C=N2)C(=O)N(C)C1=O 310265168 D03898 Doxofylline CHEMBL1527608 DB09280 Lumacaftor BE0001195 CFTR P13569 CFTR_HUMAN modulator 26416827 "Kuk K, Taylor-Cousar JL: Lumacaftor and ivacaftor in the management of patients with cystic fibrosis: current evidence and future prospects. Ther Adv Respir Dis. 2015 Dec;9(6):313-26. doi: 10.1177/1753465815601934. Epub 2015 Sep 28." Approved Phenylpyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines "Amines; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dioxoles; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers" CC1=CC=C(NC(=O)C2(CC2)C2=CC=C3OC(F)(F)OC3=C2)N=C1C1=CC(=CC=C1)C(O)=O 22685 310265173 D10134 PA166114483 Lumacaftor CHEMBL2103870 1655922 DB09282 Molsidomine BE0003578 GUCY1A2 P33402 GCYA2_HUMAN agonist 2983523 "Kukovetz WR, Holzmann S: Mechanism of vasodilation by molsidomine. Am Heart J. 1985 Mar;109(3 Pt 2):637-40." Approved; Investigational Morpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines Cardiovascular Agents; Nitric Oxide Donors; Vasodilators Used in Cardiac Diseases; Cardiac Therapy; Vasodilating Agents; Oxazines; Morpholines; Sydnones; Oxadiazoles; Oxazoles CCOC(=O)[N-]C1=C[N+](=NO1)N1CCOCC1 310265175 D01320 Molsidomine CHEMBL1329455 7023 DB09283 Trapidil BE0004922 PDE1A P35913 PDE6B_HUMAN inhibitor 6086387 "Mazurov AV, Menshikov MYu, Leytin VL, Tkachuk VA, Repin VS: Decrease of platelet aggregation and spreading via inhibition of the cAMP phosphodiesterase by trapidil. FEBS Lett. 1984 Jul 9;172(2):167-71." Experimental Triazolopyrimidines Organic compounds; Organoheterocyclic compounds; Triazolopyrimidines Cardiovascular Agents; Vasodilators Used in Cardiac Diseases; Cardiac Therapy; Enzyme Inhibitors; Vasodilating Agents; Hematologic Agents; Pyrimidines; Triazoles; Antiplatelet agents; Phosphodiesterase Inhibitors CCN(CC)C1=CC(C)=NC2=NC=NN12 310265176 Trapidil CHEMBL132767 10735 DB09285 Morniflumate BE0000759 TBXA2R P21731 TA2R_HUMAN Experimental Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes "UGT1A9 Inhibitors; Musculo-Skeletal System; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Acids, Carbocyclic; Anti-Inflammatory Agents; Benzoates; ortho-Aminobenzoates; Pyridines; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Nephrotoxic agents; Nicotinic Acids; Agents that produce hypertension; Benzene Derivatives; Fenamates; Aminobenzoates" FC(F)(F)C1=CC(NC2=C(C=CC=N2)C(=O)OCCN2CCOCC2)=CC=C1 310265178 D05078 Morniflumate CHEMBL2105059 30225 DB09286 Pipamperone BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist 8935801 "Schotte A, Janssen PF, Gommeren W, Luyten WH, Van Gompel P, Lesage AS, De Loore K, Leysen JE: Risperidone compared with new and reference antipsychotic drugs: in vitro and in vivo receptor binding. Psychopharmacology (Berl). 1996 Mar;124(1-2):57-73." Investigational Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Ketones; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)N1CCCCC1 310265179 D02622 Pipamperone CHEMBL440294 33739 DB09286 Pipamperone BE0000581 DRD3 P35462 DRD3_HUMAN Investigational Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Ketones; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)N1CCCCC1 310265179 D02622 Pipamperone CHEMBL440294 33739 DB09286 Pipamperone BE0000393 HTR2B P41595 5HT2B_HUMAN Investigational Alkyl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Ketones; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)N1CCCCC1 310265179 D02622 Pipamperone CHEMBL440294 33739 DB09288 Propacetamol BE0000061 CNR1 P21554 CNR1_HUMAN antagonist Experimental Alpha amino acid esters "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Non COX-2 selective NSAIDS; Sensory System Agents; Amines; Acetaminophen and Prodrugs; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; Amides; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Prodrugs; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Analgesics, Non-Narcotic; Agents that produce hypertension; Anilides; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Aniline Compounds; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cholinesterase substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Nervous System; Acetanilides; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; UGT1A6 substrate" CCN(CC)CC(=O)OC1=CC=C(NC(C)=O)C=C1 310265180 D07294 Propacetamol CHEMBL1851805 DB09289 Tianeptine BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 25026323; 28303899 "Gassaway MM, Rives ML, Kruegel AC, Javitch JA, Sames D: The atypical antidepressant and neurorestorative agent tianeptine is a mu-opioid receptor agonist. Transl Psychiatry. 2014 Jul 15;4:e411. doi: 10.1038/tp.2014.30.@@Samuels BA, Nautiyal KM, Kruegel AC, Levinstein MR, Magalong VM, Gassaway MM, Grinnell SG, Han J, Ansonoff MA, Pintar JE, Javitch JA, Sames D, Hen R: The Behavioral Effects of the Antidepressant Tianeptine Require the Mu-Opioid Receptor. Neuropsychopharmacology. 2017 Sep;42(10):2052-2063. doi: 10.1038/npp.2017.60. Epub 2017 Mar 17." Investigational Medium-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Azepines; Thiepins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Serotonin Modulators; Agents Causing Muscle Toxicity; Antidepressive Agents, Tricyclic; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Nervous System; Sulfur Compounds; Narrow Therapeutic Index Drugs" CN1C2=CC=CC=C2C(NCCCCCCC(O)=O)C2=C(C=C(Cl)C=C2)S1(=O)=O 310265181 D02575 Tianeptine CHEMBL1289110 38252 DB09289 Tianeptine BE0000640 GRIA1 P42261 GRIA1_HUMAN modulator 19704408 "McEwen BS, Chattarji S, Diamond DM, Jay TM, Reagan LP, Svenningsson P, Fuchs E: The neurobiological properties of tianeptine (Stablon): from monoamine hypothesis to glutamatergic modulation. Mol Psychiatry. 2010 Mar;15(3):237-49. doi: 10.1038/mp.2009.80. Epub 2009 Aug 25." Investigational Medium-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Azepines; Thiepins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Serotonin Modulators; Agents Causing Muscle Toxicity; Antidepressive Agents, Tricyclic; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Nervous System; Sulfur Compounds; Narrow Therapeutic Index Drugs" CN1C2=CC=CC=C2C(NCCCCCCC(O)=O)C2=C(C=C(Cl)C=C2)S1(=O)=O 310265181 D02575 Tianeptine CHEMBL1289110 38252 DB09289 Tianeptine BE0000581 DRD3 P35462 DRD3_HUMAN agonist 11981225 "Dziedzicka-Wasylewska M, Rogoz Z, Skuza G, Dlaboga D, Maj J: Effect of repeated treatment with tianeptine and fluoxetine on central dopamine D(2) /D(3) receptors. Behav Pharmacol. 2002 Mar;13(2):127-38." Investigational Medium-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Azepines; Thiepins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Serotonin Modulators; Agents Causing Muscle Toxicity; Antidepressive Agents, Tricyclic; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Nervous System; Sulfur Compounds; Narrow Therapeutic Index Drugs" CN1C2=CC=CC=C2C(NCCCCCCC(O)=O)C2=C(C=C(Cl)C=C2)S1(=O)=O 310265181 D02575 Tianeptine CHEMBL1289110 38252 DB09291 Rolapitant BE0000384 TACR1 P25103 NK1R_HUMAN antagonist 22497992 "Duffy RA, Morgan C, Naylor R, Higgins GA, Varty GB, Lachowicz JE, Parker EM: Rolapitant (SCH 619734): a potent, selective and orally active neurokinin NK1 receptor antagonist with centrally-mediated antiemetic effects in ferrets. Pharmacol Biochem Behav. 2012 Jul;102(1):95-100. doi: 10.1016/j.pbb.2012.03.021. Epub 2012 Mar 31." Approved; Investigational Delta amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; BCRP/ABCG2 Inhibitors; Antiemetics and Antinauseants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Neurokinin-1 Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurokinin 1 Antagonists; Substance P/Neurokinin-1 Receptor Antagonist; Cytochrome P-450 CYP3A4 Substrates; Alimentary Tract and Metabolism C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)C1=CC=CC=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F 310265183 D10742 Rolapitant CHEMBL3707331 1665496 DB09292 Sacubitril BE0000266 MME P08473 NEP_HUMAN antagonist Approved Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives "Hypotensive Agents; OATP1B1/SLCO1B1 Inhibitors; Amino Acids; OATP1B3 inhibitors; Pharmaceutical Preparations; Amino Acids, Essential; Tetrazoles; Agents causing angioedema; Amino Acids, Branched-Chain; Neprilysin, antagonists & inhibitors; Acids, Acyclic; Drugs that are Mainly Renally Excreted; Benzene Derivatives; Amino Acids, Peptides, and Proteins; Butyrates; Neprilysin Inhibitor" CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)NC(=O)CCC(O)=O 22647 310265184 D10225 PA166131580 Sacubitril CHEMBL3137301 1656328 DB09300 Butylscopolamine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 17547475 Tytgat GN: Hyoscine butylbromide: a review of its use in the treatment of abdominal cramping and pain. Drugs. 2007;67(9):1343-57. Approved; Investigational; Vet_approved "Quaternary Ammonium Compounds; Amines; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Belladonna and Derivatives, Plain; Alkaloids; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Scopolamine Derivatives; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Belladonna Alkaloids, Semisynthetic, Quaternary Ammonium Compounds" CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1 9008 310265192 D01451 Hyoscine_butylbromide CHEMBL1618102 1085787 DB09300 Butylscopolamine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 17547475 Tytgat GN: Hyoscine butylbromide: a review of its use in the treatment of abdominal cramping and pain. Drugs. 2007;67(9):1343-57. Approved; Investigational; Vet_approved "Quaternary Ammonium Compounds; Amines; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Belladonna and Derivatives, Plain; Alkaloids; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Scopolamine Derivatives; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Belladonna Alkaloids, Semisynthetic, Quaternary Ammonium Compounds" CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1 9008 310265192 D01451 Hyoscine_butylbromide CHEMBL1618102 1085787 DB09304 Setiptiline BE0004862 HTR1A P34969 5HT7R_HUMAN antagonist 2806365 "Tohda M, Takasu T, Nomura Y: Effects of antidepressants on serotonin-evoked current in Xenopus oocytes injected with rat brain mRNA. Eur J Pharmacol. 1989 Jul 4;166(1):57-63." Experimental Dibenzocycloheptenes Organic compounds; Benzenoids; Dibenzocycloheptenes "Dibenzazepines; Antidepressive Agents, Tetracyclic; Heterocyclic Compounds, Fused-Ring" CN1CCC2=C(C1)C1=CC=CC=C1CC1=CC=CC=C21 310265193 D08511 Setiptiline CHEMBL2104895 DB09310 Catridecacog BE0009075 F13B P05160 F13B_HUMAN Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Blood and Blood Forming Organs; Blood Coagulation Factors; Hemostatics 21399 347910434 D10532 Catridecacog CHEMBL2108282 1488293 DB09317 "Synthetic Conjugated Estrogens, A" BE0000123 ESR1 P03372 ESR1_HUMAN ligand Approved "Gonadal Steroid Hormones; Cytochrome P-450 Substrates; Gonadal Hormones; Estrogens; Cytochrome P-450 CYP3A Substrates; Drugs that are Mainly Renally Excreted; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 347910437 Conjugated_estrogen CHEMBL1201649 253166 DB09318 "Synthetic Conjugated Estrogens, B" BE0000123 ESR1 P03372 ESR1_HUMAN ligand Approved "Gonadal Steroid Hormones; Cytochrome P-450 Substrates; Gonadal Hormones; Estrogens; Cytochrome P-450 CYP3A Substrates; Drugs that are Mainly Renally Excreted; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 347910438 D05987 Conjugated_estrogen CHEMBL1201467 618365 DB09327 Tegafur-uracil BE0000960 DPYD Q12882 DPYD_HUMAN antagonist 12950123 "Kim DJ, Kim TI, Suh JH, Cho YS, Shin SK, Kang JK, Kim NK, Kim WH: Oral tegafur-uracil plus folinic acid versus intravenous 5-fluorouracil plus folinic acid as adjuvant chemotherapy of colon cancer. Yonsei Med J. 2003 Aug 30;44(4):665-75. doi: 10.3349/ymj.2003.44.4.665." Approved; Investigational Halopyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives Cytochrome P-450 Substrates; Cytochrome P-450 CYP2A6 Substrates O=C1NC=CC(=O)N1.FC1=CN(C2CCCO2)C(=O)NC1=O 310265209 Tegafur-uracil DB09329 "Antihemophilic factor (recombinant), PEGylated" BE0001043 VWF P04275 VWF_HUMAN binder 6424437; 23398640 "Chavin SI: Factor VIII: structure and function in blood clotting. Am J Hematol. 1984 Apr;16(3):297-306.@@Tiede A, Brand B, Fischer R, Kavakli K, Lentz SR, Matsushita T, Rea C, Knobe K, Viuff D: Enhancing the pharmacokinetic properties of recombinant factor VIII: first-in-human trial of glycoPEGylated recombinant factor VIII in patients with hemophilia A. J Thromb Haemost. 2013 Apr;11(4):670-8. doi: 10.1111/jth.12161." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Protein Precursors; Biological Factors; Glycols; Hemostatics; Polymers; Alcohols; Pegylated agents; Proteins; Blood Coagulation Factors; Drugs that are Mainly Renally Excreted; Ethylene Glycols; Blood Proteins; Human Antihemophilic Factors; Macromolecular Substances; Amino Acids, Peptides, and Proteins; Compounds used in a research, industrial, or household setting" 22819 347910440 1741397 DB09330 Osimertinib BE0000767 EGFR P00533 EGFR_HUMAN inhibitor 26522274; 34104899 "Yosaatmadja Y, Silva S, Dickson JM, Patterson AV, Smaill JB, Flanagan JU, McKeage MJ, Squire CJ: Binding mode of the breakthrough inhibitor AZD9291 to epidermal growth factor receptor revealed. J Struct Biol. 2015 Dec;192(3):539-44. doi: 10.1016/j.jsb.2015.10.018. Epub 2015 Nov 2.@@Vasconcelos PENS, Gergis C, Viray H, Varkaris A, Fujii M, Rangachari D, VanderLaan PA, Kobayashi IS, Kobayashi SS, Costa DB: EGFR-A763_Y764insFQEA Is a Unique Exon 20 Insertion Mutation That Displays Sensitivity to Approved and In-Development Lung Cancer EGFR Tyrosine Kinase Inhibitors. JTO Clin Res Rep. 2020 Sep;1(3). doi: 10.1016/j.jtocrr.2020.100051. Epub 2020 May 13." Approved N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles "Amines; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Heterocyclic Compounds, Fused-Ring; Acrylates; Acids, Acyclic; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" COC1=C(NC2=NC=CC(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C 22731 310265210 PA166131626 Osimertinib CHEMBL3353410 1721560 DB09331 Daratumumab BE0005459 CD38 P28907 CD38_HUMAN antibody 21187443 "de Weers M, Tai YT, van der Veer MS, Bakker JM, Vink T, Jacobs DC, Oomen LA, Peipp M, Valerius T, Slootstra JW, Mutis T, Bleeker WK, Anderson KC, Lokhorst HM, van de Winkel JG, Parren PW: Daratumumab, a novel therapeutic human CD38 monoclonal antibody, induces killing of multiple myeloma and other hematological tumors. J Immunol. 2011 Feb 1;186(3):1840-8. doi: 10.4049/jimmunol.1003032. Epub 2010 Dec 27." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; CD38-directed Antibody Interactions; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Proteins; CD38 (Clusters of Differentiation 38) inhibitors; Antineoplastic Agents; Immunoglobulins; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; CD38-directed Cytolytic Antibody; Narrow Therapeutic Index Drugs; Blood Proteins" 22729 347910441 Daratumumab CHEMBL1743007 1721947 DB09332 Kappadione BE0000333 F7 P08709 FA7_HUMAN agonist Approved Naphthalenes Organic compounds; Benzenoids; Naphthalenes [Na+].[Na+].[Na+].[Na+].CC1=C(OP([O-])([O-])=O)C2=CC=CC=C2C(OP([O-])([O-])=O)=C1 310265211 Kappadione DB09332 Kappadione BE0000216 F10 P00742 FA10_HUMAN agonist Approved Naphthalenes Organic compounds; Benzenoids; Naphthalenes [Na+].[Na+].[Na+].[Na+].CC1=C(OP([O-])([O-])=O)C2=CC=CC=C2C(OP([O-])([O-])=O)=C1 310265211 Kappadione DB09334 Seractide acetate BE0000848 MC2R Q01718 ACTHR_HUMAN agonist Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" CHEMBL1201489 1999801 DB09336 Technetium Tc-99m nofetumomab merpentan BE0002446 EPCAM P16422 EPCAM_HUMAN binder Approved; Withdrawn "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Organometallic Compounds; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 347910442 DB09342 Propoxycaine BE0009738 SCN1A Q15858 SCN9A_HUMAN blocker 22053156 "Fozzard HA, Sheets MF, Hanck DA: The sodium channel as a target for local anesthetic drugs. Front Pharmacol. 2011 Nov 1;2:68. doi: 10.3389/fphar.2011.00068. eCollection 2011." Approved Benzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Sensory System Agents; Anesthetics, Local; Hydroxybenzoate Ethers; Central Nervous System Agents; Central Nervous System Depressants; Benzoates; Acids, Carbocyclic; Hydroxy Acids; Anesthetics; Hydroxybenzoates; Benzene Derivatives; Peripheral Nervous System Agents; para-Aminobenzoates; Aminobenzoates" CCCOC1=CC(N)=CC=C1C(=O)OCCN(CC)CC 310265217 Propoxycaine CHEMBL1195 DB09345 Pramocaine BE0009738 SCN1A Q15858 SCN9A_HUMAN blocker 22053156 "Fozzard HA, Sheets MF, Hanck DA: The sodium channel as a target for local anesthetic drugs. Front Pharmacol. 2011 Nov 1;2:68. doi: 10.3389/fphar.2011.00068. eCollection 2011." Approved Phenol ethers Organic compounds; Benzenoids; Phenol ethers "Sensory System Agents; Anesthetics, Local; Central Nervous System Agents; Central Nervous System Depressants; Antipruritics and Local Anesthetics; Oxazines; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Dermatologicals; Peripheral Nervous System Agents; Vasoprotectives; Anesthetics for Topical Use" CCCCOC1=CC=C(OCCCN2CCOCC2)C=C1 6343 310265219 Pramocaine CHEMBL1198 34347 DB09369 Polyestradiol phosphate BE0000123 ESR1 P03372 ESR1_HUMAN agonist 10230677 "Mikkola A, Ruutu M, Aro J, Rannikko S, Salo J: The role of parenteral polyestradiol phosphate in the treatment of advanced prostatic cancer on the threshold of the new millennium. Ann Chir Gynaecol. 1999;88(1):18-21." Approved "Fused-Ring Compounds; Steroids; Antineoplastic and Immunomodulating Agents; Gonadal Steroid Hormones; Endocrine Therapy; Gonadal Hormones; Estrogens; Hormones and Related Agents; Estranes; Hormones; Estradiol Congeners; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists" D07434 Polyestradiol_phosphate CHEMBL1201477 34120 DB09371 Norethynodrel BE0000123 ESR1 P03372 ESR1_HUMAN 20362049; 20435135 "Witters H, Freyberger A, Smits K, Vangenechten C, Lofink W, Weimer M, Bremer S, Ahr PH, Berckmans P: The assessment of estrogenic or anti-estrogenic activity of chemicals by the human stably transfected estrogen sensitive MELN cell line: results of test performance and transferability. Reprod Toxicol. 2010 Aug;30(1):60-72. doi: 10.1016/j.reprotox.2010.02.008. Epub 2010 Mar 31.@@van der Burg B, Winter R, Weimer M, Berckmans P, Suzuki G, Gijsbers L, Jonas A, van der Linden S, Witters H, Aarts J, Legler J, Kopp-Schneider A, Bremer S: Optimization and prevalidation of the in vitro ERalpha CALUX method to test estrogenic and antiestrogenic activity of compounds. Reprod Toxicol. 2010 Aug;30(1):73-80. doi: 10.1016/j.reprotox.2010.04.007. Epub 2010 May 8." Approved Oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids "Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])CC(=O)CC3 D05207 Norethynodrel CHEMBL1387 7515 DB09371 Norethynodrel BE0000132 AR P10275 ANDR_HUMAN 20438827 "van der Burg B, Winter R, Man HY, Vangenechten C, Berckmans P, Weimer M, Witters H, van der Linden S: Optimization and prevalidation of the in vitro AR CALUX method to test androgenic and antiandrogenic activity of compounds. Reprod Toxicol. 2010 Aug;30(1):18-24. doi: 10.1016/j.reprotox.2010.04.012. Epub 2010 May 10." Approved Oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids "Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])CC(=O)CC3 D05207 Norethynodrel CHEMBL1387 7515 DB09371 Norethynodrel BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Approved Oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids "Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])CC(=O)CC3 D05207 Norethynodrel CHEMBL1387 7515 DB09389 Norgestrel BE0000557 PGR P06401 PRGR_HUMAN binder 11521119 "Hammond GL, Rabe T, Wagner JD: Preclinical profiles of progestins used in formulations of oral contraceptives and hormone replacement therapy. Am J Obstet Gynecol. 2001 Aug;185(2 Suppl):S24-31." Approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents" CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C 7503 347827838 D00954 Norgestrel CHEMBL2107797 7518 DB09389 Norgestrel BE0000132 AR P10275 ANDR_HUMAN agonist 3139361 "Kloosterboer HJ, Vonk-Noordegraaf CA, Turpijn EW: Selectivity in progesterone and androgen receptor binding of progestagens used in oral contraceptives. Contraception. 1988 Sep;38(3):325-32." Approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents" CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C 7503 347827838 D00954 Norgestrel CHEMBL2107797 7518 DB09422 Soybean oil BE0000071 PPARA Q07869 PPARA_HUMAN activator 16651709 "Nishimura M, Yamaguchi M, Naito S, Yamauchi A: Soybean oil fat emulsion to prevent TPN-induced liver damage: possible molecular mechanisms and clinical implications. Biol Pharm Bull. 2006 May;29(5):855-62." Approved "Caloric Agents; Biological Products; Plant Oils; Plant Preparations; Physiological Phenomena; Complex Mixtures; Diet, Food, and Nutrition; Lipid Emulsion; Oils; Fats, Unsaturated; Lipids; Food; Dietary Fats, Unsaturated; Fats; Dietary Fats" 3289 347910452 Soybean_oil 9949 DB09456 Insulin beef BE0000033 INSR P06213 INSR_HUMAN agonist 27512793 De Meyts P: The Insulin Receptor and Its Signal Transduction Network . Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Insulin; Insulins and Analogues for Injection, Fast-Acting; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism" 347910453 DB09456 Insulin beef BE0000858 IGF1R P08069 IGF1R_HUMAN activator 22420005; 31771180; 25905175 "Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct.@@Sarfstein R, Nagaraj K, LeRoith D, Werner H: Differential Effects of Insulin and IGF1 Receptors on ERK and AKT Subcellular Distribution in Breast Cancer Cells. Cells. 2019 Nov 23;8(12). pii: cells8121499. doi: 10.3390/cells8121499.@@Donner T, Sarkar S: Insulin - Pharmacology, Therapeutic Regimens, and Principles of Intensive Insulin Therapy ." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Insulin; Insulins and Analogues for Injection, Fast-Acting; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism" 347910453 DB09460 Sodium carbonate BE0000322 CA2 P00918 CAH2_HUMAN inhibitor 17139284 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6." Approved Organic carbonic acids Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Organic carbonic acids "Anions; Ions; Alkalies; Carbonic Acid; Electrolytes; Carbon Compounds, Inorganic" [Na+].[Na+].[O-]C([O-])=O 6648 347827855 Sodium_carbonate CHEMBL186314 36685 DB09462 Glycerin BE0001007 PPARD Q03181 PPARD_HUMAN agonist Approved; Investigational Sugar alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Cryoprotective Agents; Sugar Alcohols; Irrigating Solutions; Carbohydrates; Basic Ointments and Protectants; Protective Agents; Cytochrome P-450 CYP2E1 Inducers; Increased IgG Production; Increased Histamine Release; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cell-mediated Immunity; Osmotic Laxatives; Other Cold and Cough Preparations; Alcohols; Non-Standardized Chemical Allergen; Alimentary Tract and Metabolism; Other Diagnostics; Compounds used in a research, industrial, or household setting; Enemas; Laxatives; Triose Sugar Alcohols; Solvents; Drugs for Constipation" OCC(O)CO 7104 347827856 D00028 PA449783 Glycerol CHEMBL692 4910 DB09462 Glycerin BE0004522 ITPR1 Q14643 ITPR1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Sugar alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Cryoprotective Agents; Sugar Alcohols; Irrigating Solutions; Carbohydrates; Basic Ointments and Protectants; Protective Agents; Cytochrome P-450 CYP2E1 Inducers; Increased IgG Production; Increased Histamine Release; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cell-mediated Immunity; Osmotic Laxatives; Other Cold and Cough Preparations; Alcohols; Non-Standardized Chemical Allergen; Alimentary Tract and Metabolism; Other Diagnostics; Compounds used in a research, industrial, or household setting; Enemas; Laxatives; Triose Sugar Alcohols; Solvents; Drugs for Constipation" OCC(O)CO 7104 347827856 D00028 PA449783 Glycerol CHEMBL692 4910 DB09462 Glycerin BE0004619 NAGA P17050 NAGAB_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Sugar alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Cryoprotective Agents; Sugar Alcohols; Irrigating Solutions; Carbohydrates; Basic Ointments and Protectants; Protective Agents; Cytochrome P-450 CYP2E1 Inducers; Increased IgG Production; Increased Histamine Release; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cell-mediated Immunity; Osmotic Laxatives; Other Cold and Cough Preparations; Alcohols; Non-Standardized Chemical Allergen; Alimentary Tract and Metabolism; Other Diagnostics; Compounds used in a research, industrial, or household setting; Enemas; Laxatives; Triose Sugar Alcohols; Solvents; Drugs for Constipation" OCC(O)CO 7104 347827856 D00028 PA449783 Glycerol CHEMBL692 4910 DB09462 Glycerin BE0003094 PAPSS1 O43252 PAPS1_HUMAN 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Approved; Investigational Sugar alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Cryoprotective Agents; Sugar Alcohols; Irrigating Solutions; Carbohydrates; Basic Ointments and Protectants; Protective Agents; Cytochrome P-450 CYP2E1 Inducers; Increased IgG Production; Increased Histamine Release; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cell-mediated Immunity; Osmotic Laxatives; Other Cold and Cough Preparations; Alcohols; Non-Standardized Chemical Allergen; Alimentary Tract and Metabolism; Other Diagnostics; Compounds used in a research, industrial, or household setting; Enemas; Laxatives; Triose Sugar Alcohols; Solvents; Drugs for Constipation" OCC(O)CO 7104 347827856 D00028 PA449783 Glycerol CHEMBL692 4910 DB09462 Glycerin BE0002517 TRDMT1 O14717 TRDMT_HUMAN Approved; Investigational Sugar alcohols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Cryoprotective Agents; Sugar Alcohols; Irrigating Solutions; Carbohydrates; Basic Ointments and Protectants; Protective Agents; Cytochrome P-450 CYP2E1 Inducers; Increased IgG Production; Increased Histamine Release; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cell-mediated Immunity; Osmotic Laxatives; Other Cold and Cough Preparations; Alcohols; Non-Standardized Chemical Allergen; Alimentary Tract and Metabolism; Other Diagnostics; Compounds used in a research, industrial, or household setting; Enemas; Laxatives; Triose Sugar Alcohols; Solvents; Drugs for Constipation" OCC(O)CO 7104 347827856 D00028 PA449783 Glycerol CHEMBL692 4910 DB09472 Sodium sulfate BE0000322 CA2 P00918 CAH2_HUMAN inhibitor Approved; Vet_approved Alkali metal sulfates Inorganic compounds; Mixed metal/non-metal compounds; Alkali metal oxoanionic compounds; Alkali metal sulfates Anions; Electrolytes; Ions; Osmotic Laxatives; Mineral Supplements; Sodium; Laxatives; Sulfur Compounds; Drugs that are Mainly Renally Excreted; Sulfur Acids; Sulfuric Acids; Gastrointestinal Agents; Alimentary Tract and Metabolism; Drugs for Constipation [Na+].[Na+].[O-]S([O-])(=O)=O 9735 347827857 D01732 Sodium_sulfate CHEMBL233406 1299926 DB09488 Acrivastine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist Approved Styrenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Styrenes "Potential QTc-Prolonging Agents; QTc Prolonging Agents; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Histamine H1 Antagonists, Non-Sedating; Histamine Agents; Antihistamines for Systemic Use; Drugs that are Mainly Renally Excreted; Pyridines" [H]\C(CN1CCCC1)=C(\C1=CC=C(C)C=C1)C1=CC=CC(=N1)C(\[H])=C(/[H])C(O)=O Acrivastine H1-Antihistamine Action drug_action 310265225 D02760 Acrivastine CHEMBL1224 19959 DB09535 Octocrylene BE0000123 ESR1 P03372 ESR1_HUMAN 16079615 "Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52." Approved; Investigational "Acids, Acyclic; Sunscreen Agents" CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1 2280 347910458 Octocrylene CHEMBL1201147 77674 DB09535 Octocrylene BE0000792 ESR2 Q92731 ESR2_HUMAN 16079615 "Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52." Approved; Investigational "Acids, Acyclic; Sunscreen Agents" CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1 2280 347910458 Octocrylene CHEMBL1201147 77674 DB09539 Omega-3-acid ethyl esters BE0005540 SREBF1 P36956 SRBP1_HUMAN inhibitor 24184945 "Davidson MH: Omega-3 fatty acids: new insights into the pharmacology and biology of docosahexaenoic acid, docosapentaenoic acid, and eicosapentaenoic acid. Curr Opin Lipidol. 2013 Dec;24(6):467-74. doi: 10.1097/MOL.0000000000000019." Approved; Investigational "Inflammation Mediators; Dietary Fats, Unsaturated; Eicosanoids; Fish Oils; Oils; Fatty Acids, Omega-3; Fatty Acids; Biological Factors; Diet, Food, and Nutrition; Lipids; Food; Fats; Nootropic Agents; Physiological Phenomena; Pharmaceutical Preparations; Autacoids; Fatty Acids, Unsaturated; Dietary Fats" 347910460 Omega-3_acid_ethyl_esters 484348 DB09552 Thonzonium BE0004525 ATP6V1C1 P21283 VATC1_HUMAN inhibitor 22215674 "Chan CY, Prudom C, Raines SM, Charkhzarrin S, Melman SD, De Haro LP, Allen C, Lee SA, Sklar LA, Parra KJ: Inhibitors of V-ATPase proton transport reveal uncoupling functions of tether linking cytosolic and membrane domains of V0 subunit a (Vph1p). J Biol Chem. 2012 Mar 23;287(13):10236-50. doi: 10.1074/jbc.M111.321133. Epub 2012 Jan 3." Approved Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles Nitrogen Compounds; Onium Compounds; Amines; Ammonium Compounds; Surface-Active Agents CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(OC)C=C1)C1=NC=CC=N1 347827878 Thonzonium_bromide CHEMBL1201322 237058 DB09555 Dexchlorpheniramine maleate BE0000442 HRH1 P35367 HRH1_HUMAN antagonist Approved Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Pyridines; OCT1 substrates; Stereoisomerism; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotransmitter Agents; OCT1 inhibitors; Moderate Risk QTc-Prolonging Agents; Histamine Agents OC(=O)\C=C/C(O)=O.CN(C)CC[C@@H](C1=CC=C(Cl)C=C1)C1=CC=CC=N1 6585 347827879 Dexchlorpheniramine CHEMBL1200927 54828 DB09559 Necitumumab BE0000767 EGFR P00533 EGFR_HUMAN antagonist 20197484 "Kuenen B, Witteveen PO, Ruijter R, Giaccone G, Dontabhaktuni A, Fox F, Katz T, Youssoufian H, Zhu J, Rowinsky EK, Voest EE: A phase I pharmacologic study of necitumumab (IMC-11F8), a fully human IgG1 monoclonal antibody directed against EGFR in patients with advanced solid malignancies. Clin Cancer Res. 2010 Mar 15;16(6):1915-23. doi: 10.1158/1078-0432.CCR-09-2425. Epub 2010 Mar 2." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; EGFR (Epidermal Growth Factor Receptor) inhibitors; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; HER1 Antagonists; Proteins; ErbB Receptors, antagonists & inhibitors; Antineoplastic Agents; Immunoglobulins; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Epidermal Growth Factor Receptor Antagonist; Narrow Therapeutic Index Drugs; Blood Proteins" 22862 347910462 D10018 Necitumumab 1723738 DB09564 Insulin degludec BE0000033 INSR P06213 INSR_HUMAN agonist 27512793 De Meyts P: The Insulin Receptor and Its Signal Transduction Network . Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; Insulin Analog; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Long-acting Insulins; Peptide Hormones; Insulin, Long-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 22892 347910463 D09727 Insulin_degludec CHEMBL2107869 1670007 DB09564 Insulin degludec BE0000858 IGF1R P08069 IGF1R_HUMAN activator 22826637; 22420005 "Wang F, Surh J, Kaur M: Insulin degludec as an ultralong-acting basal insulin once a day: a systematic review. Diabetes Metab Syndr Obes. 2012;5:191-204. doi: 10.2147/DMSO.S21979. Epub 2012 Jul 5.@@Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Drugs Used in Diabetes; Insulin Analog; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Long-acting Insulins; Peptide Hormones; Insulin, Long-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 22892 347910463 D09727 Insulin_degludec CHEMBL2107869 1670007 DB09568 Omega-3-carboxylic acids BE0000377 HADH Q16836 HCDH_HUMAN potentiator 25387209 Weintraub HS: Overview of prescription omega-3 fatty acid products for hypertriglyceridemia. Postgrad Med. 2014 Nov;126(7):7-18. doi: 10.3810/pgm.2014.11.2828. Approved; Investigational "Fatty Acids, Omega-3" 347910465 1652071 DB09568 Omega-3-carboxylic acids BE0002247 ELOVL4 Q9GZR5 ELOV4_HUMAN potentiator 25387209 Weintraub HS: Overview of prescription omega-3 fatty acid products for hypertriglyceridemia. Postgrad Med. 2014 Nov;126(7):7-18. doi: 10.3810/pgm.2014.11.2828. Approved; Investigational "Fatty Acids, Omega-3" 347910465 1652071 DB09568 Omega-3-carboxylic acids BE0000239 LPL P06858 LIPL_HUMAN stimulator 25387209 Weintraub HS: Overview of prescription omega-3 fatty acid products for hypertriglyceridemia. Postgrad Med. 2014 Nov;126(7):7-18. doi: 10.3810/pgm.2014.11.2828. Approved; Investigational "Fatty Acids, Omega-3" 347910465 1652071 DB10770 Foreskin fibroblast (neonatal) BE0000029 FLT1 P17948 VGFR1_HUMAN agonist Approved Allogeneic Cultured Cell Scaffold 1427137 DB10770 Foreskin fibroblast (neonatal) BE0001861 TGFBR2 P37173 TGFR2_HUMAN agonist Approved Allogeneic Cultured Cell Scaffold 1427137 DB10770 Foreskin fibroblast (neonatal) BE0000689 FGF1 P05230 FGF1_HUMAN agonist Approved Allogeneic Cultured Cell Scaffold 1427137 DB10770 Foreskin fibroblast (neonatal) BE0000748 FGFR2 P21802 FGFR2_HUMAN agonist Approved Allogeneic Cultured Cell Scaffold 1427137 DB10770 Foreskin fibroblast (neonatal) BE0000628 CSF2RA P15509 CSF2R_HUMAN agonist Approved Allogeneic Cultured Cell Scaffold 1427137 DB10770 Foreskin fibroblast (neonatal) BE0000984 TGFB1 P01137 TGFB1_HUMAN agonist Approved Allogeneic Cultured Cell Scaffold 1427137 DB10772 Foreskin keratinocyte (neonatal) BE0000689 FGF1 P05230 FGF1_HUMAN agonist Approved Allogeneic Cultured Cell Scaffold 1427138 DB10772 Foreskin keratinocyte (neonatal) BE0000767 EGFR P00533 EGFR_HUMAN agonist Approved Allogeneic Cultured Cell Scaffold 1427138 DB10772 Foreskin keratinocyte (neonatal) BE0000628 CSF2RA P15509 CSF2R_HUMAN agonist Approved Allogeneic Cultured Cell Scaffold 1427138 DB10772 Foreskin keratinocyte (neonatal) BE0001861 TGFBR2 P37173 TGFR2_HUMAN agonist Approved Allogeneic Cultured Cell Scaffold 1427138 DB10772 Foreskin keratinocyte (neonatal) BE0000984 TGFB1 P01137 TGFB1_HUMAN agonist Approved Allogeneic Cultured Cell Scaffold 1427138 DB10772 Foreskin keratinocyte (neonatal) BE0000748 FGFR2 P21802 FGFR2_HUMAN agonist Approved Allogeneic Cultured Cell Scaffold 1427138 DB11059 Carboxymethylcellulose BE0001057 SLC2A1 P11166 GTR1_HUMAN binder 17389485 "Garrett Q, Simmons PA, Xu S, Vehige J, Zhao Z, Ehrmann K, Willcox M: Carboxymethylcellulose binds to human corneal epithelial cells and is a modulator of corneal epithelial wound healing. Invest Ophthalmol Vis Sci. 2007 Apr;48(4):1559-67. doi: 10.1167/iovs.06-0848." Approved; Investigational "Anorexigenic Agents & Respiratory and CNS Stimulants; Carboxymethylcellulose Sodium; Laxatives; Carbohydrates; Polysaccharides; Compounds used in a research, industrial, or household setting; Glucans; Cellulose; Bulk-Forming Laxatives; Gastrointestinal Agents; EENT Drugs, Miscellaneous; Artificial Tears" 13453 347911098 Carboxymethyl_cellulose CHEMBL1909054 2062 DB11064 Homosalate BE0000557 PGR P06401 PRGR_HUMAN antagonist 15537743 "Schreurs RH, Sonneveld E, Jansen JH, Seinen W, van der Burg B: Interaction of polycyclic musks and UV filters with the estrogen receptor (ER), androgen receptor (AR), and progesterone receptor (PR) in reporter gene bioassays. Toxicol Sci. 2005 Feb;83(2):264-72. Epub 2004 Nov 10." Approved; Investigational o-Hydroxybenzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Radiation-Protective Agents; Benzoates; Acids, Carbocyclic; Hydroxy Acids; Phenols; Sunscreen Agents; Protective Agents; Dermatologicals; Hydroxybenzoates; Benzene Derivatives; Cosmetics; Compounds used in a research, industrial, or household setting" CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1 1970 347911103 Homosalate CHEMBL1377575 91326 DB11064 Homosalate BE0000132 AR P10275 ANDR_HUMAN antagonist 15537743; 24004914 "Schreurs RH, Sonneveld E, Jansen JH, Seinen W, van der Burg B: Interaction of polycyclic musks and UV filters with the estrogen receptor (ER), androgen receptor (AR), and progesterone receptor (PR) in reporter gene bioassays. Toxicol Sci. 2005 Feb;83(2):264-72. Epub 2004 Nov 10.@@Jimenez-Diaz I, Molina-Molina JM, Zafra-Gomez A, Ballesteros O, Navalon A, Real M, Saenz JM, Fernandez MF, Olea N: Simultaneous determination of the UV-filters benzyl salicylate, phenyl salicylate, octyl salicylate, homosalate, 3-(4-methylbenzylidene) camphor and 3-benzylidene camphor in human placental tissue by LC-MS/MS. Assessment of their in vitro endocrine activity. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Oct 1;936:80-7. doi: 10.1016/j.jchromb.2013.08.006. Epub 2013 Aug 8." Approved; Investigational o-Hydroxybenzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Radiation-Protective Agents; Benzoates; Acids, Carbocyclic; Hydroxy Acids; Phenols; Sunscreen Agents; Protective Agents; Dermatologicals; Hydroxybenzoates; Benzene Derivatives; Cosmetics; Compounds used in a research, industrial, or household setting" CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1 1970 347911103 Homosalate CHEMBL1377575 91326 DB11064 Homosalate BE0000123 ESR1 P03372 ESR1_HUMAN 24004914 "Jimenez-Diaz I, Molina-Molina JM, Zafra-Gomez A, Ballesteros O, Navalon A, Real M, Saenz JM, Fernandez MF, Olea N: Simultaneous determination of the UV-filters benzyl salicylate, phenyl salicylate, octyl salicylate, homosalate, 3-(4-methylbenzylidene) camphor and 3-benzylidene camphor in human placental tissue by LC-MS/MS. Assessment of their in vitro endocrine activity. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Oct 1;936:80-7. doi: 10.1016/j.jchromb.2013.08.006. Epub 2013 Aug 8." Approved; Investigational o-Hydroxybenzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Radiation-Protective Agents; Benzoates; Acids, Carbocyclic; Hydroxy Acids; Phenols; Sunscreen Agents; Protective Agents; Dermatologicals; Hydroxybenzoates; Benzene Derivatives; Cosmetics; Compounds used in a research, industrial, or household setting" CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1 1970 347911103 Homosalate CHEMBL1377575 91326 DB11075 Hypromellose BE0002446 EPCAM P16422 EPCAM_HUMAN 11274071 "Geerling G, Daniels JT, Dart JK, Cree IA, Khaw PT: Toxicity of natural tear substitutes in a fully defined culture model of human corneal epithelial cells. Invest Ophthalmol Vis Sci. 2001 Apr;42(5):948-56." Approved "Surgical Aids; Viscoelastic Substances; Other Diagnostics; Ophthalmologicals; Polysaccharides; Carbohydrates; Polymers; Sensory Organs; Compounds used in a research, industrial, or household setting; Glucans; Macromolecular Substances; Biopolymers; Cellulose; EENT Drugs, Miscellaneous; Artificial Tears" 12399 347911105 Hypromellose 1363586 DB11081 Aluminum chloride BE0000180 GLUD1 P00367 DHE3_HUMAN inactivator 14625697 "Yang SJ, Huh JW, Lee JE, Choi SY, Kim TU, Cho SW: Inactivation of human glutamate dehydrogenase by aluminum. Cell Mol Life Sci. 2003 Nov;60(11):2538-46." Approved; Investigational Post-transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Post-transition metal salts; Post-transition metal chlorides "Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Dental Agents; Metal divalent cations; Antiperspirants; Chlorides; Chlorine Compounds; Dermatologicals; Cosmetics; Metal cations; Astringents and Deodorants; Aluminium Compounds; Compounds used in a research, industrial, or household setting" Cl[Al](Cl)Cl 5821 347827889 Aluminium_chloride CHEMBL3833401 46241 DB11093 Calcium citrate BE0002109 CALR P27797 CALR_HUMAN ligand Approved; Investigational Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives" [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 4803 347827894 Calcium_citrate CHEMBL2106123 47613 DB11093 Calcium citrate BE0005812 PDCD6 O75340 PDCD6_HUMAN agonist Approved; Investigational Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives" [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 4803 347827894 Calcium_citrate CHEMBL2106123 47613 DB11093 Calcium citrate BE0008692 SRI P30626 SORCN_HUMAN ligand Approved; Investigational Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives" [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 4803 347827894 Calcium_citrate CHEMBL2106123 47613 DB11093 Calcium citrate BE0008693 CHP1 Q99653 CHP1_HUMAN agonist Approved; Investigational Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives" [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 4803 347827894 Calcium_citrate CHEMBL2106123 47613 DB11093 Calcium citrate BE0001011 CANX P27824 CALX_HUMAN ligand Approved; Investigational Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives" [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 4803 347827894 Calcium_citrate CHEMBL2106123 47613 DB11093 Calcium citrate BE0008694 FBN2 P35556 FBN2_HUMAN ligand Approved; Investigational Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives" [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 4803 347827894 Calcium_citrate CHEMBL2106123 47613 DB11093 Calcium citrate BE0001177 S100B P04271 S100B_HUMAN ligand Approved; Investigational Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives" [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 4803 347827894 Calcium_citrate CHEMBL2106123 47613 DB11093 Calcium citrate BE0008695 CASQ2 O14958 CASQ2_HUMAN ligand Approved; Investigational Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives" [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 4803 347827894 Calcium_citrate CHEMBL2106123 47613 DB11093 Calcium citrate BE0000885 S100A13 Q99584 S10AD_HUMAN ligand Approved; Investigational Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives" [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 4803 347827894 Calcium_citrate CHEMBL2106123 47613 DB11093 Calcium citrate BE0008699 CASQ1 P31415 CASQ1_HUMAN ligand Approved; Investigational Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives" [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 4803 347827894 Calcium_citrate CHEMBL2106123 47613 DB11093 Calcium citrate BE0008700 NUCB1 Q02818 NUCB1_HUMAN ligand Approved; Investigational Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives" [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 4803 347827894 Calcium_citrate CHEMBL2106123 47613 DB11093 Calcium citrate BE0008702 FBN3 Q75N90 FBN3_HUMAN ligand Approved; Investigational Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives" [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 4803 347827894 Calcium_citrate CHEMBL2106123 47613 DB11093 Calcium citrate BE0008704 CADPS Q9ULU8 CAPS1_HUMAN agonist Approved; Investigational Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives" [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 4803 347827894 Calcium_citrate CHEMBL2106123 47613 DB11093 Calcium citrate BE0008706 CALM3 P0DP25 CALM3_HUMAN agonist Approved; Investigational Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives" [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 4803 347827894 Calcium_citrate CHEMBL2106123 47613 DB11093 Calcium citrate BE0008708 CALB2 P22676 CALB2_HUMAN ligand Approved; Investigational Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives" [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 4803 347827894 Calcium_citrate CHEMBL2106123 47613 DB11093 Calcium citrate BE0008710 CADPS2 Q86UW7 CAPS2_HUMAN agonist Approved; Investigational Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives" [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 4803 347827894 Calcium_citrate CHEMBL2106123 47613 DB11093 Calcium citrate BE0005274 NRXN1 Q9ULB1 NRX1A_HUMAN agonist Approved; Investigational Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives" [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 4803 347827894 Calcium_citrate CHEMBL2106123 47613 DB11094 Vitamin D BE0000779 VDR P11473 VDR_HUMAN 21917910 "Choi M, Yamada S, Makishima M: Dynamic and ligand-selective interactions of vitamin D receptor with retinoid X receptor and cofactors in living cells. Mol Pharmacol. 2011 Dec;80(6):1147-55. doi: 10.1124/mol.111.074138. Epub 2011 Sep 14." Approved; Nutraceutical; Vet_approved "Fused-Ring Compounds; Physiological Phenomena; Secosteroids; Vitamins; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Diet, Food, and Nutrition; Vitamin D and Analogues; Bone Density Conservation Agents; Cytochrome P-450 CYP3A Substrates; Food; Cytochrome P-450 CYP3A4 Substrates; Steroids; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Micronutrients" 703 347911113 Vitamin_D 11253 DB11113 Castor oil BE0002375 PTGER3 P43115 PE2R3_HUMAN agonist 22615395 "Tunaru S, Althoff TF, Nusing RM, Diener M, Offermanns S: Castor oil induces laxation and uterus contraction via ricinoleic acid activating prostaglandin EP3 receptors. Proc Natl Acad Sci U S A. 2012 Jun 5;109(23):9179-84. doi: 10.1073/pnas.1201627109. Epub 2012 May 21." Approved; Investigational; Nutraceutical; Vet_approved "Plant Oils; Biological Products; Contact Laxatives; Plant Preparations; Complex Mixtures; Laxatives; Oils; Fats, Unsaturated; Lipids; Fats; Gastrointestinal Agents; Alimentary Tract and Metabolism; Drugs for Constipation" 7038 347911121 Castor_oil 2129 DB11120 Turpentine BE0000923 MAPK1 P28482 MK01_HUMAN Approved; Experimental "Biological Products; Complex Mixtures; Resins, Plant; Oils; Lipids; Oils, Volatile; Plant Exudates; Compounds used in a research, industrial, or household setting; Toxic Actions; Noxae; Solvents; Irritants" 3510 347911126 Turpentine 10938 DB11124 Racepinephrine BE0000715 ADRA1D P25100 ADA1D_HUMAN antagonist Approved Adrenergic beta-Agonists; Amines; Adrenergic alpha-Agonists; Anti-Asthmatic Agents; Biogenic Amines; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Epinephrine and similars; Amino Alcohols; Cardiovascular Agents; Phenols; Alcohols; Vasoconstrictor Agents; Bronchodilator Agents; Adrenergic Agonists; Mydriatics; Sympathomimetics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Catechols; Adrenergic beta-3 Receptor Agonists; Biogenic Monoamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethanolamines; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents 8926 347911128 Epinephrine_(medication) 66887 DB11124 Racepinephrine BE0001012 ADRB3 P13945 ADRB3_HUMAN agonist Approved Adrenergic beta-Agonists; Amines; Adrenergic alpha-Agonists; Anti-Asthmatic Agents; Biogenic Amines; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Epinephrine and similars; Amino Alcohols; Cardiovascular Agents; Phenols; Alcohols; Vasoconstrictor Agents; Bronchodilator Agents; Adrenergic Agonists; Mydriatics; Sympathomimetics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Catechols; Adrenergic beta-3 Receptor Agonists; Biogenic Monoamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethanolamines; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents 8926 347911128 Epinephrine_(medication) 66887 DB11130 Opium BE0000420 OPRD1 P41143 OPRD_HUMAN agonist Approved; Illicit "Sensory System Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Gastrointestinal Agents; Antipropulsives; Natural Opium Alkaloids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Antidiarrheals; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Plant Preparations; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Complex Mixtures; Opiate Agonists; Opioid Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Biological Products; Plant Extracts; Central Nervous System Agents; Nervous System; Opioids" 6897 347911129 Opium 7676 DB11130 Opium BE0000770 OPRM1 P35372 OPRM_HUMAN agonist Approved; Illicit "Sensory System Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Gastrointestinal Agents; Antipropulsives; Natural Opium Alkaloids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Antidiarrheals; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Plant Preparations; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Complex Mixtures; Opiate Agonists; Opioid Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Biological Products; Plant Extracts; Central Nervous System Agents; Nervous System; Opioids" 6897 347911129 Opium 7676 DB11133 Omega-3 fatty acids BE0000215 PPARG P37231 PPARG_HUMAN ligand 21382489; 18769551 "Varga T, Czimmerer Z, Nagy L: PPARs are a unique set of fatty acid regulated transcription factors controlling both lipid metabolism and inflammation. Biochim Biophys Acta. 2011 Aug;1812(8):1007-22. doi: 10.1016/j.bbadis.2011.02.014. Epub 2011 Mar 5.@@Edwards IJ, O'Flaherty JT: Omega-3 Fatty Acids and PPARgamma in Cancer. PPAR Res. 2008;2008:358052. doi: 10.1155/2008/358052." Approved; Nutraceutical "Phospholipids; Fish Oils; Oils; Liver Therapy, Lipotropics; Lipids; Alimentary Tract and Metabolism; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Liver Therapy; Fatty Acids, Unsaturated; Fats; Bile and Liver Therapy; Dietary Fats; Membrane Lipids" 347911131 Omega-3_fatty_acid 4301 DB11133 Omega-3 fatty acids BE0000071 PPARA Q07869 PPARA_HUMAN activator 19585164; 24986106 "Rudkowska I, Garenc C, Couture P, Vohl MC: Omega-3 fatty acids regulate gene expression levels differently in subjects carrying the PPARalpha L162V polymorphism. Genes Nutr. 2009 Sep;4(3):199-205. doi: 10.1007/s12263-009-0129-2. Epub 2009 Jul 8.@@Liu M, Montgomery MK, Fiveash CE, Osborne B, Cooney GJ, Bell-Anderson K, Turner N: PPARalpha-independent actions of omega-3 PUFAs contribute to their beneficial effects on adiposity and glucose homeostasis. Sci Rep. 2014 Jul 2;4:5538. doi: 10.1038/srep05538." Approved; Nutraceutical "Phospholipids; Fish Oils; Oils; Liver Therapy, Lipotropics; Lipids; Alimentary Tract and Metabolism; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Liver Therapy; Fatty Acids, Unsaturated; Fats; Bile and Liver Therapy; Dietary Fats; Membrane Lipids" 347911131 Omega-3_fatty_acid 4301 DB11133 Omega-3 fatty acids BE0005540 SREBF1 P36956 SRBP1_HUMAN inhibitor 22570770 "Patterson E, Wall R, Fitzgerald GF, Ross RP, Stanton C: Health implications of high dietary omega-6 polyunsaturated Fatty acids. J Nutr Metab. 2012;2012:539426. doi: 10.1155/2012/539426. Epub 2012 Apr 5." Approved; Nutraceutical "Phospholipids; Fish Oils; Oils; Liver Therapy, Lipotropics; Lipids; Alimentary Tract and Metabolism; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Liver Therapy; Fatty Acids, Unsaturated; Fats; Bile and Liver Therapy; Dietary Fats; Membrane Lipids" 347911131 Omega-3_fatty_acid 4301 DB11136 Chromium BE0001173 CYB5A P00167 CYB5_HUMAN substrate 11223168 "Jannetto PJ, Antholine WE, Myers CR: Cytochrome b(5) plays a key role in human microsomal chromium(VI) reduction. Toxicology. 2001 Feb 28;159(3):119-33." Approved Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Minerals; Physiological Phenomena; Cell-mediated Immunity; Metals; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Drugs that are Mainly Renally Excreted; Standardized Chemical Allergen; Trace Elements; Metals, Heavy; Increased Histamine Release; Micronutrients" [Cr] 2001 347827914 Chromium 2496 DB11148 Butamben BE0004902 CACNG1 Q9P0X4 CAC1I_HUMAN inhibitor 15920194; 16368819 "Beekwilder JP, Winkelman DL, van Kempen GT, van den Berg RJ, Ypey DL: The block of total and N-type calcium conductance in mouse sensory neurons by the local anesthetic n-butyl-p-aminobenzoate. Anesth Analg. 2005 Jun;100(6):1674-9. doi: 10.1213/01.ANE.0000151162.07211.DD.@@Beekwilder JP, van Kempen GT, van den Berg RJ, Ypey DL: The local anesthetic butamben inhibits and accelerates low-voltage activated T-type currents in small sensory neurons. Anesth Analg. 2006 Jan;102(1):141-5." Approved; Withdrawn Benzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Sensory System Agents; Anesthetics, Local; Central Nervous System Agents; Central Nervous System Depressants; Benzoates; Acids, Carbocyclic; Cholinesterase substrates; Anesthetics; Drugs that are Mainly Renally Excreted; Benzene Derivatives; Peripheral Nervous System Agents; para-Aminobenzoates; Aminobenzoates" CCCCOC(=O)C1=CC=C(N)C=C1 5954 347827919 Butamben CHEMBL127516 19861 DB11148 Butamben BE0001122 TRPA1 O75762 TRPA1_HUMAN inhibitor 22133806 "Bang S, Yang TJ, Yoo S, Heo TH, Hwang SW: Inhibition of sensory neuronal TRPs contributes to anti-nociception by butamben. Neurosci Lett. 2012 Jan 11;506(2):297-302. doi: 10.1016/j.neulet.2011.11.026. Epub 2011 Nov 23." Approved; Withdrawn Benzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Sensory System Agents; Anesthetics, Local; Central Nervous System Agents; Central Nervous System Depressants; Benzoates; Acids, Carbocyclic; Cholinesterase substrates; Anesthetics; Drugs that are Mainly Renally Excreted; Benzene Derivatives; Peripheral Nervous System Agents; para-Aminobenzoates; Aminobenzoates" CCCCOC(=O)C1=CC=C(N)C=C1 5954 347827919 Butamben CHEMBL127516 19861 DB11166 Antithrombin Alfa BE0000216 F10 P00742 FA10_HUMAN inhibitor Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Decreased Coagulation Factor Activity; Factor Xa Inhibitors; Anticoagulants; Thrombin Inhibitors; Recombinant Antithrombin 347911141 1427179 DB11181 Homatropine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 8467326 "Sim MK, Manjeet S: Muscarinic receptors in the aortae of normo- and hypertensive rats: a binding study. Clin Exp Hypertens. 1993 Mar;15(2):409-21." Approved Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Mydriatics and Cycloplegics; Ophthalmologicals; Sensory Organs; Alkaloids; Peripheral Nervous System Agents; Azabicyclo Compounds; Autonomic Agents; Parasympatholytics [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)C1=CC=CC=C1)N2C 8954 347911146 Homatropine CHEMBL1618018 27084 DB11181 Homatropine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 8467326 "Sim MK, Manjeet S: Muscarinic receptors in the aortae of normo- and hypertensive rats: a binding study. Clin Exp Hypertens. 1993 Mar;15(2):409-21." Approved Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Mydriatics and Cycloplegics; Ophthalmologicals; Sensory Organs; Alkaloids; Peripheral Nervous System Agents; Azabicyclo Compounds; Autonomic Agents; Parasympatholytics [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)C1=CC=CC=C1)N2C 8954 347911146 Homatropine CHEMBL1618018 27084 DB11181 Homatropine BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 8467326 "Sim MK, Manjeet S: Muscarinic receptors in the aortae of normo- and hypertensive rats: a binding study. Clin Exp Hypertens. 1993 Mar;15(2):409-21." Approved Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Mydriatics and Cycloplegics; Ophthalmologicals; Sensory Organs; Alkaloids; Peripheral Nervous System Agents; Azabicyclo Compounds; Autonomic Agents; Parasympatholytics [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)C1=CC=CC=C1)N2C 8954 347911146 Homatropine CHEMBL1618018 27084 DB11186 Pentoxyverine BE0009738 SCN1A Q15858 SCN9A_HUMAN inhibitor 23872380 "Leung YM, Tzeng JI, Kuo CS, Chen YW, Chu CC, Wang JJ: The use of carbetapentane for spinal anesthesia and use-dependent block of sodium currents. Eur J Pharmacol. 2013 Aug 15;714(1-3):366-72. doi: 10.1016/j.ejphar.2013.07.013. Epub 2013 Jul 16." Approved; Investigational; Withdrawn Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives Antitussive Agents; Cycloparaffins; Central Nervous System Agents; Cough and Cold Preparations; Respiratory System Agents CCN(CC)CCOCCOC(=O)C1(CCCC1)C1=CC=CC=C1 6009 347827938 Pentoxyverine CHEMBL73234 20217 DB11186 Pentoxyverine BE0000770 OPRM1 P35372 OPRM_HUMAN antagonist 8872359 "Kobayashi T, Ikeda K, Ichikawa T, Togashi S, Kumanishi T: Effects of sigma ligands on the cloned mu-, delta- and kappa-opioid receptors co-expressed with G-protein-activated K+ (GIRK) channel in Xenopus oocytes. Br J Pharmacol. 1996 Sep;119(1):73-80." Approved; Investigational; Withdrawn Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives Antitussive Agents; Cycloparaffins; Central Nervous System Agents; Cough and Cold Preparations; Respiratory System Agents CCN(CC)CCOCCOC(=O)C1(CCCC1)C1=CC=CC=C1 6009 347827938 Pentoxyverine CHEMBL73234 20217 DB11219 Enzacamene BE0000557 PGR P06401 PRGR_HUMAN antagonist 15537743 "Schreurs RH, Sonneveld E, Jansen JH, Seinen W, van der Burg B: Interaction of polycyclic musks and UV filters with the estrogen receptor (ER), androgen receptor (AR), and progesterone receptor (PR) in reporter gene bioassays. Toxicol Sci. 2005 Feb;83(2):264-72. Epub 2004 Nov 10." Approved Norbornanes; Bornanes; Ketones; Bicyclic Monoterpenes; Sunscreen Agents; Bridged-Ring Compounds; Monoterpenes; Terpenes CC1=CC=C(\C=C2/C3CCC(C)(C2=O)C3(C)C)C=C1 20039 347827944 Enzacamene CHEMBL2104261 1311507 DB11219 Enzacamene BE0000132 AR P10275 ANDR_HUMAN antagonist 15537743; 24004914 "Schreurs RH, Sonneveld E, Jansen JH, Seinen W, van der Burg B: Interaction of polycyclic musks and UV filters with the estrogen receptor (ER), androgen receptor (AR), and progesterone receptor (PR) in reporter gene bioassays. Toxicol Sci. 2005 Feb;83(2):264-72. Epub 2004 Nov 10.@@Jimenez-Diaz I, Molina-Molina JM, Zafra-Gomez A, Ballesteros O, Navalon A, Real M, Saenz JM, Fernandez MF, Olea N: Simultaneous determination of the UV-filters benzyl salicylate, phenyl salicylate, octyl salicylate, homosalate, 3-(4-methylbenzylidene) camphor and 3-benzylidene camphor in human placental tissue by LC-MS/MS. Assessment of their in vitro endocrine activity. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Oct 1;936:80-7. doi: 10.1016/j.jchromb.2013.08.006. Epub 2013 Aug 8." Approved Norbornanes; Bornanes; Ketones; Bicyclic Monoterpenes; Sunscreen Agents; Bridged-Ring Compounds; Monoterpenes; Terpenes CC1=CC=C(\C=C2/C3CCC(C)(C2=O)C3(C)C)C=C1 20039 347827944 Enzacamene CHEMBL2104261 1311507 DB11219 Enzacamene BE0000792 ESR2 Q92731 ESR2_HUMAN 16079615 "Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52." Approved Norbornanes; Bornanes; Ketones; Bicyclic Monoterpenes; Sunscreen Agents; Bridged-Ring Compounds; Monoterpenes; Terpenes CC1=CC=C(\C=C2/C3CCC(C)(C2=O)C3(C)C)C=C1 20039 347827944 Enzacamene CHEMBL2104261 1311507 DB11219 Enzacamene BE0000123 ESR1 P03372 ESR1_HUMAN 16079615; 24004914 "Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52.@@Jimenez-Diaz I, Molina-Molina JM, Zafra-Gomez A, Ballesteros O, Navalon A, Real M, Saenz JM, Fernandez MF, Olea N: Simultaneous determination of the UV-filters benzyl salicylate, phenyl salicylate, octyl salicylate, homosalate, 3-(4-methylbenzylidene) camphor and 3-benzylidene camphor in human placental tissue by LC-MS/MS. Assessment of their in vitro endocrine activity. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Oct 1;936:80-7. doi: 10.1016/j.jchromb.2013.08.006. Epub 2013 Aug 8." Approved Norbornanes; Bornanes; Ketones; Bicyclic Monoterpenes; Sunscreen Agents; Bridged-Ring Compounds; Monoterpenes; Terpenes CC1=CC=C(\C=C2/C3CCC(C)(C2=O)C3(C)C)C=C1 20039 347827944 Enzacamene CHEMBL2104261 1311507 DB11221 Dioxybenzone BE0000685 SHBG P04278 SHBG_HUMAN binder 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Approved Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones Ketones; Sunscreen Agents; Benzene Derivatives COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1O 4134 D03853 Dioxybenzone CHEMBL1326877 23350 DB11235 Thonzylamine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 18858080; 18888474 "SCUDI JV, REINHARD JF, DREYER NB: Pharmacologic characteristics of neohetramine, a new antihistaminic drug. J Allergy. 1948 May;19(3):184-99.@@AARON TH, CRIEP LH: Neohetramine and thephorin; two new antihistaminic drugs. Can Med Assoc J. 1948 Nov;59(5):438-41." Approved Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles "Anticholinergic Agents; Muscarinic Antagonists; Antiallergic Agents, Excl. Corticosteroids; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents producing tachycardia; Antihistamines for Topical Use; Dermatologicals; Histamine Agents; Substituted Ethylene Diamines; Nasal Preparations" COC1=CC=C(CN(CCN(C)C)C2=NC=CC=N2)C=C1 Thonzylamine H1-Antihistamine Action drug_action 347827947 Thonzylamine CHEMBL1623738 1360721 DB11235 Thonzylamine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 18858080; 18888474 "SCUDI JV, REINHARD JF, DREYER NB: Pharmacologic characteristics of neohetramine, a new antihistaminic drug. J Allergy. 1948 May;19(3):184-99.@@AARON TH, CRIEP LH: Neohetramine and thephorin; two new antihistaminic drugs. Can Med Assoc J. 1948 Nov;59(5):438-41." Approved Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles "Anticholinergic Agents; Muscarinic Antagonists; Antiallergic Agents, Excl. Corticosteroids; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents producing tachycardia; Antihistamines for Topical Use; Dermatologicals; Histamine Agents; Substituted Ethylene Diamines; Nasal Preparations" COC1=CC=C(CN(CCN(C)C)C2=NC=CC=N2)C=C1 Thonzylamine H1-Antihistamine Action drug_action 347827947 Thonzylamine CHEMBL1623738 1360721 DB11235 Thonzylamine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 18858080; 18888474 "SCUDI JV, REINHARD JF, DREYER NB: Pharmacologic characteristics of neohetramine, a new antihistaminic drug. J Allergy. 1948 May;19(3):184-99.@@AARON TH, CRIEP LH: Neohetramine and thephorin; two new antihistaminic drugs. Can Med Assoc J. 1948 Nov;59(5):438-41." Approved Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles "Anticholinergic Agents; Muscarinic Antagonists; Antiallergic Agents, Excl. Corticosteroids; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents producing tachycardia; Antihistamines for Topical Use; Dermatologicals; Histamine Agents; Substituted Ethylene Diamines; Nasal Preparations" COC1=CC=C(CN(CCN(C)C)C2=NC=CC=N2)C=C1 Thonzylamine H1-Antihistamine Action drug_action 347827947 Thonzylamine CHEMBL1623738 1360721 DB11235 Thonzylamine BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 18858080; 18888474 "SCUDI JV, REINHARD JF, DREYER NB: Pharmacologic characteristics of neohetramine, a new antihistaminic drug. J Allergy. 1948 May;19(3):184-99.@@AARON TH, CRIEP LH: Neohetramine and thephorin; two new antihistaminic drugs. Can Med Assoc J. 1948 Nov;59(5):438-41." Approved Anisoles Organic compounds; Benzenoids; Phenol ethers; Anisoles "Anticholinergic Agents; Muscarinic Antagonists; Antiallergic Agents, Excl. Corticosteroids; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents producing tachycardia; Antihistamines for Topical Use; Dermatologicals; Histamine Agents; Substituted Ethylene Diamines; Nasal Preparations" COC1=CC=C(CN(CCN(C)C)C2=NC=CC=N2)C=C1 Thonzylamine H1-Antihistamine Action drug_action 347827947 Thonzylamine CHEMBL1623738 1360721 DB11254 Hexylresorcinol BE0000971 TOP1 P11387 TOP1_HUMAN inhibitor Approved Resorcinols Organic compounds; Benzenoids; Phenols; Benzenediols "Anti-Infective Agents; Anthelmintics; Throat Preparations; Phenols; Benzene Derivatives; Anti-Infective Agents, Local; Resorcinols; Antiparasitic Agents; Miscellaneous Anti-infectives" CCCCCCC1=C(O)C=C(O)C=C1 700 347827952 Hexylresorcinol CHEMBL443605 5321 DB11263 Polydatin BE0000088 PKM P14618 KPYM_HUMAN inhibitor 26951145 "Ye X, Sun Y, Xu Y, Chen Z, Lu S: Integrated In Silico-In Vitro Discovery of Lung Cancer-related Tumor Pyruvate Kinase M2 (PKM2) Inhibitors. Med Chem. 2016;12(7):613-620. doi: 10.2174/1573406412666160307151535." Approved Stilbene glycosides Organic compounds; Phenylpropanoids and polyketides; Stilbenes; Stilbene glycosides "Plant Extracts; Glycosides; Carbohydrates; Benzylidene Compounds; Benzene Derivatives; Drugs, Chinese Herbal" OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O 347827958 Piceid CHEMBL142652 1364277 DB11273 Dihydroergocornine BE0004862 HTR1A P34969 5HT7R_HUMAN antagonist 7063048 Muller-Schweinitzer E: Actions of co-dergocrine mesylate and its components at vascular smooth muscle. Naunyn Schmiedebergs Arch Pharmacol. 1982 Feb;318(3):225-33. Approved Ergopeptines Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Ergotamines; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Alkaloids; Dopamine Agents; Agents that produce hypertension; Ergot-derivative Dopamine Receptor Agonists; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Ergot Alkaloids and Derivatives; Dopamine Agonists" [H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C Dihydroergocornine CHEMBL2365712 3415 DB11273 Dihydroergocornine BE0004872 ADRB1 P13945 ADRB3_HUMAN antagonist 7063048 Muller-Schweinitzer E: Actions of co-dergocrine mesylate and its components at vascular smooth muscle. Naunyn Schmiedebergs Arch Pharmacol. 1982 Feb;318(3):225-33. Approved Ergopeptines Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Ergotamines; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Alkaloids; Dopamine Agents; Agents that produce hypertension; Ergot-derivative Dopamine Receptor Agonists; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Ergot Alkaloids and Derivatives; Dopamine Agonists" [H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C Dihydroergocornine CHEMBL2365712 3415 DB11274 Dihydro-alpha-ergocryptine BE0000581 DRD3 P35462 DRD3_HUMAN partial agonist 14523624 "Gerlach M, Double K, Arzberger T, Leblhuber F, Tatschner T, Riederer P: Dopamine receptor agonists in current clinical use: comparative dopamine receptor binding profiles defined in the human striatum. J Neural Transm (Vienna). 2003 Oct;110(10):1119-27. doi: 10.1007/s00702-003-0027-5." Approved Lysergamides Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates [H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C CHEMBL1743263 91170 DB11278 DL-Methylephedrine BE0004872 ADRB1 P13945 ADRB3_HUMAN agonist Approved Phenylpropanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes Amino Alcohols; Propanolamines; Adrenergic Agonists; Amines; Adrenergic alpha-Agonists; Phenethylamines; Alcohols; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Agents that produce hypertension; Drugs that are Mainly Renally Excreted; Ethylamines; Propanols C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C Methylephedrine CHEMBL445001 1546444 DB11294 Coccidioides immitis spherule BE0004790 HLA-DRA P01911 2B1F_HUMAN binder 28367149 "Wieczorek M, Abualrous ET, Sticht J, Alvaro-Benito M, Stolzenberg S, Noe F, Freund C: Major Histocompatibility Complex (MHC) Class I and MHC Class II Proteins: Conformational Plasticity in Antigen Presentation. Front Immunol. 2017 Mar 17;8:292. doi: 10.3389/fimmu.2017.00292. eCollection 2017." Approved Skin Test Antigen; Cell-mediated Immunity 347911178 1549330 DB11294 Coccidioides immitis spherule BE0004082 HLA-B P01889 1B27_HUMAN 28367149 "Wieczorek M, Abualrous ET, Sticht J, Alvaro-Benito M, Stolzenberg S, Noe F, Freund C: Major Histocompatibility Complex (MHC) Class I and MHC Class II Proteins: Conformational Plasticity in Antigen Presentation. Front Immunol. 2017 Mar 17;8:292. doi: 10.3389/fimmu.2017.00292. eCollection 2017." Approved Skin Test Antigen; Cell-mediated Immunity 347911178 1549330 DB11300 Thrombin BE0001021 F11 P03951 FA11_HUMAN activator 17635715 "Crawley JT, Zanardelli S, Chion CK, Lane DA: The central role of thrombin in hemostasis. J Thromb Haemost. 2007 Jul;5 Suppl 1:95-101. doi: 10.1111/j.1538-7836.2007.02500.x." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Factor Activity; Enzymes and Coenzymes; Protein Precursors; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Hydrolases; Coagulants; Local Hemostatics; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Hemostatics; Serine Proteases; Peptide Hydrolases; Prothrombin, agonists; Hematologic Agents; Blood Proteins; Blood Coagulation Factors; Endopeptidases" 9050 347911181 Thrombin 10528 DB11300 Thrombin BE0000004 F13A1 P00488 F13A_HUMAN activator Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Factor Activity; Enzymes and Coenzymes; Protein Precursors; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Hydrolases; Coagulants; Local Hemostatics; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Hemostatics; Serine Proteases; Peptide Hydrolases; Prothrombin, agonists; Hematologic Agents; Blood Proteins; Blood Coagulation Factors; Endopeptidases" 9050 347911181 Thrombin 10528 DB11300 Thrombin BE0009075 F13B P05160 F13B_HUMAN activator 17635715 "Crawley JT, Zanardelli S, Chion CK, Lane DA: The central role of thrombin in hemostasis. J Thromb Haemost. 2007 Jul;5 Suppl 1:95-101. doi: 10.1111/j.1538-7836.2007.02500.x." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Factor Activity; Enzymes and Coenzymes; Protein Precursors; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Hydrolases; Coagulants; Local Hemostatics; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Hemostatics; Serine Proteases; Peptide Hydrolases; Prothrombin, agonists; Hematologic Agents; Blood Proteins; Blood Coagulation Factors; Endopeptidases" 9050 347911181 Thrombin 10528 DB11300 Thrombin BE0000041 F5 P12259 FA5_HUMAN activator 17635715 "Crawley JT, Zanardelli S, Chion CK, Lane DA: The central role of thrombin in hemostasis. J Thromb Haemost. 2007 Jul;5 Suppl 1:95-101. doi: 10.1111/j.1538-7836.2007.02500.x." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Factor Activity; Enzymes and Coenzymes; Protein Precursors; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Hydrolases; Coagulants; Local Hemostatics; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Hemostatics; Serine Proteases; Peptide Hydrolases; Prothrombin, agonists; Hematologic Agents; Blood Proteins; Blood Coagulation Factors; Endopeptidases" 9050 347911181 Thrombin 10528 DB11300 Thrombin BE0000016 F8 P00451 FA8_HUMAN activator Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Factor Activity; Enzymes and Coenzymes; Protein Precursors; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Hydrolases; Coagulants; Local Hemostatics; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Hemostatics; Serine Proteases; Peptide Hydrolases; Prothrombin, agonists; Hematologic Agents; Blood Proteins; Blood Coagulation Factors; Endopeptidases" 9050 347911181 Thrombin 10528 DB11300 Thrombin BE0000928 F2R P25116 PAR1_HUMAN 16505172 "Leger AJ, Jacques SL, Badar J, Kaneider NC, Derian CK, Andrade-Gordon P, Covic L, Kuliopulos A: Blocking the protease-activated receptor 1-4 heterodimer in platelet-mediated thrombosis. Circulation. 2006 Mar 7;113(9):1244-54. Epub 2006 Feb 27." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Factor Activity; Enzymes and Coenzymes; Protein Precursors; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Hydrolases; Coagulants; Local Hemostatics; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Hemostatics; Serine Proteases; Peptide Hydrolases; Prothrombin, agonists; Hematologic Agents; Blood Proteins; Blood Coagulation Factors; Endopeptidases" 9050 347911181 Thrombin 10528 DB11311 Prothrombin BE0000004 F13A1 P00488 F13A_HUMAN agonist 25535411 "Palta S, Saroa R, Palta A: Overview of the coagulation system. Indian J Anaesth. 2014 Sep;58(5):515-23. doi: 10.4103/0019-5049.144643." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Activity; Prothrombin, agonists; Biological Factors; Enzyme Precursors; Enzymes and Coenzymes; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 2931 347911184 Thrombin 1441689 DB11311 Prothrombin BE0003407 CPB2 Q96IY4 CBPB2_HUMAN agonist 25535411 "Palta S, Saroa R, Palta A: Overview of the coagulation system. Indian J Anaesth. 2014 Sep;58(5):515-23. doi: 10.4103/0019-5049.144643." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Activity; Prothrombin, agonists; Biological Factors; Enzyme Precursors; Enzymes and Coenzymes; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 2931 347911184 Thrombin 1441689 DB11312 Protein C BE0000041 F5 P12259 FA5_HUMAN inactivator Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Enzymes and Coenzymes; Anticoagulants; Protein Precursors; Amino Acids, Peptides, and Proteins; Glycoproteins; Cardiovascular Agents; Proteins; Glycoconjugates; Enzymes; Biological Factors; Decreased Coagulation Factor Activity; Blood and Blood Forming Organs; Enzyme Precursors; Fibrinolytic Agents; Hematologic Agents; Blood Coagulation Factor Inhibitors; Blood Proteins; Fibrin Modulating Agents" 20131 347911185 D08796 Protein_C 723868 DB11312 Protein C BE0000016 F8 P00451 FA8_HUMAN inactivator Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Enzymes and Coenzymes; Anticoagulants; Protein Precursors; Amino Acids, Peptides, and Proteins; Glycoproteins; Cardiovascular Agents; Proteins; Glycoconjugates; Enzymes; Biological Factors; Decreased Coagulation Factor Activity; Blood and Blood Forming Organs; Enzyme Precursors; Fibrinolytic Agents; Hematologic Agents; Blood Coagulation Factor Inhibitors; Blood Proteins; Fibrin Modulating Agents" 20131 347911185 D08796 Protein_C 723868 DB11327 Dipyrithione BE0000005 NOS2 P35228 NOS2_HUMAN antagonist Approved Pyridinium derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinium derivatives [O-][N+]1=CC=CC=C1SSC1=CC=CC=[N+]1[O-] 1978 CHEMBL549473 1362743 DB11338 Clove oil BE0000628 CSF2RA P15509 CSF2R_HUMAN 28407719 "Han X, Parker TL: Anti-inflammatory activity of clove (Eugenia caryophyllata) essential oil in human dermal fibroblasts. Pharm Biol. 2017 Dec;55(1):1619-1622. doi: 10.1080/13880209.2017.1314513." Approved; Nutraceutical Plant Oils; Biological Products; Plant Preparations; Complex Mixtures; Oils; Drugs that are Mainly Renally Excreted 3557 347911190 Oil_of_clove CHEMBL2108247 7624 DB11345 (S)-camphor BE0001122 TRPA1 O75762 TRPA1_HUMAN inhibitor 16192383 "Xu H, Blair NT, Clapham DE: Camphor activates and strongly desensitizes the transient receptor potential vanilloid subtype 1 channel in a vanilloid-independent mechanism. J Neurosci. 2005 Sep 28;25(39):8924-37. doi: 10.1523/JNEUROSCI.2574-05.2005." Experimental Bicyclic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids CC1(C)[C@H]2CC[C@]1(C)C(=O)C2 CHEMBL2252949 1648124 DB11345 (S)-camphor BE0001186 TRPM8 Q7Z2W7 TRPM8_HUMAN activator 23828908 "Selescu T, Ciobanu AC, Dobre C, Reid G, Babes A: Camphor activates and sensitizes transient receptor potential melastatin 8 (TRPM8) to cooling and icilin. Chem Senses. 2013 Sep;38(7):563-75. doi: 10.1093/chemse/bjt027. Epub 2013 Jul 4." Experimental Bicyclic monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids CC1(C)[C@H]2CC[C@]1(C)C(=O)C2 CHEMBL2252949 1648124 DB11348 Calcium Phosphate BE0002109 CALR P27797 CALR_HUMAN ligand Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting" [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O 4803 347827972 Calcium_phosphate CHEMBL2106566 1919 DB11348 Calcium Phosphate BE0005812 PDCD6 O75340 PDCD6_HUMAN agonist Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting" [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O 4803 347827972 Calcium_phosphate CHEMBL2106566 1919 DB11348 Calcium Phosphate BE0008692 SRI P30626 SORCN_HUMAN ligand Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting" [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O 4803 347827972 Calcium_phosphate CHEMBL2106566 1919 DB11348 Calcium Phosphate BE0008693 CHP1 Q99653 CHP1_HUMAN agonist Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting" [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O 4803 347827972 Calcium_phosphate CHEMBL2106566 1919 DB11348 Calcium Phosphate BE0001011 CANX P27824 CALX_HUMAN ligand Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting" [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O 4803 347827972 Calcium_phosphate CHEMBL2106566 1919 DB11348 Calcium Phosphate BE0008694 FBN2 P35556 FBN2_HUMAN ligand Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting" [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O 4803 347827972 Calcium_phosphate CHEMBL2106566 1919 DB11348 Calcium Phosphate BE0001177 S100B P04271 S100B_HUMAN ligand Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting" [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O 4803 347827972 Calcium_phosphate CHEMBL2106566 1919 DB11348 Calcium Phosphate BE0008695 CASQ2 O14958 CASQ2_HUMAN ligand Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting" [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O 4803 347827972 Calcium_phosphate CHEMBL2106566 1919 DB11348 Calcium Phosphate BE0000885 S100A13 Q99584 S10AD_HUMAN ligand Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting" [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O 4803 347827972 Calcium_phosphate CHEMBL2106566 1919 DB11348 Calcium Phosphate BE0008699 CASQ1 P31415 CASQ1_HUMAN ligand Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting" [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O 4803 347827972 Calcium_phosphate CHEMBL2106566 1919 DB11348 Calcium Phosphate BE0008700 NUCB1 Q02818 NUCB1_HUMAN ligand Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting" [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O 4803 347827972 Calcium_phosphate CHEMBL2106566 1919 DB11348 Calcium Phosphate BE0008702 FBN3 Q75N90 FBN3_HUMAN ligand Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting" [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O 4803 347827972 Calcium_phosphate CHEMBL2106566 1919 DB11348 Calcium Phosphate BE0008704 CADPS Q9ULU8 CAPS1_HUMAN agonist Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting" [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O 4803 347827972 Calcium_phosphate CHEMBL2106566 1919 DB11348 Calcium Phosphate BE0008706 CALM3 P0DP25 CALM3_HUMAN agonist Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting" [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O 4803 347827972 Calcium_phosphate CHEMBL2106566 1919 DB11348 Calcium Phosphate BE0008708 CALB2 P22676 CALB2_HUMAN ligand Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting" [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O 4803 347827972 Calcium_phosphate CHEMBL2106566 1919 DB11348 Calcium Phosphate BE0008710 CADPS2 Q86UW7 CAPS2_HUMAN agonist Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting" [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O 4803 347827972 Calcium_phosphate CHEMBL2106566 1919 DB11348 Calcium Phosphate BE0005274 NRXN1 Q9ULB1 NRX1A_HUMAN agonist Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting" [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O 4803 347827972 Calcium_phosphate CHEMBL2106566 1919 DB11363 Alectinib BE0000359 ALK Q9UM73 ALK_HUMAN inhibitor Approved; Investigational Carbazoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles "Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Narrow Therapeutic Index Drugs; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Indoles; Antineoplastic Agents; Protein Kinase Inhibitors" CCC1=CC2=C(C=C1N1CCC(CC1)N1CCOCC1)C(C)(C)C1=C(C3=CC=C(C=C3N1)C#N)C2=O 22813 310265230 D10542 PA166160050 Alectinib CHEMBL1738797 1727455 DB11365 Sennosides BE0009664 AQP3 Q92482 AQP3_HUMAN inhibitor 24412547 "Kon R, Ikarashi N, Nagoya C, Takayama T, Kusunoki Y, Ishii M, Ueda H, Ochiai W, Machida Y, Sugita K, Sugiyama K: Rheinanthrone, a metabolite of sennoside A, triggers macrophage activation to decrease aquaporin-3 expression in the colon, causing the laxative effect of rhubarb extract. J Ethnopharmacol. 2014 Feb 27;152(1):190-200. doi: 10.1016/j.jep.2013.12.055. Epub 2014 Jan 8." Experimental Plant Preparations; Biological Products; Contact Laxatives; Herbs and Natural Products; Quinones; Plant Extracts; Anthraquinones; Glycosides; Complex Mixtures; Pharmaceutical Preparations; Laxatives; Carbohydrates; Anthracenes; Gastrointestinal Agents; Alimentary Tract and Metabolism; Drugs for Constipation OCC1OC(OC2=C3C(=O)C4=C(C=C(C=C4O)C(O)=O)C(C4C5=CC=CC(OC6OC(CO)C(O)C(O)C6O)=C5C(=O)C5=C4C=C(C=C5O)C(O)=O)C3=CC=C2)C(O)C(O)C1O 8798 347911200 Senna_glycoside CHEMBL54481 36387 DB11397 Dichlorvos BE0002180 BCHE P06276 CHLE_HUMAN 20229498 "Tacal O, Lockridge O: Methamidophos, dichlorvos, O-methoate and diazinon pesticides used in Turkey make a covalent bond with butyrylcholinesterase detected by mass spectrometry. J Appl Toxicol. 2010 Jul;30(5):469-75. doi: 10.1002/jat.1518." Vet_approved Dialkyl phosphates Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters "Potential QTc-Prolonging Agents; Anti-Infective Agents; Organophosphates; QTc Prolonging Agents; Enzyme Inhibitors; Organophosphorus Compounds; Cholinesterase Inhibitors; Neurotransmitter Agents; Pesticides; Agrochemicals; Toxic Actions; Cholinergic Agents; Anthelmintics; Antiparasitic Agents; Insecticides; Compounds used in a research, industrial, or household setting" COP(=O)(OC)OC=C(Cl)Cl D03791 Dichlorvos CHEMBL167911 DB11425 Luprostiol BE0000132 AR P10275 ANDR_HUMAN inhibitor 21712449 "Siddique HR, Mishra SK, Karnes RJ, Saleem M: Lupeol, a novel androgen receptor inhibitor: implications in prostate cancer therapy. Clin Cancer Res. 2011 Aug 15;17(16):5379-91. doi: 10.1158/1078-0432.CCR-11-0916. Epub 2011 Jun 28." Experimental; Vet_approved "Inflammation Mediators; Biological Factors; Prostaglandins; Lipids; Autacoids; Fatty Acids; Eicosanoids; Fatty Acids, Unsaturated; Prostaglandins, Synthetic" O[C@H](COC1=CC(Cl)=CC=C1)CS[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1C\C=C/CCCC(O)=O D08151 2583725 DB11429 Mibolerone BE0000132 AR P10275 ANDR_HUMAN 12676605; 15253041 "Kojima H, Iida M, Katsura E, Kanetoshi A, Hori Y, Kobayashi K: Effects of a diphenyl ether-type herbicide, chlornitrofen, and its amino derivative on androgen and estrogen receptor activities. Environ Health Perspect. 2003 Apr;111(4):497-502.@@Okubo T, Yokoyama Y, Kano K, Soya Y, Kano I: Estimation of estrogenic and antiestrogenic activities of selected pesticides by MCF-7 cell proliferation assay. Arch Environ Contam Toxicol. 2004 May;46(4):445-53." Vet_approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Fused-Ring Compounds; Gonadal Steroid Hormones; Gonadal Hormones; Estranes; Hormones; Steroids; Testosterone Congeners; Testosterone and derivatives; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H] D05025 Mibolerone CHEMBL425863 DB11447 Phenothiazine BE0000132 AR P10275 ANDR_HUMAN 17606915 "Bisson WH, Cheltsov AV, Bruey-Sedano N, Lin B, Chen J, Goldberger N, May LT, Christopoulos A, Dalton JT, Sexton PM, Zhang XK, Abagyan R: Discovery of antiandrogen activity of nonsteroidal scaffolds of marketed drugs. Proc Natl Acad Sci U S A. 2007 Jul 17;104(29):11927-32. Epub 2007 Jul 2." Experimental; Vet_approved Phenothiazines Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines "Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antiprotozoals; Sulfur Compounds; Antiparasitic Agents" N1C2=CC=CC=C2SC2=CC=CC=C12 7982 D02601 Phenothiazine CHEMBL828 DB11478 Zeranol BE0000123 ESR1 P03372 ESR1_HUMAN 19913605 Dang Z: Comparison of relative binding affinities to fish and mammalian estrogen receptors: the regulatory implications. Toxicol Lett. 2010 Feb 15;192(3):298-315. doi: 10.1016/j.toxlet.2009.11.004. Epub 2009 Nov 12. Experimental; Vet_approved Macrolides and analogues Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues "Zearalenone; Phenols; Estrogens; Lactones; Benzene Derivatives; Estrogens, Non-Steroidal; Resorcinols; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" C[C@H]1CCC[C@H](O)CCCCCC2=CC(O)=CC(O)=C2C(=O)O1 2361 D06362 Zeranol CHEMBL450613 1368476 DB11478 Zeranol BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Experimental; Vet_approved Macrolides and analogues Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues "Zearalenone; Phenols; Estrogens; Lactones; Benzene Derivatives; Estrogens, Non-Steroidal; Resorcinols; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" C[C@H]1CCC[C@H](O)CCCCCC2=CC(O)=CC(O)=C2C(=O)O1 2361 D06362 Zeranol CHEMBL450613 1368476 DB11541 Ractopamine BE0000123 ESR1 P03372 ESR1_HUMAN 24928891 "McRobb FM, Kufareva I, Abagyan R: In silico identification and pharmacological evaluation of novel endocrine disrupting chemicals that act via the ligand-binding domain of the estrogen receptor alpha. Toxicol Sci. 2014 Sep;141(1):188-97. doi: 10.1093/toxsci/kfu114. Epub 2014 Jun 13." Vet_approved 1-hydroxy-2-unsubstituted benzenoids Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids Adrenergic beta-Agonists; Adrenergic Agonists; Amines; Growth Substances; Neurotransmitter Agents; Agents that produce hypertension; Agents producing tachycardia; Ethylamines; Adrenergic Agents CC(CCC1=CC=C(O)C=C1)NCC(O)C1=CC=C(O)C=C1 1267 Ractopamine CHEMBL509336 1311677 DB11564 Insulin argine BE0000033 INSR P06213 INSR_HUMAN agonist 27512793 De Meyts P: The Insulin Receptor and Its Signal Transduction Network . Experimental Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP1A2 Inducers; Insulin; Blood Glucose Lowering Agents 1740938 DB11564 Insulin argine BE0000858 IGF1R P08069 IGF1R_HUMAN activator 22420005; 31771180; 25905175 "Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct.@@Sarfstein R, Nagaraj K, LeRoith D, Werner H: Differential Effects of Insulin and IGF1 Receptors on ERK and AKT Subcellular Distribution in Breast Cancer Cells. Cells. 2019 Nov 23;8(12). pii: cells8121499. doi: 10.3390/cells8121499.@@Donner T, Sarkar S: Insulin - Pharmacology, Therapeutic Regimens, and Principles of Intensive Insulin Therapy ." Experimental Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP1A2 Inducers; Insulin; Blood Glucose Lowering Agents 1740938 DB11567 Insulin peglispro BE0000033 INSR P06213 INSR_HUMAN 27723227; 27512793 "Cusi K, Sanyal AJ, Zhang S, Hoogwerf BJ, Chang AM, Jacober SJ, Bue-Valleskey JM, Higdon AN, Bastyr EJ 3rd, Haupt A, Hartman ML: Different effects of basal insulin peglispro and insulin glargine on liver enzymes and liver fat content in patients with type 1 and type 2 diabetes. Diabetes Obes Metab. 2016 Oct;18 Suppl 2:50-58. doi: 10.1111/dom.12751.@@De Meyts P: The Insulin Receptor and Its Signal Transduction Network ." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Cytochrome P-450 CYP1A2 Inducers; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Cytochrome P-450 Enzyme Inducers; Glycols; Alcohols; Macromolecular Substances; Hormones; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Peptides; Pancreatic Hormones; Insulin; Compounds used in a research, industrial, or household setting; Peptide Hormones; Polymers; Ethylene Glycols; Pegylated agents; Insulin, Long-Acting; Hormones, Hormone Substitutes, and Hormone Antagonists" DB11567 Insulin peglispro BE0000858 IGF1R P08069 IGF1R_HUMAN activator 22420005; 31771180; 25905175 "Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct.@@Sarfstein R, Nagaraj K, LeRoith D, Werner H: Differential Effects of Insulin and IGF1 Receptors on ERK and AKT Subcellular Distribution in Breast Cancer Cells. Cells. 2019 Nov 23;8(12). pii: cells8121499. doi: 10.3390/cells8121499.@@Donner T, Sarkar S: Insulin - Pharmacology, Therapeutic Regimens, and Principles of Intensive Insulin Therapy ." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Cytochrome P-450 CYP1A2 Inducers; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Cytochrome P-450 Enzyme Inducers; Glycols; Alcohols; Macromolecular Substances; Hormones; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Peptides; Pancreatic Hormones; Insulin; Compounds used in a research, industrial, or household setting; Peptide Hormones; Polymers; Ethylene Glycols; Pegylated agents; Insulin, Long-Acting; Hormones, Hormone Substitutes, and Hormone Antagonists" DB11568 Insulin tregopil BE0000033 INSR P06213 INSR_HUMAN agonist 27512793 De Meyts P: The Insulin Receptor and Its Signal Transduction Network . Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Insulin; Blood Glucose Lowering Agents" DB11568 Insulin tregopil BE0000858 IGF1R P08069 IGF1R_HUMAN activator 22420005; 31771180; 25905175 "Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct.@@Sarfstein R, Nagaraj K, LeRoith D, Werner H: Differential Effects of Insulin and IGF1 Receptors on ERK and AKT Subcellular Distribution in Breast Cancer Cells. Cells. 2019 Nov 23;8(12). pii: cells8121499. doi: 10.3390/cells8121499.@@Donner T, Sarkar S: Insulin - Pharmacology, Therapeutic Regimens, and Principles of Intensive Insulin Therapy ." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Insulin; Blood Glucose Lowering Agents" DB11571 Human thrombin BE0000041 F5 P12259 FA5_HUMAN activator 17635715 "Crawley JT, Zanardelli S, Chion CK, Lane DA: The central role of thrombin in hemostasis. J Thromb Haemost. 2007 Jul;5 Suppl 1:95-101. doi: 10.1111/j.1538-7836.2007.02500.x." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Blood Coagulation Factors; Increased Coagulation Factor Activity 11564 347911204 825006 DB11571 Human thrombin BE0000016 F8 P00451 FA8_HUMAN activator 17635715 "Crawley JT, Zanardelli S, Chion CK, Lane DA: The central role of thrombin in hemostasis. J Thromb Haemost. 2007 Jul;5 Suppl 1:95-101. doi: 10.1111/j.1538-7836.2007.02500.x." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Blood Coagulation Factors; Increased Coagulation Factor Activity 11564 347911204 825006 DB11571 Human thrombin BE0001021 F11 P03951 FA11_HUMAN activator 17635715; 9888880 "Crawley JT, Zanardelli S, Chion CK, Lane DA: The central role of thrombin in hemostasis. J Thromb Haemost. 2007 Jul;5 Suppl 1:95-101. doi: 10.1111/j.1538-7836.2007.02500.x.@@Oliver JA, Monroe DM, Roberts HR, Hoffman M: Thrombin activates factor XI on activated platelets in the absence of factor XII. Arterioscler Thromb Vasc Biol. 1999 Jan;19(1):170-7. doi: 10.1161/01.atv.19.1.170." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Blood Coagulation Factors; Increased Coagulation Factor Activity 11564 347911204 825006 DB11571 Human thrombin BE0000004 F13A1 P00488 F13A_HUMAN activator 17635715 "Crawley JT, Zanardelli S, Chion CK, Lane DA: The central role of thrombin in hemostasis. J Thromb Haemost. 2007 Jul;5 Suppl 1:95-101. doi: 10.1111/j.1538-7836.2007.02500.x." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Blood Coagulation Factors; Increased Coagulation Factor Activity 11564 347911204 825006 DB11571 Human thrombin BE0009075 F13B P05160 F13B_HUMAN activator 17635715 "Crawley JT, Zanardelli S, Chion CK, Lane DA: The central role of thrombin in hemostasis. J Thromb Haemost. 2007 Jul;5 Suppl 1:95-101. doi: 10.1111/j.1538-7836.2007.02500.x." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Blood Coagulation Factors; Increased Coagulation Factor Activity 11564 347911204 825006 DB11572 Thrombin alfa BE0000041 F5 P12259 FA5_HUMAN activator 27262193 "Ustinov NB, Zav'yalova EG, Kopylov AM: Effect of Thrombin Inhibitors on Positive Feedback in the Coagulation Cascade. Biochemistry (Mosc). 2016 Mar;81(3):242-8. doi: 10.1134/S0006297916030068." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Factor Activity; Peptide Hydrolases; Biological Factors; Hydrolases; Enzymes and Coenzymes; Hemostatics; Hemorrhage; Endopeptidases; Serine Proteases; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes" 20562 347911205 1367075 DB11572 Thrombin alfa BE0000016 F8 P00451 FA8_HUMAN activator 27262193 "Ustinov NB, Zav'yalova EG, Kopylov AM: Effect of Thrombin Inhibitors on Positive Feedback in the Coagulation Cascade. Biochemistry (Mosc). 2016 Mar;81(3):242-8. doi: 10.1134/S0006297916030068." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Factor Activity; Peptide Hydrolases; Biological Factors; Hydrolases; Enzymes and Coenzymes; Hemostatics; Hemorrhage; Endopeptidases; Serine Proteases; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes" 20562 347911205 1367075 DB11580 Ravulizumab BE0000855 C5 P01031 CO5_HUMAN inhibitor 34820672; 31534662 "Ladwig PM, Willrich MAV: Ravulizumab: Characterization and quantitation of a new C5 inhibitor using isotype specific affinity purification and high-resolution mass spectrometry. J Mass Spectrom Adv Clin Lab. 2021 Aug 12;21:10-18. doi: 10.1016/j.jmsacl.2021.08.002. eCollection 2021 Aug.@@Stern RM, Connell NT: Ravulizumab: a novel C5 inhibitor for the treatment of paroxysmal nocturnal hemoglobinuria. Ther Adv Hematol. 2019 Sep 10;10:2040620719874728. doi: 10.1177/2040620719874728. eCollection 2019." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Immunotherapy; Serum Globulins; Immunologic Factors; Immunoproteins; Selective Immunosuppressants; Antibodies, Monoclonal, Humanized; Complement Inactivating Agents; Proteins; Globulins; Blood Proteins; Complement Inactivator Proteins; Amino Acids, Peptides, and Proteins" 23349 Ravulizumab 2107316 DB11581 Venetoclax BE0000246 BCL2 P10415 BCL2_HUMAN antagonist 23410971; 23291630; 28056525; 33275726; 27092880; 33199836; 31591468; 33578607 "Davids MS, Letai A: ABT-199: taking dead aim at BCL-2. Cancer Cell. 2013 Feb 11;23(2):139-41. doi: 10.1016/j.ccr.2013.01.018.@@Souers AJ, Leverson JD, Boghaert ER, Ackler SL, Catron ND, Chen J, Dayton BD, Ding H, Enschede SH, Fairbrother WJ, Huang DC, Hymowitz SG, Jin S, Khaw SL, Kovar PJ, Lam LT, Lee J, Maecker HL, Marsh KC, Mason KD, Mitten MJ, Nimmer PM, Oleksijew A, Park CH, Park CM, Phillips DC, Roberts AW, Sampath D, Seymour JF, Smith ML, Sullivan GM, Tahir SK, Tse C, Wendt MD, Xiao Y, Xue JC, Zhang H, Humerickhouse RA, Rosenberg SH, Elmore SW: ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets. Nat Med. 2013 Feb;19(2):202-8. doi: 10.1038/nm.3048. Epub 2013 Jan 6.@@King AC, Peterson TJ, Horvat TZ, Rodriguez M, Tang LA: Venetoclax: A First-in-Class Oral BCL-2 Inhibitor for the Management of Lymphoid Malignancies. Ann Pharmacother. 2017 May;51(5):410-416. doi: 10.1177/1060028016685803. Epub 2017 Jan 6.@@Castillo JJ, Treon SP: Management of Waldenstrom macroglobulinemia in 2020. Hematology Am Soc Hematol Educ Program. 2020 Dec 4;2020(1):372-379. doi: 10.1182/hematology.2020000121.@@Pallis M, Burrows F, Ryan J, Grundy M, Seedhouse C, Abdul-Aziz A, Montero J, Letai A, Russell N: Complementary dynamic BH3 profiles predict co-operativity between the multi-kinase inhibitor TG02 and the BH3 mimetic ABT-199 in acute myeloid leukaemia cells. Oncotarget. 2017 Mar 7;8(10):16220-16232. doi: 10.18632/oncotarget.8742.@@Emadi A, Kapadia B, Bollino D, Bhandary B, Baer MR, Niyongere S, Strovel ET, Kaizer H, Chang E, Choi EY, Ma X, Tighe KM, Carter-Cooper B, Moses BS, Civin CI, Mahurkar A, Shetty AC, Gartenhaus RB, Kamangar F, Lapidus RG: Venetoclax and pegcrisantaspase for complex karyotype acute myeloid leukemia. Leukemia. 2021 Jul;35(7):1907-1924. doi: 10.1038/s41375-020-01080-6. Epub 2020 Nov 16.@@Castillo JJ, Treon SP: What is new in the treatment of Waldenstrom macroglobulinemia? Leukemia. 2019 Nov;33(11):2555-2562. doi: 10.1038/s41375-019-0592-8. Epub 2019 Oct 7.@@Wang L, Lin N: Double remission of chronic lymphocytic leukemia and secondary acute myeloid leukemia after venetoclax monotherapy: A case report. Medicine (Baltimore). 2021 Feb 12;100(6):e24703. doi: 10.1097/MD.0000000000024703." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines OATP1B1/SLCO1B1 Inhibitors; Increased Cellular Death; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Amides; BCL-2 Inhibitor; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Sulfur Compounds; Narrow Therapeutic Index Drugs CC1(C)CCC(CN2CCN(CC2)C2=CC=C(C(=O)NS(=O)(=O)C3=CC=C(NCC4CCOCC4)C(=C3)[N+]([O-])=O)C(OC3=CN=C4NC=CC4=C3)=C2)=C(C1)C1=CC=C(Cl)C=C1 22812 347827991 D10679 PA166153473 Venetoclax CHEMBL3137309 1747556 DB11582 Thiocolchicoside BE0000433 GLRA1 P23415 GLRA1_HUMAN antagonist 17234181 "Mascia MP, Bachis E, Obili N, Maciocco E, Cocco GA, Sechi GP, Biggio G: Thiocolchicoside inhibits the activity of various subtypes of recombinant GABA(A) receptors expressed in Xenopus laevis oocytes. Eur J Pharmacol. 2007 Mar 8;558(1-3):37-42. Epub 2006 Dec 12." Experimental Phenolic glycosides Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Muscle Relaxants, Centrally Acting Agents; Musculo-Skeletal System; Central Nervous System Depressants; Muscle Relaxants; Alkaloids" COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2CC[C@H](NC(C)=O)C3=CC(=O)C(SC)=CC=C3C2=C1OC 347827992 D07276 Thiocolchicoside CHEMBL213907 38085 DB11582 Thiocolchicoside BE0003517 TNFSF11 O14788 TNF11_HUMAN antagonist 21955206 "Reuter S, Gupta SC, Phromnoi K, Aggarwal BB: Thiocolchicoside suppresses osteoclastogenesis induced by RANKL and cancer cells through inhibition of inflammatory pathways: a new use for an old drug. Br J Pharmacol. 2012 Apr;165(7):2127-39. doi: 10.1111/j.1476-5381.2011.01702.x." Experimental Phenolic glycosides Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Muscle Relaxants, Centrally Acting Agents; Musculo-Skeletal System; Central Nervous System Depressants; Muscle Relaxants; Alkaloids" COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2CC[C@H](NC(C)=O)C3=CC(=O)C(SC)=CC=C3C2=C1OC 347827992 D07276 Thiocolchicoside CHEMBL213907 38085 DB11588 Carbon monoxide BE0004467 MB P02144 MYG_HUMAN inhibitor 29360803; 11387414 "Djenane D, Roncales P: Carbon Monoxide in Meat and Fish Packaging: Advantages and Limits. Foods. 2018 Jan 23;7(2). pii: foods7020012. doi: 10.3390/foods7020012.@@Blumenthal I: Carbon monoxide poisoning. J R Soc Med. 2001 Jun;94(6):270-2. doi: 10.1177/014107680109400604." Approved; Investigational Homogeneous other non-metal compounds Inorganic compounds; Homogeneous non-metal compounds; Homogeneous other non-metal compounds "Oxides; Gases; Diagnostic Agents; Oxygen Compounds; Neurotransmitter Agents; Noxae; Toxic Actions; Gasotransmitters; Carbon Compounds, Inorganic" 1938 347827995 D09706 Carbon_monoxide CHEMBL1231840 2037 DB11590 Thimerosal BE0000734 MTR Q99707 METH_HUMAN antagonist Approved O-sulfanylbenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Organometallic Compounds; Cell-mediated Immunity; Pharmaceutical Preparations; Pharmaceutic Aids; Antiseptics and Disinfectants; Ethylmercury Compounds; Alkylmercury Compounds; Preservatives, Pharmaceutical; Dermatologicals; Mercurial Products; Organomercury Compounds; Standardized Chemical Allergen; Increased Histamine Release; Compounds used in a research, industrial, or household setting" [Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O 9234 347827997 D00864 Thiomersal CHEMBL508338 10472 DB11590 Thimerosal BE0000030 SLC7A11 Q9UPY5 XCT_HUMAN antagonist Approved O-sulfanylbenzoic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Organometallic Compounds; Cell-mediated Immunity; Pharmaceutical Preparations; Pharmaceutic Aids; Antiseptics and Disinfectants; Ethylmercury Compounds; Alkylmercury Compounds; Preservatives, Pharmaceutical; Dermatologicals; Mercurial Products; Organomercury Compounds; Standardized Chemical Allergen; Increased Histamine Release; Compounds used in a research, industrial, or household setting" [Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O 9234 347827997 D00864 Thiomersal CHEMBL508338 10472 DB11591 Bilastine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 27110120 "Wang XY, Lim-Jurado M, Prepageran N, Tantilipikorn P, Wang de Y: Treatment of allergic rhinitis and urticaria: a review of the newest antihistamine drug bilastine. Ther Clin Risk Manag. 2016 Apr 13;12:585-97. doi: 10.2147/TCRM.S105189. eCollection 2016." Approved; Investigational Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles "Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Ophthalmologicals; Decongestants and Antiallergics; QTc Prolonging Agents; Histamine Antagonists; Histamine H1 Antagonists; Histamine H1 Antagonists, Non-Sedating; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Antihistamines for Systemic Use; Sensory Organs" CCOCCN1C(=NC2=CC=CC=C12)C1CCN(CCC2=CC=C(C=C2)C(C)(C)C(O)=O)CC1 Bilastine H1-Antihistamine Action drug_action 22707 347827998 Bilastine CHEMBL1742423 DB11595 Atezolizumab BE0003441 CD274 Q9NZQ7 PD1L1_HUMAN inhibitor 27412122; 26952546; 33807678 "Markham A: Atezolizumab: First Global Approval. Drugs. 2016 Aug;76(12):1227-32. doi: 10.1007/s40265-016-0618-8.@@Rosenberg JE, Hoffman-Censits J, Powles T, van der Heijden MS, Balar AV, Necchi A, Dawson N, O'Donnell PH, Balmanoukian A, Loriot Y, Srinivas S, Retz MM, Grivas P, Joseph RW, Galsky MD, Fleming MT, Petrylak DP, Perez-Gracia JL, Burris HA, Castellano D, Canil C, Bellmunt J, Bajorin D, Nickles D, Bourgon R, Frampton GM, Cui N, Mariathasan S, Abidoye O, Fine GD, Dreicer R: Atezolizumab in patients with locally advanced and metastatic urothelial carcinoma who have progressed following treatment with platinum-based chemotherapy: a single-arm, multicentre, phase 2 trial. Lancet. 2016 May 7;387(10031):1909-20. doi: 10.1016/S0140-6736(16)00561-4. Epub 2016 Mar 4.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; PD-1/PDL-1 (Programmed cell death protein 1/death ligand 1) inhibitors; Antibodies; Immunotherapy; Proteins; Programmed Death Receptor-1 Blocking Antibody; Antineoplastic Agents; Immunoglobulins; Immune Checkpoint Inhibitors; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Programmed Death Receptor-1-directed Antibody Interactions; Narrow Therapeutic Index Drugs; Blood Proteins" 22863 347911207 D10773 Atezolizumab 1792776 DB11605 Myrrh BE0001777 NR1H4 Q96RI1 NR1H4_HUMAN antagonist 11988537 "Urizar NL, Liverman AB, Dodds DT, Silva FV, Ordentlich P, Yan Y, Gonzalez FJ, Heyman RA, Mangelsdorf DJ, Moore DD: A natural product that lowers cholesterol as an antagonist ligand for FXR. Science. 2002 May 31;296(5573):1703-6. Epub 2002 May 2." Approved Viridiplantae; Biological Products; Angiosperms; Burseraceae; Eukaryota; Tracheophyta; Complex Mixtures; Polymers; Embryophyta; Macromolecular Substances; Biopolymers; Streptophyta; Commiphora; Plant Exudates 6952 347911215 Myrrh 67257 DB11605 Myrrh BE0000071 PPARA Q07869 PPARA_HUMAN agonist 11988537 "Urizar NL, Liverman AB, Dodds DT, Silva FV, Ordentlich P, Yan Y, Gonzalez FJ, Heyman RA, Mangelsdorf DJ, Moore DD: A natural product that lowers cholesterol as an antagonist ligand for FXR. Science. 2002 May 31;296(5573):1703-6. Epub 2002 May 2." Approved Viridiplantae; Biological Products; Angiosperms; Burseraceae; Eukaryota; Tracheophyta; Complex Mixtures; Polymers; Embryophyta; Macromolecular Substances; Biopolymers; Streptophyta; Commiphora; Plant Exudates 6952 347911215 Myrrh 67257 DB11606 Susoctocog alfa BE0001043 VWF P04275 VWF_HUMAN binding Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Blood and Blood Forming Organs; Blood Coagulation Factors; Hemostatics 22653 347911216 Susoctocog_alfa 1592899 DB11607 Efmoroctocog alfa BE0001043 VWF P04275 VWF_HUMAN binding Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Human Antihemophilic Factors; Hemostatics 22511 347911217 Efmoroctocog_alfa 1543095 DB11611 Lifitegrast BE0000516 ITGAL P20701 ITAL_HUMAN antagonist 27883115 Paton DM: Lifitegrast: First LFA-1/ICAM-1 antagonist for treatment of dry eye disease. Drugs Today (Barc). 2016 Sep;52(9):485-493. Approved Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Anti-Inflammatory Agents; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Anti-inflammatory Agents, Miscellaneous; Cytochrome P-450 Enzyme Inhibitors; Pharmaceutical Solutions; Cytochrome P-450 CYP2C9 Inhibitors; Amino Acids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Lymphocyte Function-Associated Antigen-1; Compounds used in a research, industrial, or household setting; Solutions; Pharmaceutical Preparations; Ophthalmologicals; Amino Acids, Cyclic; Lymphocyte Function-Associated Antigen-1 Antagonists; Sulfur Compounds; Lymphocyte Function-Associated Antigen-1 Antagonist; Ophthalmic Solutions; Sensory Organs" CS(=O)(=O)C1=CC(C[C@H](NC(=O)C2=C(Cl)C3=C(CN(CC3)C(=O)C3=CC=C4C=COC4=C3)C=C2Cl)C(O)=O)=CC=C1 22923 347828006 D10374 Lifitegrast CHEMBL2048028 1801820 DB11614 Rupatadine BE0005561 PTAFR P25105 PTAFR_HUMAN antagonist 8996188 "Merlos M, Giral M, Balsa D, Ferrando R, Queralt M, Puigdemont A, Garcia-Rafanell J, Forn J: Rupatadine, a new potent, orally active dual antagonist of histamine and platelet-activating factor (PAF). J Pharmacol Exp Ther. 1997 Jan;280(1):114-21." Approved Benzocycloheptapyridines Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines "Platelet Activating Factor, antagonists & inhibitors; Potential QTc-Prolonging Agents; Piperidines; Cytochrome P-450 CYP2D6 Substrates; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzocycloheptenes; Benzocycloheptenes; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Substrates" CC1=CC(CN2CCC(CC2)=C2C3=CC=C(Cl)C=C3CCC3=C2N=CC=C3)=CN=C1 Rupatadine H1-Antihistamine Action drug_action 22754 347828008 PA165107052 Rupatadine CHEMBL91397 DB11614 Rupatadine BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 8996188 "Merlos M, Giral M, Balsa D, Ferrando R, Queralt M, Puigdemont A, Garcia-Rafanell J, Forn J: Rupatadine, a new potent, orally active dual antagonist of histamine and platelet-activating factor (PAF). J Pharmacol Exp Ther. 1997 Jan;280(1):114-21." Approved Benzocycloheptapyridines Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines "Platelet Activating Factor, antagonists & inhibitors; Potential QTc-Prolonging Agents; Piperidines; Cytochrome P-450 CYP2D6 Substrates; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzocycloheptenes; Benzocycloheptenes; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Substrates" CC1=CC(CN2CCC(CC2)=C2C3=CC=C(Cl)C=C3CCC3=C2N=CC=C3)=CN=C1 Rupatadine H1-Antihistamine Action drug_action 22754 347828008 PA165107052 Rupatadine CHEMBL91397 DB11619 Gestrinone BE0000685 SHBG P04278 SHBG_HUMAN antagonist Approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Antigonadotropins and Similar Agents; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Norpregnatrienes; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 347828012 D04317 Gestrinone CHEMBL1868702 4792 DB11619 Gestrinone BE0000557 PGR P06401 PRGR_HUMAN antagonist Approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Antigonadotropins and Similar Agents; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Norpregnatrienes; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 347828012 D04317 Gestrinone CHEMBL1868702 4792 DB11619 Gestrinone BE0000794 NR3C1 P04150 GCR_HUMAN antagonist Approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Antigonadotropins and Similar Agents; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Norpregnatrienes; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 347828012 D04317 Gestrinone CHEMBL1868702 4792 DB11619 Gestrinone BE0000132 AR P10275 ANDR_HUMAN antagonist Approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Antigonadotropins and Similar Agents; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Norpregnatrienes; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 347828012 D04317 Gestrinone CHEMBL1868702 4792 DB11619 Gestrinone BE0000203 GNRHR P30968 GNRHR_HUMAN antagonist Approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Antigonadotropins and Similar Agents; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Norpregnatrienes; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 347828012 D04317 Gestrinone CHEMBL1868702 4792 DB11619 Gestrinone BE0000123 ESR1 P03372 ESR1_HUMAN antagonist Approved Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Antigonadotropins and Similar Agents; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Norpregnatrienes; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 347828012 D04317 Gestrinone CHEMBL1868702 4792 DB11623 Candoxatrilat BE0000266 MME P08473 NEP_HUMAN inhibitor 2611529; 16085334 "Alabaster CT, Machin I, Samuels GM, Sutton MR: The effects of UK-79,300, an orally-absorbed atriopeptidase inhibitor, in a conscious dog model of cardiac insufficiency. Br J Pharmacol. 1989 Dec;98 Suppl:823P.@@Sansoe G, Aragno M, Mastrocola R, Restivo F, Mengozzi G, Smedile A, Rosina F, Danni O, Parola M, Rizzetto M: Neutral endopeptidase (EC 3.4.24.11) in cirrhotic liver: a new target to treat portal hypertension? J Hepatol. 2005 Nov;43(5):791-8. Epub 2005 Jun 20." Experimental Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Protease Inhibitors; Cycloparaffins; Enzyme Inhibitors; Acids, Carbocyclic; Neprilysin, antagonists & inhibitors; Cyclohexanes" COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(O)=O 347828015 D03349 Candoxatril CHEMBL434492 DB11626 Tasonermin BE0001139 TNFRSF1A P19438 TNR1A_HUMAN agonist 12655295 "Wajant H, Pfizenmaier K, Scheurich P: Tumor necrosis factor signaling. Cell Death Differ. 2003 Jan;10(1):45-65. doi: 10.1038/sj.cdd.4401189." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Adjuvants, Immunologic; Antineoplastic and Immunomodulating Agents" Tumor_necrosis_factor 283746 DB11632 Opicapone BE0002089 COMT P21964 COMT_HUMAN inhibitor 27498199; 16690967 "Scott LJ: Opicapone: A Review in Parkinson's Disease. Drugs. 2016 Sep;76(13):1293-1300. doi: 10.1007/s40265-016-0623-y.@@Tardy B, Lecompte T, Boelhen F, Tardy-Poncet B, Elalamy I, Morange P, Gruel Y, Wolf M, Francois D, Racadot E, Camarasa P, Blouch MT, Nguyen F, Doubine S, Dutrillaux F, Alhenc-Gelas M, Martin-Toutain I, Bauters A, Ffrench P, de Maistre E, Grunebaum L, Mouton C, Huisse MG, Gouault-Heilmann M, Lucke V: Predictive factors for thrombosis and major bleeding in an observational study in 181 patients with heparin-induced thrombocytopenia treated with lepirudin. Blood. 2006 Sep 1;108(5):1492-6. Epub 2006 May 11." Approved; Investigational Phenyloxadiazoles Organic compounds; Organoheterocyclic compounds; Azoles; Oxadiazoles OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Enzyme Inhibitors; COMT Inhibitors; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anti-Parkinson Drugs; Cytochrome P-450 CYP2B6 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Oxazoles; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; OATP1B3 substrates; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Dopamine Agents; Anti-Dyskinesia Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CC1=C(C2=NOC(=N2)C2=CC(=C(O)C(O)=C2)[N+]([O-])=O)C(Cl)=[N+]([O-])C(C)=C1Cl Opicapone CHEMBL1089318 2362167 DB11633 Isavuconazole BE0000430 CACNA1C Q13936 CAC1C_HUMAN inhibitor 28074556 "Keirns J, Desai A, Kowalski D, Lademacher C, Mujais S, Parker B, Schneidkraut MJ, Townsend R, Wojtkowski T, Yamazaki T, Yen M, Kowey PR: QT Interval Shortening With Isavuconazole: In Vitro and In Vivo Effects on Cardiac Repolarization. Clin Pharmacol Ther. 2017 Jun;101(6):782-790. doi: 10.1002/cpt.620. Epub 2017 Feb 13." Approved; Investigational Phenylpropanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Antiinfectives for Systemic Use; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Triazole Derivatives; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Triazole and tetrazole derivatives; Anti-Infective Agents; Isavuconazole and Prodrugs; Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Inducers (weak); Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Antimycotics for Systemic Use; Cytochrome P-450 CYP3A4 Substrates (strength unknown) C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1 Isavuconazonium CHEMBL409153 1720882 DB11633 Isavuconazole BE0001030 KCNJ6 P48051 KCNJ6_HUMAN inhibitor 28074556 "Keirns J, Desai A, Kowalski D, Lademacher C, Mujais S, Parker B, Schneidkraut MJ, Townsend R, Wojtkowski T, Yamazaki T, Yen M, Kowey PR: QT Interval Shortening With Isavuconazole: In Vitro and In Vivo Effects on Cardiac Repolarization. Clin Pharmacol Ther. 2017 Jun;101(6):782-790. doi: 10.1002/cpt.620. Epub 2017 Feb 13." Approved; Investigational Phenylpropanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Antiinfectives for Systemic Use; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Triazole Derivatives; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Triazole and tetrazole derivatives; Anti-Infective Agents; Isavuconazole and Prodrugs; Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Inducers (weak); Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Antimycotics for Systemic Use; Cytochrome P-450 CYP3A4 Substrates (strength unknown) C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1 Isavuconazonium CHEMBL409153 1720882 DB11633 Isavuconazole BE0003604 KCND3 Q9UK17 KCND3_HUMAN inhibitor 28074556 "Keirns J, Desai A, Kowalski D, Lademacher C, Mujais S, Parker B, Schneidkraut MJ, Townsend R, Wojtkowski T, Yamazaki T, Yen M, Kowey PR: QT Interval Shortening With Isavuconazole: In Vitro and In Vivo Effects on Cardiac Repolarization. Clin Pharmacol Ther. 2017 Jun;101(6):782-790. doi: 10.1002/cpt.620. Epub 2017 Feb 13." Approved; Investigational Phenylpropanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Antiinfectives for Systemic Use; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Triazole Derivatives; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Triazole and tetrazole derivatives; Anti-Infective Agents; Isavuconazole and Prodrugs; Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Inducers (weak); Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Antimycotics for Systemic Use; Cytochrome P-450 CYP3A4 Substrates (strength unknown) C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1 Isavuconazonium CHEMBL409153 1720882 DB11633 Isavuconazole BE0000672 KCNQ1 P51787 KCNQ1_HUMAN inhibitor 28074556 "Keirns J, Desai A, Kowalski D, Lademacher C, Mujais S, Parker B, Schneidkraut MJ, Townsend R, Wojtkowski T, Yamazaki T, Yen M, Kowey PR: QT Interval Shortening With Isavuconazole: In Vitro and In Vivo Effects on Cardiac Repolarization. Clin Pharmacol Ther. 2017 Jun;101(6):782-790. doi: 10.1002/cpt.620. Epub 2017 Feb 13." Approved; Investigational Phenylpropanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Antiinfectives for Systemic Use; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Triazole Derivatives; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Triazole and tetrazole derivatives; Anti-Infective Agents; Isavuconazole and Prodrugs; Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Inducers (weak); Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Antimycotics for Systemic Use; Cytochrome P-450 CYP3A4 Substrates (strength unknown) C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1 Isavuconazonium CHEMBL409153 1720882 DB11635 Tocofersolan BE0001032 ABCB1 P08183 MDR1_HUMAN antagonist Approved "Drug Carriers; Vitamins; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Vitamin E; Cytochrome P-450 CYP3A4 Substrates; Pyrans; Alimentary Tract and Metabolism; Compounds used in a research, industrial, or household setting" 72 347911221 Tocofersolan 159151 DB11638 Artenimol BE0005013 ACTG1 P63261 ACTG_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0001170 ANXA2 P07355 ANXA2_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0003840 ATP5A1 P25705 ATPA_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009022 ATP5L O75964 ATP5L_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009097 ATP5O P48047 ATPO_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0000904 CAST P20810 ICAL_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0004554 CCT3 P49368 TCPG_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0004174 CFL1 P23528 COF1_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0005284 CLIC1 O00299 CLIC1_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009098 CSRP1 P21291 CSRP1_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0005806 DPYSL2 Q16555 DPYL2_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0004528 EEF1A1 P68104 EF1A1_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009099 FLNA P21333 FLNA_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0005795 FTO Q9C0B1 FTO_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0001089 G6PD P11413 G6PD_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0001199 GPI P06744 G6PI_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0008960 HNRNPA2B1 P22626 ROA2_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009100 HNRNPD Q14103 HNRPD_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009026 HNRNPK P61978 HNRPK_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009101 HP1BP3 Q5SSJ5 HP1B3_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009102 IQGAP1 P46940 IQGA1_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0000068 LDHB P07195 LDHB_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0003475 MAP4 P27816 MAP4_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0000589 MDH1 P40925 MDHC_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0003419 NPEPPS P55786 PSA_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0004118 PFN1 P07737 PROF1_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0004454 PGK1 P00558 PGK1_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0000088 PKM P14618 KPYM_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0001014 PPIA P62937 PPIA_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0005844 PRDX1 Q06830 PRDX1_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009105 RPL14 P50914 RL14_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009106 RPL18 Q07020 RL18_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009108 RPL4 P36578 RL4_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009111 RPS18 P62269 RS18_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009112 RPS19 P39019 RS19_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009114 RPS5 P46782 RS5_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009118 SF1 Q15637 SF01_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0008965 SFPQ P23246 SFPQ_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009120 SRSF4 Q08170 SRSF4_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0003844 TPI1 P60174 TPIS_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0008977 PGAM1 P18669 PGAM1_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009161 MYH9 P35579 MYH9_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0002467 P4HB P07237 PDIA1_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11638 Artenimol BE0009103 NPM1 P06748 NPM_HUMAN ligand 26340163 "Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21." Approved; Experimental; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors" [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4 Dihydroartemisinin CHEMBL25164 DB11639 Dibotermin alfa BE0009324 BMPR2 Q13873 BMPR2_HUMAN ligand 12473698; 19707367 "Govender S, Csimma C, Genant HK, Valentin-Opran A, Amit Y, Arbel R, Aro H, Atar D, Bishay M, Borner MG, Chiron P, Choong P, Cinats J, Courtenay B, Feibel R, Geulette B, Gravel C, Haas N, Raschke M, Hammacher E, van der Velde D, Hardy P, Holt M, Josten C, Ketterl RL, Lindeque B, Lob G, Mathevon H, McCoy G, Marsh D, Miller R, Munting E, Oevre S, Nordsletten L, Patel A, Pohl A, Rennie W, Reynders P, Rommens PM, Rondia J, Rossouw WC, Daneel PJ, Ruff S, Ruter A, Santavirta S, Schildhauer TA, Gekle C, Schnettler R, Segal D, Seiler H, Snowdowne RB, Stapert J, Taglang G, Verdonk R, Vogels L, Weckbach A, Wentzensen A, Wisniewski T: Recombinant human bone morphogenetic protein-2 for treatment of open tibial fractures: a prospective, controlled, randomized study of four hundred and fifty patients. J Bone Joint Surg Am. 2002 Dec;84-A(12):2123-34.@@Ghodadra N, Singh K: Recombinant human bone morphogenetic protein-2 in the treatment of bone fractures. Biologics. 2008 Sep;2(3):345-54." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Musculo-Skeletal System; Biological Factors; Intercellular Signaling Peptides and Proteins; TGF-beta Superfamily Proteins; Bone Morphogenetic Proteins; Peptides; Proteins; Drugs Affecting Bone Structure and Mineralization; Amino Acids, Peptides, and Proteins; Drugs for Treatment of Bone Diseases" P12643 Bone_morphogenetic_protein_2 DB11639 Dibotermin alfa BE0009272 BMPR1A P36894 BMR1A_HUMAN ligand 11263668; 10692589; 10880444; 10712517 "Nickel J, Dreyer MK, Kirsch T, Sebald W: The crystal structure of the BMP-2:BMPR-IA complex and the generation of BMP-2 antagonists. J Bone Joint Surg Am. 2001;83-A Suppl 1(Pt 1):S7-14.@@Kirsch T, Nickel J, Sebald W: Isolation of recombinant BMP receptor IA ectodomain and its 2:1 complex with BMP-2. FEBS Lett. 2000 Feb 25;468(2-3):215-9.@@Kirsch T, Nickel J, Sebald W: BMP-2 antagonists emerge from alterations in the low-affinity binding epitope for receptor BMPR-II. EMBO J. 2000 Jul 3;19(13):3314-24. doi: 10.1093/emboj/19.13.3314.@@Gilboa L, Nohe A, Geissendorfer T, Sebald W, Henis YI, Knaus P: Bone morphogenetic protein receptor complexes on the surface of live cells: a new oligomerization mode for serine/threonine kinase receptors. Mol Biol Cell. 2000 Mar;11(3):1023-35." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Musculo-Skeletal System; Biological Factors; Intercellular Signaling Peptides and Proteins; TGF-beta Superfamily Proteins; Bone Morphogenetic Proteins; Peptides; Proteins; Drugs Affecting Bone Structure and Mineralization; Amino Acids, Peptides, and Proteins; Drugs for Treatment of Bone Diseases" P12643 Bone_morphogenetic_protein_2 DB11644 Tafamidis BE0000337 TTR P02766 TTHY_HUMAN chaperone 31735731 "Endo J, Sano M, Izumiya Y, Tsujita K, Nakamura K, Tahara N, Kuwahara K, Inomata T, Ueda M, Sekijima Y, Ando Y, Tsutsui H, Isobe M, Fukuda K: A Statement on the Appropriate Administration of Tafamidis in Patients With Transthyretin Cardiac Amyloidosis. Circ J. 2019 Dec 25;84(1):15-17. doi: 10.1253/circj.CJ-19-0811. Epub 2019 Nov 16." Approved; Investigational "Phenyl-1,3-oxazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles "Fused-Ring Compounds; Miscellaneous Cardiac Drugs; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; OAT3/SLC22A8 Inhibitors; Immunologic Factors; Anti-Inflammatory Agents; Nervous System; Transthyretin Stabilizers; OAT1/SLC22A6 inhibitors; Hormones, Hormone Substitutes, and Hormone Antagonists" OC(=O)C1=CC=C2N=C(OC2=C1)C1=CC(Cl)=CC(Cl)=C1 23612 347828016 D09673 Tafamidis CHEMBL2103837 1545063 DB11652 Tucatinib BE0000511 ERBB2 P04626 ERBB2_HUMAN inhibitor 32241871; 29955792 "Kulukian A, Lee P, Taylor J, Rosler R, de Vries P, Watson D, Forero-Torres A, Peterson S: Preclinical Activity of HER2-Selective Tyrosine Kinase Inhibitor Tucatinib as a Single Agent or in Combination with Trastuzumab or Docetaxel in Solid Tumor Models. Mol Cancer Ther. 2020 Apr;19(4):976-987. doi: 10.1158/1535-7163.MCT-19-0873.@@Borges VF, Ferrario C, Aucoin N, Falkson C, Khan Q, Krop I, Welch S, Conlin A, Chaves J, Bedard PL, Chamberlain M, Gray T, Vo A, Hamilton E: Tucatinib Combined With Ado-Trastuzumab Emtansine in Advanced ERBB2/HER2-Positive Metastatic Breast Cancer: A Phase 1b Clinical Trial. JAMA Oncol. 2018 Sep 1;4(9):1214-1220. doi: 10.1001/jamaoncol.2018.1812." Approved; Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "OCT2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; Tyrosine Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; Human epidermal growth factor receptor 2 (HER2) tyrosine kinase inhibitors" CC1=CC(NC2=NC=NC3=CC=C(NC4=NC(C)(C)CO4)C=C23)=CC=C1OC1=CC2=NC=NN2C=C1 23469 347828023 Tucatinib CHEMBL3989868 2361285 DB11653 Bremelanotide BE0002447 MC1R Q01726 MSHR_HUMAN agonist Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Melanocortins; Protein Precursors; Amino Acids, Peptides, and Proteins; Nerve Tissue Proteins; Proteins; Genito Urinary System and Sex Hormones; Hormones; Receptor, Melanocortin, Type 3, agonists; Melanocyte-Stimulating Hormones; Neuropeptides; Peptides; Pro-Opiomelanocortin; Melanocortin Receptor Agonists; Peptide Hormones; Hypothalamic Hormones; Pituitary Hormones, Anterior; Pituitary Hormones; Receptor, Melanocortin, Type 4, agonists; Hormones, Hormone Substitutes, and Hormone Antagonists" 347828024 Bremelanotide CHEMBL2070241 2176312 DB11653 Bremelanotide BE0000848 MC2R Q01718 ACTHR_HUMAN agonist Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Melanocortins; Protein Precursors; Amino Acids, Peptides, and Proteins; Nerve Tissue Proteins; Proteins; Genito Urinary System and Sex Hormones; Hormones; Receptor, Melanocortin, Type 3, agonists; Melanocyte-Stimulating Hormones; Neuropeptides; Peptides; Pro-Opiomelanocortin; Melanocortin Receptor Agonists; Peptide Hormones; Hypothalamic Hormones; Pituitary Hormones, Anterior; Pituitary Hormones; Receptor, Melanocortin, Type 4, agonists; Hormones, Hormone Substitutes, and Hormone Antagonists" 347828024 Bremelanotide CHEMBL2070241 2176312 DB11672 Curcumin BE0000215 PPARG P37231 PPARG_HUMAN 15713005 "Nishiyama T, Mae T, Kishida H, Tsukagawa M, Mimaki Y, Kuroda M, Sashida Y, Takahashi K, Kawada T, Nakagawa K, Kitahara M: Curcuminoids and sesquiterpenoids in turmeric (Curcuma longa L.) suppress an increase in blood glucose level in type 2 diabetic KK-Ay mice. J Agric Food Chem. 2005 Feb 23;53(4):959-63." Approved; Investigational Curcuminoids Organic compounds; Phenylpropanoids and polyketides; Diarylheptanoids; Linear diarylheptanoids "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Benzene Derivatives; Hydrocarbons, Acyclic; Coloring Agents; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Alkanes; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Diarylheptanoids; Compounds used in a research, industrial, or household setting; Heptanes; Catechols; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Antirheumatic Agents" COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O 347828040 Curcumin CHEMBL140 2955 DB11672 Curcumin BE0000779 VDR P11473 VDR_HUMAN 20153625 "Bartik L, Whitfield GK, Kaczmarska M, Lowmiller CL, Moffet EW, Furmick JK, Hernandez Z, Haussler CA, Haussler MR, Jurutka PW: Curcumin: a novel nutritionally derived ligand of the vitamin D receptor with implications for colon cancer chemoprevention. J Nutr Biochem. 2010 Dec;21(12):1153-61. doi: 10.1016/j.jnutbio.2009.09.012. Epub 2010 Feb 12." Approved; Investigational Curcuminoids Organic compounds; Phenylpropanoids and polyketides; Diarylheptanoids; Linear diarylheptanoids "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Benzene Derivatives; Hydrocarbons, Acyclic; Coloring Agents; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Alkanes; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Diarylheptanoids; Compounds used in a research, industrial, or household setting; Heptanes; Catechols; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Antirheumatic Agents" COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O 347828040 Curcumin CHEMBL140 2955 DB11672 Curcumin BE0003639 ABCC5 O15440 MRP5_HUMAN inhibitor 23978416 Prehm P: Curcumin analogue identified as hyaluronan export inhibitor by virtual docking to the ABC transporter MRP5. Food Chem Toxicol. 2013 Dec;62:76-81. doi: 10.1016/j.fct.2013.08.028. Epub 2013 Aug 24. Approved; Investigational Curcuminoids Organic compounds; Phenylpropanoids and polyketides; Diarylheptanoids; Linear diarylheptanoids "Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Benzene Derivatives; Hydrocarbons, Acyclic; Coloring Agents; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Alkanes; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Diarylheptanoids; Compounds used in a research, industrial, or household setting; Heptanes; Catechols; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Antirheumatic Agents" COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O 347828040 Curcumin CHEMBL140 2955 DB11674 Equol BE0000792 ESR2 Q92731 ESR2_HUMAN agonist 15084758; 15883431 "Mueller SO, Simon S, Chae K, Metzler M, Korach KS: Phytoestrogens and their human metabolites show distinct agonistic and antagonistic properties on estrogen receptor alpha (ERalpha) and ERbeta in human cells. Toxicol Sci. 2004 Jul;80(1):14-25. Epub 2004 Apr 14.@@Setchell KD, Clerici C, Lephart ED, Cole SJ, Heenan C, Castellani D, Wolfe BE, Nechemias-Zimmer L, Brown NM, Lund TD, Handa RJ, Heubi JE: S-equol, a potent ligand for estrogen receptor beta, is the exclusive enantiomeric form of the soy isoflavone metabolite produced by human intestinal bacterial flora. Am J Clin Nutr. 2005 May;81(5):1072-9." Investigational Isoflavanols Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavans "Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Isoflavones; Estrogens; Phytoestrogens; Hormones; Estrogens, Non-Steroidal; Flavonoids; Hormones, Hormone Substitutes, and Hormone Antagonists" OC1=CC=C(C=C1)[C@H]1COC2=C(C1)C=CC(O)=C2 347828042 Equol CHEMBL198877 1803717 DB11674 Equol BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Investigational Isoflavanols Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavans "Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Isoflavones; Estrogens; Phytoestrogens; Hormones; Estrogens, Non-Steroidal; Flavonoids; Hormones, Hormone Substitutes, and Hormone Antagonists" OC1=CC=C(C=C1)[C@H]1COC2=C(C1)C=CC(O)=C2 347828042 Equol CHEMBL198877 1803717 DB11679 Fruquintinib BE0000029 FLT1 P17948 VGFR1_HUMAN inhibitor Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C8 Substrates" CNC(=O)C1=C(C)OC2=CC(OC3=NC=NC4=CC(OC)=C(OC)C=C34)=CC=C12 347828047 Fruquintinib CHEMBL4303214 2670179 DB11682 Daprodustat BE0002217 EGLN1 Q9GZT9 EGLN1_HUMAN inhibitor 32880805; 33597868 "Dhillon S: Daprodustat: First Approval. Drugs. 2020 Sep;80(14):1491-1497. doi: 10.1007/s40265-020-01384-y.@@Zheng Q, Wang Y, Yang H, Sun L, Fu X, Wei R, Liu YN, Liu WJ: Efficacy and Safety of Daprodustat for Anemia Therapy in Chronic Kidney Disease Patients: A Systematic Review and Meta-Analysis. Front Pharmacol. 2021 Jan 12;11:573645. doi: 10.3389/fphar.2020.573645. eCollection 2020." Approved; Investigational N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; Hypoxia-inducible Factor Prolyl Hydroxylase Inhibitor; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); BCRP/ABCG2 Substrates; Amino Acids; OATP1B3 inhibitors; Blood and Blood Forming Organs; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Pyrimidinones; Antianemic Preparations; Pyrimidines" OC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O 347828049 PA166280581 Daprodustat CHEMBL3544988 2628210 DB11682 Daprodustat BE0002211 EGLN2 Q96KS0 EGLN2_HUMAN inhibitor 32880805; 33597868 "Dhillon S: Daprodustat: First Approval. Drugs. 2020 Sep;80(14):1491-1497. doi: 10.1007/s40265-020-01384-y.@@Zheng Q, Wang Y, Yang H, Sun L, Fu X, Wei R, Liu YN, Liu WJ: Efficacy and Safety of Daprodustat for Anemia Therapy in Chronic Kidney Disease Patients: A Systematic Review and Meta-Analysis. Front Pharmacol. 2021 Jan 12;11:573645. doi: 10.3389/fphar.2020.573645. eCollection 2020." Approved; Investigational N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; Hypoxia-inducible Factor Prolyl Hydroxylase Inhibitor; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); BCRP/ABCG2 Substrates; Amino Acids; OATP1B3 inhibitors; Blood and Blood Forming Organs; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Pyrimidinones; Antianemic Preparations; Pyrimidines" OC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O 347828049 PA166280581 Daprodustat CHEMBL3544988 2628210 DB11682 Daprodustat BE0002219 EGLN3 Q9H6Z9 EGLN3_HUMAN inhibitor 32880805; 33597868 "Dhillon S: Daprodustat: First Approval. Drugs. 2020 Sep;80(14):1491-1497. doi: 10.1007/s40265-020-01384-y.@@Zheng Q, Wang Y, Yang H, Sun L, Fu X, Wei R, Liu YN, Liu WJ: Efficacy and Safety of Daprodustat for Anemia Therapy in Chronic Kidney Disease Patients: A Systematic Review and Meta-Analysis. Front Pharmacol. 2021 Jan 12;11:573645. doi: 10.3389/fphar.2020.573645. eCollection 2020." Approved; Investigational N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; Hypoxia-inducible Factor Prolyl Hydroxylase Inhibitor; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); BCRP/ABCG2 Substrates; Amino Acids; OATP1B3 inhibitors; Blood and Blood Forming Organs; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Pyrimidinones; Antianemic Preparations; Pyrimidines" OC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O 347828049 PA166280581 Daprodustat CHEMBL3544988 2628210 DB11689 Selumetinib BE0000870 MAP2K1 Q02750 MP2K1_HUMAN inhibitor 17332304; 17699718; 28029918 "Yeh TC, Marsh V, Bernat BA, Ballard J, Colwell H, Evans RJ, Parry J, Smith D, Brandhuber BJ, Gross S, Marlow A, Hurley B, Lyssikatos J, Lee PA, Winkler JD, Koch K, Wallace E: Biological characterization of ARRY-142886 (AZD6244), a potent, highly selective mitogen-activated protein kinase kinase 1/2 inhibitor. Clin Cancer Res. 2007 Mar 1;13(5):1576-83. doi: 10.1158/1078-0432.CCR-06-1150.@@Davies BR, Logie A, McKay JS, Martin P, Steele S, Jenkins R, Cockerill M, Cartlidge S, Smith PD: AZD6244 (ARRY-142886), a potent inhibitor of mitogen-activated protein kinase/extracellular signal-regulated kinase kinase 1/2 kinases: mechanism of action in vivo, pharmacokinetic/pharmacodynamic relationship, and potential for combination in preclinical models. Mol Cancer Ther. 2007 Aug;6(8):2209-19. doi: 10.1158/1535-7163.MCT-07-0231.@@Dombi E, Baldwin A, Marcus LJ, Fisher MJ, Weiss B, Kim A, Whitcomb P, Martin S, Aschbacher-Smith LE, Rizvi TA, Wu J, Ershler R, Wolters P, Therrien J, Glod J, Belasco JB, Schorry E, Brofferio A, Starosta AJ, Gillespie A, Doyle AL, Ratner N, Widemann BC: Activity of Selumetinib in Neurofibromatosis Type 1-Related Plexiform Neurofibromas. N Engl J Med. 2016 Dec 29;375(26):2550-2560. doi: 10.1056/NEJMoa1605943." Approved; Investigational Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles "Cytochrome P-450 CYP3A Substrates; Mitogen-Activated Protein Kinase Kinase 2 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Kinase Inhibitor; Mitogen-activated protein kinase (MEK) inhibitors; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Mitogen-Activated Protein Kinase Kinase 1 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP1A2 Substrates" CN1C=NC2=C(F)C(NC3=C(Cl)C=C(Br)C=C3)=C(C=C12)C(=O)NOCCO 23774 347828055 D09666 PA166129529 Selumetinib CHEMBL1614701 2289380 DB11689 Selumetinib BE0004744 MAP2K2 P36507 MP2K2_HUMAN inhibitor 17332304; 17699718; 28029918 "Yeh TC, Marsh V, Bernat BA, Ballard J, Colwell H, Evans RJ, Parry J, Smith D, Brandhuber BJ, Gross S, Marlow A, Hurley B, Lyssikatos J, Lee PA, Winkler JD, Koch K, Wallace E: Biological characterization of ARRY-142886 (AZD6244), a potent, highly selective mitogen-activated protein kinase kinase 1/2 inhibitor. Clin Cancer Res. 2007 Mar 1;13(5):1576-83. doi: 10.1158/1078-0432.CCR-06-1150.@@Davies BR, Logie A, McKay JS, Martin P, Steele S, Jenkins R, Cockerill M, Cartlidge S, Smith PD: AZD6244 (ARRY-142886), a potent inhibitor of mitogen-activated protein kinase/extracellular signal-regulated kinase kinase 1/2 kinases: mechanism of action in vivo, pharmacokinetic/pharmacodynamic relationship, and potential for combination in preclinical models. Mol Cancer Ther. 2007 Aug;6(8):2209-19. doi: 10.1158/1535-7163.MCT-07-0231.@@Dombi E, Baldwin A, Marcus LJ, Fisher MJ, Weiss B, Kim A, Whitcomb P, Martin S, Aschbacher-Smith LE, Rizvi TA, Wu J, Ershler R, Wolters P, Therrien J, Glod J, Belasco JB, Schorry E, Brofferio A, Starosta AJ, Gillespie A, Doyle AL, Ratner N, Widemann BC: Activity of Selumetinib in Neurofibromatosis Type 1-Related Plexiform Neurofibromas. N Engl J Med. 2016 Dec 29;375(26):2550-2560. doi: 10.1056/NEJMoa1605943." Approved; Investigational Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles "Cytochrome P-450 CYP3A Substrates; Mitogen-Activated Protein Kinase Kinase 2 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Kinase Inhibitor; Mitogen-activated protein kinase (MEK) inhibitors; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Mitogen-Activated Protein Kinase Kinase 1 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP1A2 Substrates" CN1C=NC2=C(F)C(NC3=C(Cl)C=C(Br)C=C3)=C(C=C12)C(=O)NOCCO 23774 347828055 D09666 PA166129529 Selumetinib CHEMBL1614701 2289380 DB11691 Naldemedine BE0000770 OPRM1 P35372 OPRM_HUMAN antagonist Approved; Investigational Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; UGT1A3 substrates; Alkaloids; Peripheral Opioid Receptor Antagonists; Opioid Antagonists; Drugs that are Mainly Renally Excreted; Opiate Alkaloids; Alimentary Tract and Metabolism; Drugs for Constipation" [H][C@@]12OC3=C4C(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C1=NC(=NO1)C1=CC=CC=C1)=C2O)=CC=C3O 347828056 Naldemedine CHEMBL2105755 1876597 DB11691 Naldemedine BE0000420 OPRD1 P41143 OPRD_HUMAN antagonist Approved; Investigational Morphinans Organic compounds; Alkaloids and derivatives; Morphinans "Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; UGT1A3 substrates; Alkaloids; Peripheral Opioid Receptor Antagonists; Opioid Antagonists; Drugs that are Mainly Renally Excreted; Opiate Alkaloids; Alimentary Tract and Metabolism; Drugs for Constipation" [H][C@@]12OC3=C4C(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C1=NC(=NO1)C1=CC=CC=C1)=C2O)=CC=C3O 347828056 Naldemedine CHEMBL2105755 1876597 DB11692 Pavinetant BE0002371 TACR3 P29371 NK3R_HUMAN antagonist 24525659 "Litman RE, Smith MA, Desai DG, Simpson T, Sweitzer D, Kanes SJ: The selective neurokinin 3 antagonist AZD2624 does not improve symptoms or cognition in schizophrenia: a proof-of-principle study. J Clin Psychopharmacol. 2014 Apr;34(2):199-204. doi: 10.1097/JCP.0000000000000071." Investigational Phenylquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines "Receptors, Neurokinin-3, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfur Compounds; Amides; Quinolines" CC[C@H](NC(=O)C1=C(NS(C)(=O)=O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1 347828057 Pavinetant CHEMBL3545233 DB11693 Voclosporin BE0000358 PPP3R1 P63098 CANB1_HUMAN inhibitor Approved; Investigational Cyclosporins Organic compounds; Organic acids and derivatives; Peptidomimetics; Peptoid-peptide hybrids "Calcineurin Inhibitor Immunosuppressant; Peptides, Cyclic; Cytochrome P-450 CYP3A Substrates; Amino Acids, Peptides, and Proteins; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peptides; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Calcineurin Inhibitors; Cyclosporins" [H][C@@]1([C@H](O)[C@H](C)C\C=C\C=C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C 347828058 Voclosporin DB11697 Pacritinib BE0002408 JAK2 O60674 JAK2_HUMAN inhibitor Approved; Investigational Phenol ethers Organic compounds; Benzenoids; Phenol ethers "Janus Kinases, antagonists & inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Janus Kinase 2, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Janus Kinase Inhibitor; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; OCT1 inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" C(CN1CCCC1)OC1=CC=C2NC3=NC=CC(=N3)C3=CC(COC\C=C\COCC1=C2)=CC=C3 347828062 Pacritinib CHEMBL2035187 2595243 DB11703 Acalabrutinib BE0001284 BTK Q06187 BTK_HUMAN inhibitor 31028669; 32736596; 31591468; 33689480; 34209188 "Bond DA, Woyach JA: Targeting BTK in CLL: Beyond Ibrutinib. Curr Hematol Malig Rep. 2019 Jun;14(3):197-205. doi: 10.1007/s11899-019-00512-0.@@Wilkinson T, Dixon R, Page C, Carroll M, Griffiths G, Ho LP, De Soyza A, Felton T, Lewis KE, Phekoo K, Chalmers JD, Gordon A, McGarvey L, Doherty J, Read RC, Shankar-Hari M, Martinez-Alier N, O'Kelly M, Duncan G, Walles R, Sykes J, Summers C, Singh D: ACCORD: A Multicentre, Seamless, Phase 2 Adaptive Randomisation Platform Study to Assess the Efficacy and Safety of Multiple Candidate Agents for the Treatment of COVID-19 in Hospitalised Patients: A structured summary of a study protocol for a randomised controlled trial. Trials. 2020 Jul 31;21(1):691. doi: 10.1186/s13063-020-04584-9.@@Castillo JJ, Treon SP: What is new in the treatment of Waldenstrom macroglobulinemia? Leukemia. 2019 Nov;33(11):2555-2562. doi: 10.1038/s41375-019-0592-8. Epub 2019 Oct 7.@@Zheng TJ, Lofurno ER, Melrose AR, Lakshmanan HHS, Pang J, Phillips KG, Fallon ME, Kohs TCL, Ngo ATP, Shatzel JJ, Hinds MT, McCarty OJT, Aslan JE: Assessment of the effects of Syk and BTK inhibitors on GPVI-mediated platelet signaling and function. Am J Physiol Cell Physiol. 2021 May 1;320(5):C902-C915. doi: 10.1152/ajpcell.00296.2020. Epub 2021 Mar 10.@@Kaliamurthi S, Selvaraj G, Selvaraj C, Singh SK, Wei DQ, Peslherbe GH: Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19. Int J Mol Sci. 2021 Jun 30;22(13). pii: ijms22137071. doi: 10.3390/ijms22137071." Approved; Investigational Phenylimidazoles Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles "Enzyme Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Bruton's tyrosine kinase (BTK) inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; Acids, Carbocyclic; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs" CC#CC(=O)N1CCC[C@H]1C1=NC(=C2N1C=CN=C2N)C1=CC=C(C=C1)C(=O)NC1=CC=CC=N1 23350 347828068 Acalabrutinib CHEMBL3707348 1986808 DB11712 Tezacaftor BE0001195 CFTR P13569 CFTR_HUMAN positive allosteric modulator 28930490; 29099344; 27714410 "Donaldson SH, Pilewski JM, Griese M, Cooke J, Viswanathan L, Tullis E, Davies JC, Lekstrom-Himes JA, Wang LT: Tezacaftor/Ivacaftor in Subjects with Cystic Fibrosis and F508del/F508del-CFTR or F508del/G551D-CFTR. Am J Respir Crit Care Med. 2018 Jan 15;197(2):214-224. doi: 10.1164/rccm.201704-0717OC.@@Taylor-Cousar JL, Munck A, McKone EF, van der Ent CK, Moeller A, Simard C, Wang LT, Ingenito EP, McKee C, Lu Y, Lekstrom-Himes J, Elborn JS: Tezacaftor-Ivacaftor in Patients with Cystic Fibrosis Homozygous for Phe508del. N Engl J Med. 2017 Nov 23;377(21):2013-2023. doi: 10.1056/NEJMoa1709846. Epub 2017 Nov 3.@@Saint-Criq V, Gray MA: Role of CFTR in epithelial physiology. Cell Mol Life Sci. 2017 Jan;74(1):93-115. doi: 10.1007/s00018-016-2391-y. Epub 2016 Oct 6." Approved; Investigational N-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Dioxoles; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CC(C)(CO)C1=CC2=CC(NC(=O)C3(CC3)C3=CC=C4OC(F)(F)OC4=C3)=C(F)C=C2N1C[C@@H](O)CO 22963 347828077 D11041 Tezacaftor CHEMBL3544914 1999382 DB11714 Durvalumab BE0003441 CD274 Q9NZQ7 PD1L1_HUMAN inhibitor 28214651; 29416316; 28717238; 33807678 "Bellmunt J, Powles T, Vogelzang NJ: A review on the evolution of PD-1/PD-L1 immunotherapy for bladder cancer: The future is now. Cancer Treat Rev. 2017 Mar;54:58-67. doi: 10.1016/j.ctrv.2017.01.007. Epub 2017 Feb 2.@@Faiena I, Cummings AL, Crosetti AM, Pantuck AJ, Chamie K, Drakaki A: Durvalumab: an investigational anti-PD-L1 monoclonal antibody for the treatment of urothelial carcinoma. Drug Des Devel Ther. 2018 Jan 23;12:209-215. doi: 10.2147/DDDT.S141491. eCollection 2018.@@Lee HT, Lee JY, Lim H, Lee SH, Moon YJ, Pyo HJ, Ryu SE, Shin W, Heo YS: Molecular mechanism of PD-1/PD-L1 blockade via anti-PD-L1 antibodies atezolizumab and durvalumab. Sci Rep. 2017 Jul 17;7(1):5532. doi: 10.1038/s41598-017-06002-8.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Globulins; Amino Acids, Peptides, and Proteins; PD-1/PDL-1 (Programmed cell death protein 1/death ligand 1) inhibitors; Antibodies; Immunotherapy; Programmed Death Ligand-1 Antagonists; Proteins; Antineoplastic Agents; Immunoglobulins; Antibiotics, Antineoplastic; Immune Checkpoint Inhibitors; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Programmed Death Ligand-1 Blocker; Antineoplastic and Immunomodulating Agents; Programmed Death Ligand-1-directed Antibody Interactions; Narrow Therapeutic Index Drugs; Blood Proteins" 22909 347911229 D10808 Durvalumab 1919503 DB11718 Encorafenib BE0000634 BRAF P15056 BRAF_HUMAN inhibitor 26586345; 29356698; 25769717 "Li Z, Jiang K, Zhu X, Lin G, Song F, Zhao Y, Piao Y, Liu J, Cheng W, Bi X, Gong P, Song Z, Meng S: Encorafenib (LGX818), a potent BRAF inhibitor, induces senescence accompanied by autophagy in BRAFV600E melanoma cells. Cancer Lett. 2016 Jan 28;370(2):332-44. doi: 10.1016/j.canlet.2015.11.015. Epub 2015 Nov 14.@@Koelblinger P, Thuerigen O, Dummer R: Development of encorafenib for BRAF-mutated advanced melanoma. Curr Opin Oncol. 2018 Mar;30(2):125-133. doi: 10.1097/CCO.0000000000000426.@@Moschos SJ, Pinnamaneni R: Targeted therapies in melanoma. Surg Oncol Clin N Am. 2015 Apr;24(2):347-58. doi: 10.1016/j.soc.2014.12.011. Epub 2015 Jan 24." Approved; Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C 23572 347828081 PA166179872 Encorafenib CHEMBL3301612 2049106 DB11718 Encorafenib BE0000036 RAF1 P04049 RAF1_HUMAN inhibitor Approved; Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C 23572 347828081 PA166179872 Encorafenib CHEMBL3301612 2049106 DB11718 Encorafenib BE0003790 MAPK8 P45983 MK08_HUMAN inhibitor Approved; Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C 23572 347828081 PA166179872 Encorafenib CHEMBL3301612 2049106 DB11718 Encorafenib BE0003772 MAPK9 P45984 MK09_HUMAN inhibitor Approved; Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C 23572 347828081 PA166179872 Encorafenib CHEMBL3301612 2049106 DB11718 Encorafenib BE0001097 MAPK10 P53779 MK10_HUMAN inhibitor Approved; Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C 23572 347828081 PA166179872 Encorafenib CHEMBL3301612 2049106 DB11718 Encorafenib BE0004759 LIMK1 P53667 LIMK1_HUMAN inhibitor Approved; Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C 23572 347828081 PA166179872 Encorafenib CHEMBL3301612 2049106 DB11718 Encorafenib BE0009456 LIMK2 P53671 LIMK2_HUMAN inhibitor Approved; Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C 23572 347828081 PA166179872 Encorafenib CHEMBL3301612 2049106 DB11718 Encorafenib BE0010122 MAP2K4 P45985 MP2K4_HUMAN inhibitor Approved; Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C 23572 347828081 PA166179872 Encorafenib CHEMBL3301612 2049106 DB11718 Encorafenib BE0009388 STK36 Q9NRP7 STK36_HUMAN inhibitor Approved; Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C 23572 347828081 PA166179872 Encorafenib CHEMBL3301612 2049106 DB11730 Ribociclib BE0002212 CDK6 Q00534 CDK6_HUMAN antagonist 24045179 "Rader J, Russell MR, Hart LS, Nakazawa MS, Belcastro LT, Martinez D, Li Y, Carpenter EL, Attiyeh EF, Diskin SJ, Kim S, Parasuraman S, Caponigro G, Schnepp RW, Wood AC, Pawel B, Cole KA, Maris JM: Dual CDK4/CDK6 inhibition induces cell-cycle arrest and senescence in neuroblastoma. Clin Cancer Res. 2013 Nov 15;19(22):6173-82. doi: 10.1158/1078-0432.CCR-13-1675. Epub 2013 Sep 17." Approved; Investigational Pyridinylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "QTc Prolonging Agents; Amines; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Cyclin-dependent kinase (CDK) inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(C=N3)N3CCNCC3)N=C2N1C1CCCC1 22938 347828089 D10883 PA166153470 Ribociclib CHEMBL3545110 1873916 DB11731 Depatuxizumab mafodotin BE0000767 EGFR P00533 EGFR_HUMAN antibody 26846818 "Phillips AC, Boghaert ER, Vaidya KS, Mitten MJ, Norvell S, Falls HD, DeVries PJ, Cheng D, Meulbroek JA, Buchanan FG, McKay LM, Goodwin NC, Reilly EB: ABT-414, an Antibody-Drug Conjugate Targeting a Tumor-Selective EGFR Epitope. Mol Cancer Ther. 2016 Apr;15(4):661-9. doi: 10.1158/1535-7163.MCT-15-0901. Epub 2016 Feb 4." Investigational "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunologic Factors; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 347828090 Depatuxizumab_mafodotin DB11737 Icotinib BE0000767 EGFR P00533 EGFR_HUMAN antagonist Experimental; Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Cytochrome P-450 CYP3A Substrates; Ethers; Cytochrome P-450 CYP3A5 Inducers (weak); Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Antineoplastic Agents; Ethers, Cyclic; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A5 Inducers (moderate); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Crown Compounds; Antineoplastic and Immunomodulating Agents; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates" C#CC1=CC=CC(NC2=NC=NC3=CC4=C(OCCOCCOCCO4)C=C23)=C1 347828095 PA166114460 Icotinib CHEMBL2087361 DB11740 Adavosertib BE0003335 WEE1 P30291 WEE1_HUMAN inhibitor 19887545 "Hirai H, Iwasawa Y, Okada M, Arai T, Nishibata T, Kobayashi M, Kimura T, Kaneko N, Ohtani J, Yamanaka K, Itadani H, Takahashi-Suzuki I, Fukasawa K, Oki H, Nambu T, Jiang J, Sakai T, Arakawa H, Sakamoto T, Sagara T, Yoshizumi T, Mizuarai S, Kotani H: Small-molecule inhibition of Wee1 kinase by MK-1775 selectively sensitizes p53-deficient tumor cells to DNA-damaging agents. Mol Cancer Ther. 2009 Nov;8(11):2992-3000. doi: 10.1158/1535-7163.MCT-09-0463. Epub 2009 Nov 3." Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Enzyme Inhibitors; Pyrimidines CN1CCN(CC1)C1=CC=C(NC2=NC=C3C(=O)N(CC=C)N(C3=N2)C2=NC(=CC=C2)C(C)(C)O)C=C1 347828098 Adavosertib CHEMBL1976040 DB11745 Otenabant BE0000061 CNR1 P21554 CNR1_HUMAN Investigational Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Receptor, Cannabinoid, CB1, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Cannabinoids and similars; Cannabinoid Receptor Antagonists" CCNC1(CCN(CC1)C1=C2N=C(N(C2=NC=N1)C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl)C(N)=O 347828103 Otenabant CHEMBL562668 DB11752 Bryostatin 1 BE0001132 PRKCA P17252 KPCA_HUMAN activator 29693282 "Khan TK, Nelson TJ: Protein kinase C activator bryostatin-1 modulates proteasome function. J Cell Biochem. 2018 Aug;119(8):6894-6904. doi: 10.1002/jcb.26887. Epub 2018 Apr 25." Investigational "Polyether Polyketides; Anti-Bacterial Agents; Adjuvants, Immunologic; Ethers; Marine Toxins; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Polyether Toxins; Cytochrome P-450 CYP3A Inhibitors; Toxins, Biological; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ethers, Cyclic; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lactones; Enzyme Activation" [H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@]3([H])C\C(C[C@@]([H])(O3)\C=C\C(C)(C)[C@]3(O)O[C@@]([H])(C\C(=C/C(=O)OC)[C@@H]3OC(=O)\C=C\C=C\CCC)C[C@@]([H])(OC(=O)C[C@H](O)C1)[C@@H](C)O)=C\C(=O)OC)O2 347828109 Bryostatin CHEMBL449158 DB11752 Bryostatin 1 BE0003431 PRKCE Q02156 KPCE_HUMAN activator 29693282 "Khan TK, Nelson TJ: Protein kinase C activator bryostatin-1 modulates proteasome function. J Cell Biochem. 2018 Aug;119(8):6894-6904. doi: 10.1002/jcb.26887. Epub 2018 Apr 25." Investigational "Polyether Polyketides; Anti-Bacterial Agents; Adjuvants, Immunologic; Ethers; Marine Toxins; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Polyether Toxins; Cytochrome P-450 CYP3A Inhibitors; Toxins, Biological; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ethers, Cyclic; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lactones; Enzyme Activation" [H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@]3([H])C\C(C[C@@]([H])(O3)\C=C\C(C)(C)[C@]3(O)O[C@@]([H])(C\C(=C/C(=O)OC)[C@@H]3OC(=O)\C=C\C=C\CCC)C[C@@]([H])(OC(=O)C[C@H](O)C1)[C@@H](C)O)=C\C(=O)OC)O2 347828109 Bryostatin CHEMBL449158 DB11752 Bryostatin 1 BE0003460 CASP8 Q14790 CASP8_HUMAN inhibitor 29693282 "Khan TK, Nelson TJ: Protein kinase C activator bryostatin-1 modulates proteasome function. J Cell Biochem. 2018 Aug;119(8):6894-6904. doi: 10.1002/jcb.26887. Epub 2018 Apr 25." Investigational "Polyether Polyketides; Anti-Bacterial Agents; Adjuvants, Immunologic; Ethers; Marine Toxins; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Polyether Toxins; Cytochrome P-450 CYP3A Inhibitors; Toxins, Biological; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ethers, Cyclic; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lactones; Enzyme Activation" [H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@]3([H])C\C(C[C@@]([H])(O3)\C=C\C(C)(C)[C@]3(O)O[C@@]([H])(C\C(=C/C(=O)OC)[C@@H]3OC(=O)\C=C\C=C\CCC)C[C@@]([H])(OC(=O)C[C@H](O)C1)[C@@H](C)O)=C\C(=O)OC)O2 347828109 Bryostatin CHEMBL449158 DB11752 Bryostatin 1 BE0009525 PRKD1 Q15139 KPCD1_HUMAN activator 18765827 "Jaggi M, Chauhan SC, Du C, Balaji KC: Bryostatin 1 modulates beta-catenin subcellular localization and transcription activity through protein kinase D1 activation. Mol Cancer Ther. 2008 Sep;7(9):2703-12. doi: 10.1158/1535-7163.MCT-08-0119. Epub 2008 Sep 2." Investigational "Polyether Polyketides; Anti-Bacterial Agents; Adjuvants, Immunologic; Ethers; Marine Toxins; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Polyether Toxins; Cytochrome P-450 CYP3A Inhibitors; Toxins, Biological; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ethers, Cyclic; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lactones; Enzyme Activation" [H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@]3([H])C\C(C[C@@]([H])(O3)\C=C\C(C)(C)[C@]3(O)O[C@@]([H])(C\C(=C/C(=O)OC)[C@@H]3OC(=O)\C=C\C=C\CCC)C[C@@]([H])(OC(=O)C[C@H](O)C1)[C@@H](C)O)=C\C(=O)OC)O2 347828109 Bryostatin CHEMBL449158 DB11755 Tetrahydrocannabivarin BE0000061 CNR1 P21554 CNR1_HUMAN antagonist 28120232 "Morales P, Hurst DP, Reggio PH: Molecular Targets of the Phytocannabinoids: A Complex Picture. Prog Chem Org Nat Prod. 2017;103:103-131. doi: 10.1007/978-3-319-45541-9_4." Investigational "2,2-dimethyl-1-benzopyrans" Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans Serotonin Agents; Central Nervous System Depressants; Serotonin Receptor Agonists; Agents that produce hypertension; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents CCCC1=CC(O)=C2[C@@H]3C=C(C)CC[C@H]3C(C)(C)OC2=C1 347828110 Tetrahydrocannabivarin CHEMBL2387541 DB11755 Tetrahydrocannabivarin BE0009158 TRPV2 Q9Y5S1 TRPV2_HUMAN agonist 28120232 "Morales P, Hurst DP, Reggio PH: Molecular Targets of the Phytocannabinoids: A Complex Picture. Prog Chem Org Nat Prod. 2017;103:103-131. doi: 10.1007/978-3-319-45541-9_4." Investigational "2,2-dimethyl-1-benzopyrans" Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans Serotonin Agents; Central Nervous System Depressants; Serotonin Receptor Agonists; Agents that produce hypertension; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents CCCC1=CC(O)=C2[C@@H]3C=C(C)CC[C@H]3C(C)(C)OC2=C1 347828110 Tetrahydrocannabivarin CHEMBL2387541 DB11755 Tetrahydrocannabivarin BE0001186 TRPM8 Q7Z2W7 TRPM8_HUMAN antagonist 28120232 "Morales P, Hurst DP, Reggio PH: Molecular Targets of the Phytocannabinoids: A Complex Picture. Prog Chem Org Nat Prod. 2017;103:103-131. doi: 10.1007/978-3-319-45541-9_4." Investigational "2,2-dimethyl-1-benzopyrans" Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans Serotonin Agents; Central Nervous System Depressants; Serotonin Receptor Agonists; Agents that produce hypertension; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents CCCC1=CC(O)=C2[C@@H]3C=C(C)CC[C@H]3C(C)(C)OC2=C1 347828110 Tetrahydrocannabivarin CHEMBL2387541 DB11755 Tetrahydrocannabivarin BE0001122 TRPA1 O75762 TRPA1_HUMAN agonist 28120232 "Morales P, Hurst DP, Reggio PH: Molecular Targets of the Phytocannabinoids: A Complex Picture. Prog Chem Org Nat Prod. 2017;103:103-131. doi: 10.1007/978-3-319-45541-9_4." Investigational "2,2-dimethyl-1-benzopyrans" Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans Serotonin Agents; Central Nervous System Depressants; Serotonin Receptor Agonists; Agents that produce hypertension; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents CCCC1=CC(O)=C2[C@@H]3C=C(C)CC[C@H]3C(C)(C)OC2=C1 347828110 Tetrahydrocannabivarin CHEMBL2387541 DB11757 Istradefylline BE0000924 ADORA2A P29274 AA2AR_HUMAN antagonist 28881378; 23700273 "Mukai M, Uchimura T, Zhang X, Greene D, Vergeire M, Cantillon M: Effects of Rifampin on the Pharmacokinetics of a Single Dose of Istradefylline in Healthy Subjects. J Clin Pharmacol. 2018 Feb;58(2):193-201. doi: 10.1002/jcph.1003. Epub 2017 Sep 7.@@Dungo R, Deeks ED: Istradefylline: first global approval. Drugs. 2013 Jun;73(8):875-82. doi: 10.1007/s40265-013-0066-7." Approved; Investigational Xanthines Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Purinergic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Purinergic P1 Receptor Antagonists; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; MATE 2 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Adenosine A2 Receptor Antagonists; Purinergic Antagonists" [H]\C(=C(\[H])C1=CC(OC)=C(OC)C=C1)C1=NC2=C(N1C)C(=O)N(CC)C(=O)N2CC 347828111 Istradefylline CHEMBL431770 2199015 DB11758 Cenicriviroc BE0003387 CCR2 P41597 CCR2_HUMAN inhibitor 33849361 "Fiorucci S, Biagioli M, Baldoni M, Ricci P, Sepe V, Zampella A, Distrutti E: The identification of farnesoid X receptor modulators as treatment options for nonalcoholic fatty liver disease. Expert Opin Drug Discov. 2021 Oct;16(10):1193-1208. doi: 10.1080/17460441.2021.1916465. Epub 2021 May 5." Investigational Benzazocines Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzazocines "Anti-Infective Agents; Antiviral Agents; Anti-HIV Agents; Receptors, CCR2, antagonists & inhibitors; Sulfur Compounds; Anti-Retroviral Agents; CCR5 Receptor Antagonists" CCCCOCCOC1=CC=C(C=C1)C1=CC2=C(C=C1)N(CC(C)C)CCC\C(=C/2)C(=O)NC1=CC=C(C=C1)[S@@](=O)CC1=CN=CN1CCC 347828112 Cenicriviroc CHEMBL2110727 DB11760 Talazoparib BE0001717 PARP1 P09874 PARP1_HUMAN inhibitor 26652717 "Wang B, Chu D, Feng Y, Shen Y, Aoyagi-Scharber M, Post LE: Discovery and Characterization of (8S,9R)-5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-te trahydro-3H-pyrido[4,3,2-de]phthalazin-3-one (BMN 673, Talazoparib), a Novel, Highly Potent, and Orally Efficacious Poly(ADP-ribose) Polymerase-1/2 Inhibitor, as an Anticancer Agent. J Med Chem. 2016 Jan 14;59(1):335-57. doi: 10.1021/acs.jmedchem.5b01498. Epub 2015 Dec 23." Approved; Investigational Phenylquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines BCRP/ABCG2 Substrates; Pyridazines; Antineoplastic and Immunomodulating Agents; Enzyme Inhibitors; Poly(ADP-ribose) Polymerase Inhibitors; Narrow Therapeutic Index Drugs; P-glycoprotein substrates with a Narrow Therapeutic Index; Poly (ADP-ribose) polymerase (PARP) inhibitors; P-glycoprotein substrates; Antineoplastic Agents CN1N=CN=C1[C@@H]1[C@H](NC2=C3C1=NNC(=O)C3=CC(F)=C2)C1=CC=C(F)C=C1 23356 347828114 Talazoparib CHEMBL3137320 2099704 DB11760 Talazoparib BE0003798 PARP2 Q9UGN5 PARP2_HUMAN inhibitor 26652717 "Wang B, Chu D, Feng Y, Shen Y, Aoyagi-Scharber M, Post LE: Discovery and Characterization of (8S,9R)-5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-te trahydro-3H-pyrido[4,3,2-de]phthalazin-3-one (BMN 673, Talazoparib), a Novel, Highly Potent, and Orally Efficacious Poly(ADP-ribose) Polymerase-1/2 Inhibitor, as an Anticancer Agent. J Med Chem. 2016 Jan 14;59(1):335-57. doi: 10.1021/acs.jmedchem.5b01498. Epub 2015 Dec 23." Approved; Investigational Phenylquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines BCRP/ABCG2 Substrates; Pyridazines; Antineoplastic and Immunomodulating Agents; Enzyme Inhibitors; Poly(ADP-ribose) Polymerase Inhibitors; Narrow Therapeutic Index Drugs; P-glycoprotein substrates with a Narrow Therapeutic Index; Poly (ADP-ribose) polymerase (PARP) inhibitors; P-glycoprotein substrates; Antineoplastic Agents CN1N=CN=C1[C@@H]1[C@H](NC2=C3C1=NNC(=O)C3=CC(F)=C2)C1=CC=C(F)C=C1 23356 347828114 Talazoparib CHEMBL3137320 2099704 DB11761 Tenapanor BE0009757 SLC9A3 P48764 SL9A3_HUMAN inhibitor Approved; Investigational 4-phenyltetrahydroisoquinolines Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 4-phenyltetrahydroisoquinolines "Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Sodium-Hydrogen Exchanger 3 Inhibitor; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates; Sodium/Hydrogen Exchanger 3 (NHE3) Inhibitors; Alimentary Tract and Metabolism; Drugs for Constipation" CN1C[C@@H](C2=CC(=CC=C2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)C2=CC(=CC=C2)[C@@H]2CN(C)CC3=C2C=C(Cl)C=C3Cl)C2=C(C1)C(Cl)=CC(Cl)=C2 23443 347828115 Tenapanor CHEMBL3304485 2199674 DB11763 Momelotinib BE0004145 JAK1 P23458 JAK1_HUMAN inhibitor 31450973 "Xu L, Feng J, Gao G, Tang H: Momelotinib for the treatment of myelofibrosis. Expert Opin Pharmacother. 2019 Nov;20(16):1943-1951. doi: 10.1080/14656566.2019.1657093. Epub 2019 Aug 26." Approved; Investigational Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Cytochrome P-450 CYP2B6 Inhibitors; UGT1A1 Inducers; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2B6 Inhibitors (weak); Acids, Carbocyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP1A2 Substrates" O=C(NCC#N)C1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1 347828117 Momelotinib CHEMBL1078178 2665204 DB11763 Momelotinib BE0002408 JAK2 O60674 JAK2_HUMAN inhibitor 31450973 "Xu L, Feng J, Gao G, Tang H: Momelotinib for the treatment of myelofibrosis. Expert Opin Pharmacother. 2019 Nov;20(16):1943-1951. doi: 10.1080/14656566.2019.1657093. Epub 2019 Aug 26." Approved; Investigational Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Cytochrome P-450 CYP2B6 Inhibitors; UGT1A1 Inducers; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2B6 Inhibitors (weak); Acids, Carbocyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP1A2 Substrates" O=C(NCC#N)C1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1 347828117 Momelotinib CHEMBL1078178 2665204 DB11763 Momelotinib BE0003493 JAK3 P52333 JAK3_HUMAN inhibitor 31450973 "Xu L, Feng J, Gao G, Tang H: Momelotinib for the treatment of myelofibrosis. Expert Opin Pharmacother. 2019 Nov;20(16):1943-1951. doi: 10.1080/14656566.2019.1657093. Epub 2019 Aug 26." Approved; Investigational Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Cytochrome P-450 CYP2B6 Inhibitors; UGT1A1 Inducers; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2B6 Inhibitors (weak); Acids, Carbocyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP1A2 Substrates" O=C(NCC#N)C1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1 347828117 Momelotinib CHEMBL1078178 2665204 DB11763 Momelotinib BE0004146 TYK2 P29597 TYK2_HUMAN inhibitor 31450973 "Xu L, Feng J, Gao G, Tang H: Momelotinib for the treatment of myelofibrosis. Expert Opin Pharmacother. 2019 Nov;20(16):1943-1951. doi: 10.1080/14656566.2019.1657093. Epub 2019 Aug 26." Approved; Investigational Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Cytochrome P-450 CYP2B6 Inhibitors; UGT1A1 Inducers; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2B6 Inhibitors (weak); Acids, Carbocyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP1A2 Substrates" O=C(NCC#N)C1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1 347828117 Momelotinib CHEMBL1078178 2665204 DB11763 Momelotinib BE0000264 ACVR1 Q04771 ACVR1_HUMAN inhibitor 31450973 "Xu L, Feng J, Gao G, Tang H: Momelotinib for the treatment of myelofibrosis. Expert Opin Pharmacother. 2019 Nov;20(16):1943-1951. doi: 10.1080/14656566.2019.1657093. Epub 2019 Aug 26." Approved; Investigational Phenylpyrimidines Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives "Cytochrome P-450 CYP2B6 Inhibitors; UGT1A1 Inducers; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2B6 Inhibitors (weak); Acids, Carbocyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP1A2 Substrates" O=C(NCC#N)C1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1 347828117 Momelotinib CHEMBL1078178 2665204 DB11764 Spebrutinib BE0001284 BTK Q06187 BTK_HUMAN inhibitor 33689480; 34209188 "Zheng TJ, Lofurno ER, Melrose AR, Lakshmanan HHS, Pang J, Phillips KG, Fallon ME, Kohs TCL, Ngo ATP, Shatzel JJ, Hinds MT, McCarty OJT, Aslan JE: Assessment of the effects of Syk and BTK inhibitors on GPVI-mediated platelet signaling and function. Am J Physiol Cell Physiol. 2021 May 1;320(5):C902-C915. doi: 10.1152/ajpcell.00296.2020. Epub 2021 Mar 10.@@Kaliamurthi S, Selvaraj G, Selvaraj C, Singh SK, Wei DQ, Peslherbe GH: Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19. Int J Mol Sci. 2021 Jun 30;22(13). pii: ijms22137071. doi: 10.3390/ijms22137071." Investigational Anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "Acrylates; Enzyme Inhibitors; Acids, Acyclic; Amides; Protein Kinase Inhibitors" COCCOC1=CC=C(NC2=NC=C(F)C(NC3=CC=CC(NC(=O)C=C)=C3)=N2)C=C1 347828118 CHEMBL3301625 DB11767 Sarilumab BE0002859 IL6R P08887 IL6RA_HUMAN antagonist 24297381; 27464017; 28264816; 28707587; 26392750 "Huizinga TW, Fleischmann RM, Jasson M, Radin AR, van Adelsberg J, Fiore S, Huang X, Yancopoulos GD, Stahl N, Genovese MC: Sarilumab, a fully human monoclonal antibody against IL-6Ralpha in patients with rheumatoid arthritis and an inadequate response to methotrexate: efficacy and safety results from the randomised SARIL-RA-MOBILITY Part A trial. Ann Rheum Dis. 2014 Sep;73(9):1626-34. doi: 10.1136/annrheumdis-2013-204405. Epub 2013 Dec 2.@@June RR, Olsen NJ: Room for more IL-6 blockade? Sarilumab for the treatment of rheumatoid arthritis. Expert Opin Biol Ther. 2016 Oct;16(10):1303-9. doi: 10.1080/14712598.2016.1217988. Epub 2016 Aug 8.@@Smolen JS, Landewe R, Bijlsma J, Burmester G, Chatzidionysiou K, Dougados M, Nam J, Ramiro S, Voshaar M, van Vollenhoven R, Aletaha D, Aringer M, Boers M, Buckley CD, Buttgereit F, Bykerk V, Cardiel M, Combe B, Cutolo M, van Eijk-Hustings Y, Emery P, Finckh A, Gabay C, Gomez-Reino J, Gossec L, Gottenberg JE, Hazes JMW, Huizinga T, Jani M, Karateev D, Kouloumas M, Kvien T, Li Z, Mariette X, McInnes I, Mysler E, Nash P, Pavelka K, Poor G, Richez C, van Riel P, Rubbert-Roth A, Saag K, da Silva J, Stamm T, Takeuchi T, Westhovens R, de Wit M, van der Heijde D: EULAR recommendations for the management of rheumatoid arthritis with synthetic and biological disease-modifying antirheumatic drugs: 2016 update. Ann Rheum Dis. 2017 Jun;76(6):960-977. doi: 10.1136/annrheumdis-2016-210715. Epub 2017 Mar 6.@@Kampan NC, Xiang SD, McNally OM, Stephens AN, Quinn MA, Plebanski M: Immunotherapeutic Interleukin-6 or Interleukin-6 receptor blockade in cancer: challenges and opportunities. Curr Med Chem. 2017 Jul 12. doi: 10.2174/0929867324666170712160621.@@Lin P: Targeting interleukin-6 for noninfectious uveitis. Clin Ophthalmol. 2015 Sep 11;9:1697-702. doi: 10.2147/OPTH.S68595. eCollection 2015." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Immunoproteins; Globulins; Cytochrome P-450 CYP3A4 Inhibitors (weak); Amino Acids, Peptides, and Proteins; Interleukin-6 Receptor Antagonist; Interleukin Inhibitors; Antibodies; Cytochrome P-450 Enzyme Inducers; Immunotherapy; Biologics for Rheumatoid Arthritis Treatment; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Proteins; Cytochrome P-450 CYP3A4 Inducers; Disease-modifying Antirheumatic Agents; Cytochrome P-450 CYP3A4 Inhibitors; Immunoglobulins; Cytochrome P-450 CYP3A4 Inducers (weak); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A Inducers; Antirheumatic Agents; Blood Proteins" 22840 347911238 Sarilumab 1923319 DB11767 Sarilumab BE0000710 FCGR1A P12314 FCGR1_HUMAN unknown Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Immunoproteins; Globulins; Cytochrome P-450 CYP3A4 Inhibitors (weak); Amino Acids, Peptides, and Proteins; Interleukin-6 Receptor Antagonist; Interleukin Inhibitors; Antibodies; Cytochrome P-450 Enzyme Inducers; Immunotherapy; Biologics for Rheumatoid Arthritis Treatment; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Proteins; Cytochrome P-450 CYP3A4 Inducers; Disease-modifying Antirheumatic Agents; Cytochrome P-450 CYP3A4 Inhibitors; Immunoglobulins; Cytochrome P-450 CYP3A4 Inducers (weak); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A Inducers; Antirheumatic Agents; Blood Proteins" 22840 347911238 Sarilumab 1923319 DB11772 Pilaralisib BE0002379 PIK3CA P42336 PK3CA_HUMAN Investigational Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Heterocyclic Compounds, Fused-Ring; Sulfones; Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Sulfur Compounds; Amides" COC1=CC=C(Cl)C(NC2=C(NS(=O)(=O)C3=CC(NC(=O)C(C)(C)N)=CC=C3)N=C3C=CC=CC3=N2)=C1 347828124 CHEMBL3360203 DB11781 Tosedostat BE0003419 NPEPPS P55786 PSA_HUMAN Investigational N-acyl-alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Amino Acids, Peptides, and Proteins" CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)C1=CC=CC=C1 347828131 CHEMBL2103847 DB11781 Tosedostat BE0001680 LTA4H P09960 LKHA4_HUMAN Investigational N-acyl-alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Amino Acids, Peptides, and Proteins" CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)C1=CC=CC=C1 347828131 CHEMBL2103847 DB11791 Capmatinib BE0000915 MET P08581 MET_HUMAN inhibitor Approved; Investigational Quinolines and derivatives Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives "Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; MATE 2-K Inhibitors; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Acids, Carbocyclic; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; Mesenchymal Epithelial Transition Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CNC(=O)C1=C(F)C=C(C=C1)C1=NN2C(CC3=CC4=C(C=C3)N=CC=C4)=CN=C2N=C1 23733 347828140 Capmatinib CHEMBL3188267 2362165 DB11793 Niraparib BE0001717 PARP1 P09874 PARP1_HUMAN inhibitor 30073633 "Heo YA, Duggan ST: Niraparib: A Review in Ovarian Cancer. Target Oncol. 2018 Aug;13(4):533-539. doi: 10.1007/s11523-018-0582-1." Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "MATE 1 Substrates; MATE 2 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Poly (ADP-ribose) polymerase (PARP) inhibitors; MATE 1 Inhibitors; MATE 1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Heterocyclic Compounds, Fused-Ring; Poly(ADP-ribose) Polymerase Inhibitors; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; MATE 2 Substrates with a Narrow Therapeutic Index; Pyrazoles; Cytochrome P-450 CYP1A2 Inducers (weak); Narrow Therapeutic Index Drugs; MATE substrates" NC(=O)C1=CC=CC2=CN(N=C12)C1=CC=C(C=C1)[C@@H]1CCCNC1 23270 347828142 PA166131610 Niraparib CHEMBL1094636 1918231 DB11793 Niraparib BE0003798 PARP2 Q9UGN5 PARP2_HUMAN inhibitor 30073633 "Heo YA, Duggan ST: Niraparib: A Review in Ovarian Cancer. Target Oncol. 2018 Aug;13(4):533-539. doi: 10.1007/s11523-018-0582-1." Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "MATE 1 Substrates; MATE 2 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Poly (ADP-ribose) polymerase (PARP) inhibitors; MATE 1 Inhibitors; MATE 1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Heterocyclic Compounds, Fused-Ring; Poly(ADP-ribose) Polymerase Inhibitors; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; MATE 2 Substrates with a Narrow Therapeutic Index; Pyrazoles; Cytochrome P-450 CYP1A2 Inducers (weak); Narrow Therapeutic Index Drugs; MATE substrates" NC(=O)C1=CC=CC2=CN(N=C12)C1=CC=C(C=C1)[C@@H]1CCCNC1 23270 347828142 PA166131610 Niraparib CHEMBL1094636 1918231 DB11800 Tivozanib BE0000029 FLT1 P17948 VGFR1_HUMAN inhibitor 32234426; 32547647 "Wang J, Bruin MAC, Gan C, Lebre MC, Rosing H, Beijnen JH, Schinkel AH: Brain accumulation of tivozanib is restricted by ABCB1 (P-glycoprotein) and ABCG2 (breast cancer resistance protein) in mice. Int J Pharm. 2020 May 15;581:119277. doi: 10.1016/j.ijpharm.2020.119277. Epub 2020 Mar 28.@@Salgia NJ, Zengin ZB, Pal SK: Tivozanib in renal cell carcinoma: a new approach to previously treated disease. Ther Adv Med Oncol. 2020 May 22;12:1758835920923818. doi: 10.1177/1758835920923818. eCollection 2020." Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors" COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1 347828149 Tivozanib CHEMBL1289494 2534233 DB11800 Tivozanib BE0000453 KIT P10721 KIT_HUMAN inhibitor 33101775; 31496820 "Kalathil SG, Wang K, Hutson A, Iyer R, Thanavala Y: Tivozanib mediated inhibition of c-Kit/SCF signaling on Tregs and MDSCs and reversal of tumor induced immune suppression correlates with survival of HCC patients. Oncoimmunology. 2020 Sep 30;9(1):1824863. doi: 10.1080/2162402X.2020.1824863.@@Yalcin S, Lacin S: Impact of tivozanib on patient outcomes in treatment of advanced renal cell carcinoma. Cancer Manag Res. 2019 Aug 16;11:7779-7785. doi: 10.2147/CMAR.S206105. eCollection 2019." Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors" COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1 347828149 Tivozanib CHEMBL1289494 2534233 DB11800 Tivozanib BE0002131 FGFR1 P11362 FGFR1_HUMAN inhibitor Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors" COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1 347828149 Tivozanib CHEMBL1289494 2534233 DB11800 Tivozanib BE0000915 MET P08581 MET_HUMAN inhibitor Approved; Investigational Diarylethers Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers "Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors" COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1 347828149 Tivozanib CHEMBL1289494 2534233 DB11811 Arhalofenate BE0000215 PPARG P37231 PPARG_HUMAN 17519293 "Chang F, Jaber LA, Berlie HD, O'Connell MB: Evolution of peroxisome proliferator-activated receptor agonists. Ann Pharmacother. 2007 Jun;41(6):973-83. Epub 2007 May 22." Investigational Phenoxyacetic acid derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives "Acids, Carbocyclic; Acids, Acyclic; Amides; Acetates" CC(=O)NCCOC(=O)[C@H](OC1=CC=CC(=C1)C(F)(F)F)C1=CC=C(Cl)C=C1 347828158 CHEMBL2103824 DB11817 Baricitinib BE0004145 JAK1 P23458 JAK1_HUMAN inhibitor 28255337; 27028914; 30871014 "Kuriya B, Cohen MD, Keystone E: Baricitinib in rheumatoid arthritis: evidence-to-date and clinical potential. Ther Adv Musculoskelet Dis. 2017 Feb;9(2):37-44. doi: 10.1177/1759720X16687481. Epub 2017 Jan 23.@@Genovese MC, Kremer J, Zamani O, Ludivico C, Krogulec M, Xie L, Beattie SD, Koch AE, Cardillo TE, Rooney TP, Macias WL, de Bono S, Schlichting DE, Smolen JS: Baricitinib in Patients with Refractory Rheumatoid Arthritis. N Engl J Med. 2016 Mar 31;374(13):1243-52. doi: 10.1056/NEJMoa1507247.@@Mayence A, Vanden Eynde JJ: Baricitinib: A 2018 Novel FDA-Approved Small Molecule Inhibiting Janus Kinases. Pharmaceuticals (Basel). 2019 Mar 12;12(1). pii: ph12010037. doi: 10.3390/ph12010037." Approved; Investigational "Pyrrolo[2,3-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines" "MATE 2 Substrates; OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; Janus Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Drugs that are Mainly Renally Excreted; Disease-modifying Antirheumatic Agents; Janus Kinase Inhibitor; P-glycoprotein substrates; BCRP/ABCG2 Substrates; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Selective Immunosuppressants; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; MATE 2 Substrates with a Narrow Therapeutic Index; Sulfur Compounds; Narrow Therapeutic Index Drugs; Antirheumatic Agents; MATE substrates; Azetines" CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1 22971 347828164 D10308 Baricitinib CHEMBL2105759 2047232 DB11817 Baricitinib BE0002408 JAK2 O60674 JAK2_HUMAN inhibitor 27028914; 28255337; 30871014 "Genovese MC, Kremer J, Zamani O, Ludivico C, Krogulec M, Xie L, Beattie SD, Koch AE, Cardillo TE, Rooney TP, Macias WL, de Bono S, Schlichting DE, Smolen JS: Baricitinib in Patients with Refractory Rheumatoid Arthritis. N Engl J Med. 2016 Mar 31;374(13):1243-52. doi: 10.1056/NEJMoa1507247.@@Kuriya B, Cohen MD, Keystone E: Baricitinib in rheumatoid arthritis: evidence-to-date and clinical potential. Ther Adv Musculoskelet Dis. 2017 Feb;9(2):37-44. doi: 10.1177/1759720X16687481. Epub 2017 Jan 23.@@Mayence A, Vanden Eynde JJ: Baricitinib: A 2018 Novel FDA-Approved Small Molecule Inhibiting Janus Kinases. Pharmaceuticals (Basel). 2019 Mar 12;12(1). pii: ph12010037. doi: 10.3390/ph12010037." Approved; Investigational "Pyrrolo[2,3-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines" "MATE 2 Substrates; OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; Janus Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Drugs that are Mainly Renally Excreted; Disease-modifying Antirheumatic Agents; Janus Kinase Inhibitor; P-glycoprotein substrates; BCRP/ABCG2 Substrates; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Selective Immunosuppressants; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; MATE 2 Substrates with a Narrow Therapeutic Index; Sulfur Compounds; Narrow Therapeutic Index Drugs; Antirheumatic Agents; MATE substrates; Azetines" CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1 22971 347828164 D10308 Baricitinib CHEMBL2105759 2047232 DB11817 Baricitinib BE0003493 JAK3 P52333 JAK3_HUMAN inhibitor 30871014 "Mayence A, Vanden Eynde JJ: Baricitinib: A 2018 Novel FDA-Approved Small Molecule Inhibiting Janus Kinases. Pharmaceuticals (Basel). 2019 Mar 12;12(1). pii: ph12010037. doi: 10.3390/ph12010037." Approved; Investigational "Pyrrolo[2,3-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines" "MATE 2 Substrates; OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; Janus Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Drugs that are Mainly Renally Excreted; Disease-modifying Antirheumatic Agents; Janus Kinase Inhibitor; P-glycoprotein substrates; BCRP/ABCG2 Substrates; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Selective Immunosuppressants; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; MATE 2 Substrates with a Narrow Therapeutic Index; Sulfur Compounds; Narrow Therapeutic Index Drugs; Antirheumatic Agents; MATE substrates; Azetines" CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1 22971 347828164 D10308 Baricitinib CHEMBL2105759 2047232 DB11817 Baricitinib BE0004146 TYK2 P29597 TYK2_HUMAN inhibitor 30871014 "Mayence A, Vanden Eynde JJ: Baricitinib: A 2018 Novel FDA-Approved Small Molecule Inhibiting Janus Kinases. Pharmaceuticals (Basel). 2019 Mar 12;12(1). pii: ph12010037. doi: 10.3390/ph12010037." Approved; Investigational "Pyrrolo[2,3-d]pyrimidines" "Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines" "MATE 2 Substrates; OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; Janus Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Drugs that are Mainly Renally Excreted; Disease-modifying Antirheumatic Agents; Janus Kinase Inhibitor; P-glycoprotein substrates; BCRP/ABCG2 Substrates; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Selective Immunosuppressants; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; MATE 2 Substrates with a Narrow Therapeutic Index; Sulfur Compounds; Narrow Therapeutic Index Drugs; Antirheumatic Agents; MATE substrates; Azetines" CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1 22971 347828164 D10308 Baricitinib CHEMBL2105759 2047232 DB11823 Esketamine BE0000417 GRIN2B Q13224 NMDE2_HUMAN antagonist 29736744 "Molero P, Ramos-Quiroga JA, Martin-Santos R, Calvo-Sanchez E, Gutierrez-Rojas L, Meana JJ: Antidepressant Efficacy and Tolerability of Ketamine and Esketamine: A Critical Review. CNS Drugs. 2018 May;32(5):411-420. doi: 10.1007/s40263-018-0519-3." Approved; Investigational Chlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes "Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Non-Competitive N-Methyl D-Aspartate (NMDA) Receptor Antagonists; Antidepressive Agents; Miscellaneous Antidepressants; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cyclohexanes; NMDA Receptor Antagonists; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Nervous System" CN[C@@]1(CCCCC1=O)C1=CC=CC=C1Cl 23459 347828170 D07283 Esketamine CHEMBL395091 2119365 DB11823 Esketamine BE0004281 EEF2 P13639 EF2_HUMAN inhibitor 29736744; 29516301 "Molero P, Ramos-Quiroga JA, Martin-Santos R, Calvo-Sanchez E, Gutierrez-Rojas L, Meana JJ: Antidepressant Efficacy and Tolerability of Ketamine and Esketamine: A Critical Review. CNS Drugs. 2018 May;32(5):411-420. doi: 10.1007/s40263-018-0519-3.@@Zanos P, Thompson SM, Duman RS, Zarate CA Jr, Gould TD: Convergent Mechanisms Underlying Rapid Antidepressant Action. CNS Drugs. 2018 Mar;32(3):197-227. doi: 10.1007/s40263-018-0492-x." Approved; Investigational Chlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes "Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Non-Competitive N-Methyl D-Aspartate (NMDA) Receptor Antagonists; Antidepressive Agents; Miscellaneous Antidepressants; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cyclohexanes; NMDA Receptor Antagonists; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Nervous System" CN[C@@]1(CCCCC1=O)C1=CC=CC=C1Cl 23459 347828170 D07283 Esketamine CHEMBL395091 2119365 DB11823 Esketamine BE0003605 NTRK2 Q16620 NTRK2_HUMAN 29736744; 22407616; 28755104 "Molero P, Ramos-Quiroga JA, Martin-Santos R, Calvo-Sanchez E, Gutierrez-Rojas L, Meana JJ: Antidepressant Efficacy and Tolerability of Ketamine and Esketamine: A Critical Review. CNS Drugs. 2018 May;32(5):411-420. doi: 10.1007/s40263-018-0519-3.@@Autry AE, Monteggia LM: Brain-derived neurotrophic factor and neuropsychiatric disorders. Pharmacol Rev. 2012 Apr;64(2):238-58. doi: 10.1124/pr.111.005108. Epub 2012 Mar 8.@@van de Loo AJAE, Bervoets AC, Mooren L, Bouwmeester NH, Garssen J, Zuiker R, van Amerongen G, van Gerven J, Singh J, der Ark PV, Fedgchin M, Morrison R, Wajs E, Verster JC: The effects of intranasal esketamine (84 mg) and oral mirtazapine (30 mg) on on-road driving performance: a double-blind, placebo-controlled study. Psychopharmacology (Berl). 2017 Nov;234(21):3175-3183. doi: 10.1007/s00213-017-4706-6. Epub 2017 Jul 28." Approved; Investigational Chlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes "Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Non-Competitive N-Methyl D-Aspartate (NMDA) Receptor Antagonists; Antidepressive Agents; Miscellaneous Antidepressants; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cyclohexanes; NMDA Receptor Antagonists; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Nervous System" CN[C@@]1(CCCCC1=O)C1=CC=CC=C1Cl 23459 347828170 D07283 Esketamine CHEMBL395091 2119365 DB11828 Neratinib BE0000767 EGFR P00533 EGFR_HUMAN inhibitor Approved; Investigational 4-aminoquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives "Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Enzyme Inhibitors; Human epidermal growth factor receptor 2 (HER2) tyrosine kinase inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents; Protein Kinase Inhibitors" CCOC1=C(NC(=O)\C=C\CN(C)C)C=C2C(NC3=CC=C(OCC4=CC=CC=N4)C(Cl)=C3)=C(C=NC2=C1)C#N 23331 347828174 Neratinib CHEMBL180022 1940643 DB11830 Mocetinostat BE0002365 HDAC1 Q13547 HDAC1_HUMAN 17455259; 17868033 "Beckers T, Burkhardt C, Wieland H, Gimmnich P, Ciossek T, Maier T, Sanders K: Distinct pharmacological properties of second generation HDAC inhibitors with the benzamide or hydroxamate head group. Int J Cancer. 2007 Sep 1;121(5):1138-48.@@Khan N, Jeffers M, Kumar S, Hackett C, Boldog F, Khramtsov N, Qian X, Mills E, Berghs SC, Carey N, Finn PW, Collins LS, Tumber A, Ritchie JW, Jensen PB, Lichenstein HS, Sehested M: Determination of the class and isoform selectivity of small-molecule histone deacetylase inhibitors. Biochem J. 2008 Jan 15;409(2):581-9." Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "QTc Prolonging Agents; Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Histone Deacetylase Inhibitors; Moderate Risk QTc-Prolonging Agents; Amides; Benzene Derivatives; Antineoplastic Agents" NC1=CC=CC=C1NC(=O)C1=CC=C(CNC2=NC=CC(=N2)C2=CC=CN=C2)C=C1 347828176 Mocetinostat CHEMBL272980 DB11830 Mocetinostat BE0002366 HDAC2 Q92769 HDAC2_HUMAN 17868033 "Khan N, Jeffers M, Kumar S, Hackett C, Boldog F, Khramtsov N, Qian X, Mills E, Berghs SC, Carey N, Finn PW, Collins LS, Tumber A, Ritchie JW, Jensen PB, Lichenstein HS, Sehested M: Determination of the class and isoform selectivity of small-molecule histone deacetylase inhibitors. Biochem J. 2008 Jan 15;409(2):581-9." Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "QTc Prolonging Agents; Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Histone Deacetylase Inhibitors; Moderate Risk QTc-Prolonging Agents; Amides; Benzene Derivatives; Antineoplastic Agents" NC1=CC=CC=C1NC(=O)C1=CC=C(CNC2=NC=CC(=N2)C2=CC=CN=C2)C=C1 347828176 Mocetinostat CHEMBL272980 DB11840 Dalotuzumab BE0000858 IGF1R P08069 IGF1R_HUMAN antibody 25290091 "Brana I, Berger R, Golan T, Haluska P, Edenfield J, Fiorica J, Stephenson J, Martin LP, Westin S, Hanjani P, Jones MB, Almhanna K, Wenham RM, Sullivan DM, Dalton WS, Gunchenko A, Cheng JD, Siu LL, Gray JE: A parallel-arm phase I trial of the humanised anti-IGF-1R antibody dalotuzumab in combination with the AKT inhibitor MK-2206, the mTOR inhibitor ridaforolimus, or the NOTCH inhibitor MK-0752, in patients with advanced solid tumours. Br J Cancer. 2014 Nov 11;111(10):1932-44. doi: 10.1038/bjc.2014.497. Epub 2014 Oct 7." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 347911246 Dalotuzumab 1432293 DB11841 Entinostat BE0008667 HDAC1 Q9UKV0 HDAC9_HUMAN inhibitor 21282301; 16391874; 12411399; 12678732; 15843570; 22468166 "Dunoyer-Geindre S, Kruithof EK: Epigenetic control of tissue-type plasminogen activator synthesis in human endothelial cells. Cardiovasc Res. 2011 Jun 1;90(3):457-63. doi: 10.1093/cvr/cvr028. Epub 2011 Jan 31.@@Kouraklis G, Theocharis S: Histone deacetylase inhibitors: a novel target of anticancer therapy (review). Oncol Rep. 2006 Feb;15(2):489-94.@@Rossig L, Li H, Fisslthaler B, Urbich C, Fleming I, Forstermann U, Zeiher AM, Dimmeler S: Inhibitors of histone deacetylation downregulate the expression of endothelial nitric oxide synthase and compromise endothelial cell function in vasorelaxation and angiogenesis. Circ Res. 2002 Nov 1;91(9):837-44. doi: 10.1161/01.res.0000037983.07158.b1.@@Kouraklis G, Theocharis S: Histone deacetylase inhibitors and anticancer therapy. Curr Med Chem Anticancer Agents. 2002 Jul;2(4):477-84. doi: 10.2174/1568011023353921.@@Wang Y, Curry HM, Zwilling BS, Lafuse WP: Mycobacteria inhibition of IFN-gamma induced HLA-DR gene expression by up-regulating histone deacetylation at the promoter region in human THP-1 monocytic cells. J Immunol. 2005 May 1;174(9):5687-94. doi: 10.4049/jimmunol.174.9.5687.@@Huang PH, Plass C, Chen CS: Effects of Histone Deacetylase Inhibitors on Modulating H3K4 Methylation Marks - A Novel Cross-Talk Mechanism between Histone-Modifying Enzymes. Mol Cell Pharmacol. 2011;3(2):39-43." Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "Histone deacetylase (HDAC) inhibitors; Antineoplastic and Immunomodulating Agents; QTc Prolonging Agents; Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Histone Deacetylase Inhibitors; Moderate Risk QTc-Prolonging Agents; Amides; Benzene Derivatives; Antineoplastic Agents" NC1=CC=CC=C1NC(=O)C1=CC=C(CNC(=O)OCC2=CN=CC=C2)C=C1 347828185 Entinostat CHEMBL27759 DB11853 Relugolix BE0000203 GNRHR P30968 GNRHR_HUMAN antagonist Approved; Investigational N-phenylureas Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas "Anti-Gonadotropin-Releasing Hormones; Gonadotropin-releasing Hormone Antagonists; Hormone Antagonists and Related Agents; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; Hormone Antagonists; Benzene Derivatives; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; Decreased GnRH Secretion; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Gonadotropin Releasing Hormone Receptor Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Antiandrogens; Prostatic Neoplasms, drug therapy; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Hypothalamic Hormones; Cytochrome P-450 CYP3A Inducers; Pyrimidines; Receptors, LHRH, antagonists & inhibitors; Cytochrome P-450 CYP3A7 Substrates; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" CONC(=O)NC1=CC=C(C=C1)C1=C(CN(C)C)C2=C(S1)N(CC1=C(F)C=CC=C1F)C(=O)N(C2=O)C1=CC=C(OC)N=N1 23873 347828195 Relugolix CHEMBL1800159 2472778 DB11855 Revefenacin BE0004890 CHRM1 P08912 ACM5_HUMAN antagonist 29736245; 26109098; 8441331 "Hegde SS, Pulido-Rios MT, Luttmann MA, Foley JJ, Hunsberger GE, Steinfeld T, Lee T, Ji Y, Mammen MM, Jasper JR: Pharmacological properties of revefenacin (TD-4208), a novel, nebulized long-acting, and lung selective muscarinic antagonist, at human recombinant muscarinic receptors and in rat, guinea pig, and human isolated airway tissues. Pharmacol Res Perspect. 2018 Apr 30;6(3):e00400. doi: 10.1002/prp2.400. eCollection 2018 Jun.@@Melani AS: Long-acting muscarinic antagonists. Expert Rev Clin Pharmacol. 2015;8(4):479-501. doi: 10.1586/17512433.2015.1058154.@@Barnes PJ: Muscarinic receptor subtypes in airways. Life Sci. 1993;52(5-6):521-7." Approved; Investigational N-benzylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines BCRP/ABCG2 Substrates; Anticholinergic Agents; Muscarinic Antagonists; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 Substrates; OATP1B3 substrates; OATP1B1/SLCO1B1 Substrates; Bronchodilator Agents; Amides; Drugs for Obstructive Airway Diseases; Benzene Derivatives; P-glycoprotein substrates CN(CCN1CCC(CC1)OC(=O)NC1=CC=CC=C1C1=CC=CC=C1)C(=O)C1=CC=C(CN2CCC(CC2)C(N)=O)C=C1 347828196 Revefenacin CHEMBL3833319 2102775 DB11858 Leukotriene D4 BE0000099 CYSLTR2 Q9NS75 CLTR2_HUMAN 10851239; 11093801 "Heise CE, O'Dowd BF, Figueroa DJ, Sawyer N, Nguyen T, Im DS, Stocco R, Bellefeuille JN, Abramovitz M, Cheng R, Williams DL Jr, Zeng Z, Liu Q, Ma L, Clements MK, Coulombe N, Liu Y, Austin CP, George SR, O'Neill GP, Metters KM, Lynch KR, Evans JF: Characterization of the human cysteinyl leukotriene 2 receptor. J Biol Chem. 2000 Sep 29;275(39):30531-6.@@Nothacker HP, Wang Z, Zhu Y, Reinscheid RK, Lin SH, Civelli O: Molecular cloning and characterization of a second human cysteinyl leukotriene receptor: discovery of a subtype selective agonist. Mol Pharmacol. 2000 Dec;58(6):1601-8." Investigational Leukotrienes Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids "SRS-A; Fatty Acids, Essential; Inflammation Mediators; Biological Factors; Lipids; Autacoids; Fatty Acids; Leukotrienes; Eicosanoids; Fatty Acids, Unsaturated; Arachidonic Acids" CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O 347828197 Leukotriene_D4 CHEMBL288943 DB11886 Infigratinib BE0002131 FGFR1 P11362 FGFR1_HUMAN inhibitor Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Receptor, Fibroblast Growth Factor, Type 1, antagonists & inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Fibroblast Growth Factor 2, antagonists & inhibitors; MATE inhibitors; Tyrosine Kinase Inhibitors; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; OCT1 inhibitors; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CCN1CCN(CC1)C1=CC=C(NC2=CC(=NC=N2)N(C)C(=O)NC2=C(Cl)C(OC)=CC(OC)=C2Cl)C=C1 23657 347828222 Infigratinib CHEMBL1852688 2550729 DB11886 Infigratinib BE0000748 FGFR2 P21802 FGFR2_HUMAN inhibitor Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Receptor, Fibroblast Growth Factor, Type 1, antagonists & inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Fibroblast Growth Factor 2, antagonists & inhibitors; MATE inhibitors; Tyrosine Kinase Inhibitors; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; OCT1 inhibitors; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CCN1CCN(CC1)C1=CC=C(NC2=CC(=NC=N2)N(C)C(=O)NC2=C(Cl)C(OC)=CC(OC)=C2Cl)C=C1 23657 347828222 Infigratinib CHEMBL1852688 2550729 DB11886 Infigratinib BE0001203 FGFR4 P22455 FGFR4_HUMAN inhibitor Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Receptor, Fibroblast Growth Factor, Type 1, antagonists & inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Fibroblast Growth Factor 2, antagonists & inhibitors; MATE inhibitors; Tyrosine Kinase Inhibitors; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; OCT1 inhibitors; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CCN1CCN(CC1)C1=CC=C(NC2=CC(=NC=N2)N(C)C(=O)NC2=C(Cl)C(OC)=CC(OC)=C2Cl)C=C1 23657 347828222 Infigratinib CHEMBL1852688 2550729 DB11901 Apalutamide BE0000132 AR P10275 ANDR_HUMAN antagonist 22266222 "Clegg NJ, Wongvipat J, Joseph JD, Tran C, Ouk S, Dilhas A, Chen Y, Grillot K, Bischoff ED, Cai L, Aparicio A, Dorow S, Arora V, Shao G, Qian J, Zhao H, Yang G, Cao C, Sensintaffar J, Wasielewska T, Herbert MR, Bonnefous C, Darimont B, Scher HI, Smith-Jones P, Klang M, Smith ND, De Stanchina E, Wu N, Ouerfelli O, Rix PJ, Heyman RA, Jung ME, Sawyers CL, Hager JH: ARN-509: a novel antiandrogen for prostate cancer treatment. Cancer Res. 2012 Mar 15;72(6):1494-503. doi: 10.1158/0008-5472.CAN-11-3948. Epub 2012 Jan 20." Approved; Investigational Phenylimidazolidines Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines "OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Cytochrome P-450 CYP3A4 Inducers (strong); MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; OATP1B1/SLCO1B1 Inducers; Cytochrome P-450 Substrates; Androgen Receptor Inhibitors; Imidazoles; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Antiandrogens; MATE inhibitors; Prostatic Neoplasms, drug therapy; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inducers (strong); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Endocrine Therapy; MATE 2 Inhibitors; Imidazolidines; Cytochrome P-450 CYP2C9 Inducers (weak); Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Hormone Antagonists and Related Agents; BCRP/ABCG2 Inducers" CNC(=O)C1=CC=C(C=C1F)N1C(=S)N(C(=O)C11CCC1)C1=CC(=C(N=C1)C#N)C(F)(F)F 22964 347828234 Apalutamide CHEMBL3183409 1999574 DB11921 Deflazacort BE0000794 NR3C1 P04150 GCR_HUMAN agonist 7494809 "Mollmann H, Hochhaus G, Rohatagi S, Barth J, Derendorf H: Pharmacokinetic/pharmacodynamic evaluation of deflazacort in comparison to methylprednisolone and prednisolone. Pharm Res. 1995 Jul;12(7):1096-100." Approved; Investigational "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Glucocorticoids; Corticosteroids for Systemic Use" [H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@]([H])(O)C[C@]3(C)[C@@]1(N=C(C)O2)C(=O)COC(C)=O 347828252 D03671 Deflazacort CHEMBL1201891 22396 DB11936 Bempedoic acid BE0009867 ACLY P53396 ACLY_HUMAN inhibitor 29609755; 27663902 "Saeed A, Ballantyne CM: Bempedoic Acid (ETC-1002): A Current Review. Cardiol Clin. 2018 May;36(2):257-264. doi: 10.1016/j.ccl.2017.12.007. Epub 2018 Feb 21.@@Bilen O, Ballantyne CM: Bempedoic Acid (ETC-1002): an Investigational Inhibitor of ATP Citrate Lyase. Curr Atheroscler Rep. 2016 Oct;18(10):61. doi: 10.1007/s11883-016-0611-4." Approved; Investigational Long-chain fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "OATP1B1/SLCO1B1 Inhibitors; OATP1B3 inhibitors; UGT2B7 substrates; Lipid Modifying Agents; Enzyme Inhibitors; Lipid Modifying Agents, Plain; OATP1B3 substrates; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Acids, Acyclic; Hypolipidemic Agents Indicated for Hyperlipidemia; Adenosine Triphosphate-Citrate Lyase Inhibitors; Hypolipidemic Agents; Lipid Regulating Agents; Adenosine Triphosphate-Citrate Lyase Inhibitor" CC(C)(CCCCCC(O)CCCCCC(C)(C)C(O)=O)C(O)=O 347828263 Bempedoic_acid CHEMBL3545313 2282403 DB11937 Kynurenic Acid BE0003721 AHR P35869 AHR_HUMAN 20106948 "DiNatale BC, Murray IA, Schroeder JC, Flaveny CA, Lahoti TS, Laurenzana EM, Omiecinski CJ, Perdew GH: Kynurenic acid is a potent endogenous aryl hydrocarbon receptor ligand that synergistically induces interleukin-6 in the presence of inflammatory signaling. Toxicol Sci. 2010 May;115(1):89-97. doi: 10.1093/toxsci/kfq024. Epub 2010 Jan 27." Investigational Quinoline carboxylic acids Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids "Excitatory Amino Acid Agents; Hydroxyquinolines; Xanthurenates; Heterocyclic Compounds, Fused-Ring; Excitatory Amino Acid Antagonists; Neurotransmitter Agents; Quinolines" OC(=O)C1=CC(=O)C2=CC=CC=C2N1 347828264 CHEMBL299155 DB11942 Selinexor BE0009694 XPO1 O14980 XPO1_HUMAN inhibitor Approved; Investigational "Phenyl-1,2,4-triazoles" Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles OATP1B3 inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 Substrates; Nuclear Export Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents FC(F)(F)C1=CC(=CC(=C1)C1=NN(\C=C/C(=O)NNC2=NC=CN=C2)C=N1)C(F)(F)F 23737 347828269 Selinexor CHEMBL3545185 2178390 DB11945 Avelumab BE0003441 CD274 Q9NZQ7 PD1L1_HUMAN inhibitor 23724846; 33807678 "Hamid O, Robert C, Daud A, Hodi FS, Hwu WJ, Kefford R, Wolchok JD, Hersey P, Joseph RW, Weber JS, Dronca R, Gangadhar TC, Patnaik A, Zarour H, Joshua AM, Gergich K, Elassaiss-Schaap J, Algazi A, Mateus C, Boasberg P, Tumeh PC, Chmielowski B, Ebbinghaus SW, Li XN, Kang SP, Ribas A: Safety and tumor responses with lambrolizumab (anti-PD-1) in melanoma. N Engl J Med. 2013 Jul 11;369(2):134-44. doi: 10.1056/NEJMoa1305133. Epub 2013 Jun 2.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Globulins; Amino Acids, Peptides, and Proteins; PD-1/PDL-1 (Programmed cell death protein 1/death ligand 1) inhibitors; Antibodies; Immunotherapy; Programmed Death Ligand-1 Antagonists; Proteins; Antineoplastic Agents; Immunoglobulins; Immune Checkpoint Inhibitors; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Programmed Death Ligand-1 Blocker; Antineoplastic and Immunomodulating Agents; Programmed Death Ligand-1-directed Antibody Interactions; Narrow Therapeutic Index Drugs; Blood Proteins" 22914 347911260 Avelumab 1875534 DB11949 Vestipitant BE0000384 TACR1 P25103 NK1R_HUMAN 21229983 "Di Fabio R, Alvaro G, Griffante C, Pizzi DA, Donati D, Mattioli M, Cimarosti Z, Guercio G, Marchioro C, Provera S, Zonzini L, Montanari D, Melotto S, Gerrard PA, Trist DG, Ratti E, Corsi M: Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2- methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clinical candidate. J Med Chem. 2011 Feb 24;54(4):1071-9. doi: 10.1021/jm1013264. Epub 2011 Jan 13." Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Hydrocarbons, Halogenated; Neurokinin-1 Receptor Antagonists; Neurotransmitter Agents; Benzene Derivatives; Hydrocarbons, Fluorinated" C[C@@H](N(C)C(=O)N1CCNC[C@@H]1C1=CC=C(F)C=C1C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F 347828275 Vestipitant CHEMBL522987 DB11951 Lemborexant BE0005865 HCRTR2 O43614 OX2R_HUMAN antagonist Approved; Investigational N-arylamides Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; N-arylamides "Orexin Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Psycholeptics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP3A5 Substrates; Sleep Aids, Pharmaceutical; Sleep Initiation and Maintenance Disorders; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System" CC1=NC=C(OC[C@]2(C[C@H]2C(=O)NC2=NC=C(F)C=C2)C2=CC=CC(F)=C2)C(C)=N1 23527 347828277 Lemborexant CHEMBL3545367 2272403 DB11952 Duvelisib BE0001315 PIK3CG P48736 PK3CG_HUMAN inhibitor 24244039; 28945111; 28388280 "Boyle DL, Kim HR, Topolewski K, Bartok B, Firestein GS: Novel phosphoinositide 3-kinase delta,gamma inhibitor: potent anti-inflammatory effects and joint protection in models of rheumatoid arthritis. J Pharmacol Exp Ther. 2014 Feb;348(2):271-80. doi: 10.1124/jpet.113.205955. Epub 2013 Nov 15.@@Lampson BL, Brown JR: PI3Kdelta-selective and PI3Kalpha/delta-combinatorial inhibitors in clinical development for B-cell non-Hodgkin lymphoma. Expert Opin Investig Drugs. 2017 Nov;26(11):1267-1279. doi: 10.1080/13543784.2017.1384815. Epub 2017 Oct 6.@@Vangapandu HV, Jain N, Gandhi V: Duvelisib: a phosphoinositide-3 kinase delta/gamma inhibitor for chronic lymphocytic leukemia. Expert Opin Investig Drugs. 2017 May;26(5):625-632. doi: 10.1080/13543784.2017.1312338. Epub 2017 Apr 13." Approved; Investigational Isoquinolones and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives "BCRP/ABCG2 Substrates; Kinase Inhibitor; Phosphatidylinositol-3-kinase (Pi3K) inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors" C[C@H](NC1=C2N=CNC2=NC=N1)C1=CC2=CC=CC(Cl)=C2C(=O)N1C1=CC=CC=C1 347828278 D10555 Duvelisib CHEMBL3039502 2058509 DB11952 Duvelisib BE0002406 PIK3CD O00329 PK3CD_HUMAN inhibitor 24244039; 28945111; 28388280 "Boyle DL, Kim HR, Topolewski K, Bartok B, Firestein GS: Novel phosphoinositide 3-kinase delta,gamma inhibitor: potent anti-inflammatory effects and joint protection in models of rheumatoid arthritis. J Pharmacol Exp Ther. 2014 Feb;348(2):271-80. doi: 10.1124/jpet.113.205955. Epub 2013 Nov 15.@@Lampson BL, Brown JR: PI3Kdelta-selective and PI3Kalpha/delta-combinatorial inhibitors in clinical development for B-cell non-Hodgkin lymphoma. Expert Opin Investig Drugs. 2017 Nov;26(11):1267-1279. doi: 10.1080/13543784.2017.1384815. Epub 2017 Oct 6.@@Vangapandu HV, Jain N, Gandhi V: Duvelisib: a phosphoinositide-3 kinase delta/gamma inhibitor for chronic lymphocytic leukemia. Expert Opin Investig Drugs. 2017 May;26(5):625-632. doi: 10.1080/13543784.2017.1312338. Epub 2017 Apr 13." Approved; Investigational Isoquinolones and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives "BCRP/ABCG2 Substrates; Kinase Inhibitor; Phosphatidylinositol-3-kinase (Pi3K) inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors" C[C@H](NC1=C2N=CNC2=NC=N1)C1=CC2=CC=CC(Cl)=C2C(=O)N1C1=CC=CC=C1 347828278 D10555 Duvelisib CHEMBL3039502 2058509 DB11962 GSK-1059615 BE0002386 MTOR P42345 MTOR_HUMAN inhibitor 28881606; 30765226 "Xie J, Li Q, Ding X, Gao Y: GSK1059615 kills head and neck squamous cell carcinoma cells possibly via activating mitochondrial programmed necrosis pathway. Oncotarget. 2017 Feb 7;8(31):50814-50823. doi: 10.18632/oncotarget.15135. eCollection 2017 Aug 1.@@Bei S, Li F, Li H, Li J, Zhang X, Sun Q, Feng L: Inhibition of gastric cancer cell growth by a PI3K-mTOR dual inhibitor GSK1059615. Biochem Biophys Res Commun. 2019 Mar 26;511(1):13-20. doi: 10.1016/j.bbrc.2019.02.032. Epub 2019 Feb 11." Investigational Bipyridines and oligopyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines O=C1NC(=O)\C(S1)=C\C1=CC=C2N=CC=C(C3=CC=NC=C3)C2=C1 347828286 CHEMBL3544966 DB11962 GSK-1059615 BE0003729 PIK3C3 Q8NEB9 PK3C3_HUMAN inhibitor 32610557 "Yang CY, Liu CR, Chang IY, OuYang CN, Hsieh CH, Huang YL, Wang CI, Jan FW, Wang WL, Tsai TL, Liu H, Tseng CP, Chang YS, Wu CC, Chang KP: Cotargeting CHK1 and PI3K Synergistically Suppresses Tumor Growth of Oral Cavity Squamous Cell Carcinoma in Patient-Derived Xenografts. Cancers (Basel). 2020 Jun 29;12(7). pii: cancers12071726. doi: 10.3390/cancers12071726." Investigational Bipyridines and oligopyridines Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines O=C1NC(=O)\C(S1)=C\C1=CC=C2N=CC=C(C3=CC=NC=C3)C2=C1 347828286 CHEMBL3544966 DB11963 Dacomitinib BE0000767 EGFR P00533 EGFR_HUMAN inhibitor 9751783; 23294134 "Fry DW, Bridges AJ, Denny WA, Doherty A, Greis KD, Hicks JL, Hook KE, Keller PR, Leopold WR, Loo JA, McNamara DJ, Nelson JM, Sherwood V, Smaill JB, Trumpp-Kallmeyer S, Dobrusin EM: Specific, irreversible inactivation of the epidermal growth factor receptor and erbB2, by a new class of tyrosine kinase inhibitor. Proc Natl Acad Sci U S A. 1998 Sep 29;95(20):12022-7.@@Brzezniak C, Carter CA, Giaccone G: Dacomitinib, a new therapy for the treatment of non-small cell lung cancer. Expert Opin Pharmacother. 2013 Feb;14(2):247-53. doi: 10.1517/14656566.2013.758714. Epub 2013 Jan 7." Approved; Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2D6 Inhibitors (strong); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; OCT1 inhibitors; Narrow Therapeutic Index Drugs; Quinazolines; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" COC1=C(NC(=O)\C=C\CN2CCCCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1 23131 347828287 D09883 Dacomitinib CHEMBL2110732 2058848 DB11967 Binimetinib BE0004744 MAP2K2 P36507 MP2K2_HUMAN inhibitor 28587477 "Koelblinger P, Dornbierer J, Dummer R: A review of binimetinib for the treatment of mutant cutaneous melanoma. Future Oncol. 2017 Aug;13(20):1755-1766. doi: 10.2217/fon-2017-0170. Epub 2017 Jun 7." Approved; Investigational 3-halobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Protein Kinase Inhibitors; MAP Kinase Kinase 2, antagonists & inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; UGT1A1 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Mitogen-activated protein kinase (MEK) inhibitors; Heterocyclic Compounds, Fused-Ring; P-glycoprotein substrates with a Narrow Therapeutic Index; MAP Kinase Kinase 1, antagonists & inhibitors; Antineoplastic and Immunomodulating Agents; UGT1A1 Substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN1C=NC2=C(F)C(NC3=CC=C(Br)C=C3F)=C(C=C12)C(=O)NOCCO 23571 347828291 PA166179867 Binimetinib CHEMBL3187723 DB11967 Binimetinib BE0000870 MAP2K1 Q02750 MP2K1_HUMAN inhibitor Approved; Investigational 3-halobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Protein Kinase Inhibitors; MAP Kinase Kinase 2, antagonists & inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; UGT1A1 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Mitogen-activated protein kinase (MEK) inhibitors; Heterocyclic Compounds, Fused-Ring; P-glycoprotein substrates with a Narrow Therapeutic Index; MAP Kinase Kinase 1, antagonists & inhibitors; Antineoplastic and Immunomodulating Agents; UGT1A1 Substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates" CN1C=NC2=C(F)C(NC3=CC=C(Br)C=C3F)=C(C=C12)C(=O)NOCCO 23571 347828291 PA166179867 Binimetinib CHEMBL3187723 DB11973 Tesevatinib BE0000953 EGF P01133 EGF_HUMAN Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Aza Compounds; Receptor, EphB4, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Vascular Endothelial Growth Factor Receptor-2, antagonists & inhibitors; Enzyme Inhibitors; Receptor, ErbB-2, antagonists & inhibitors; Tyrosine Kinase Inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors" COC1=C(OC[C@H]2C[C@H]3CN(C)C[C@H]3C2)C=C2N=CN=C(NC3=CC=C(Cl)C(Cl)=C3F)C2=C1 347828296 Tesevatinib CHEMBL3544983 DB11973 Tesevatinib BE0002453 EPHB4 P54760 EPHB4_HUMAN Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Aza Compounds; Receptor, EphB4, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Vascular Endothelial Growth Factor Receptor-2, antagonists & inhibitors; Enzyme Inhibitors; Receptor, ErbB-2, antagonists & inhibitors; Tyrosine Kinase Inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors" COC1=C(OC[C@H]2C[C@H]3CN(C)C[C@H]3C2)C=C2N=CN=C(NC3=CC=C(Cl)C(Cl)=C3F)C2=C1 347828296 Tesevatinib CHEMBL3544983 DB11973 Tesevatinib BE0000511 ERBB2 P04626 ERBB2_HUMAN Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Aza Compounds; Receptor, EphB4, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Vascular Endothelial Growth Factor Receptor-2, antagonists & inhibitors; Enzyme Inhibitors; Receptor, ErbB-2, antagonists & inhibitors; Tyrosine Kinase Inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors" COC1=C(OC[C@H]2C[C@H]3CN(C)C[C@H]3C2)C=C2N=CN=C(NC3=CC=C(Cl)C(Cl)=C3F)C2=C1 347828296 Tesevatinib CHEMBL3544983 DB11976 Anifrolumab BE0000661 IFNAR1 P17181 INAR1_HUMAN inhibitor Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Type I Interferon Receptor Antagonist; Immunoproteins; Selective Immunosuppressants; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 23686 347911264 Anifrolumab 2565265 DB11978 Glasdegib BE0004659 SMO Q99835 SMO_HUMAN inhibitor 24900436 "Munchhof MJ, Li Q, Shavnya A, Borzillo GV, Boyden TL, Jones CS, LaGreca SD, Martinez-Alsina L, Patel N, Pelletier K, Reiter LA, Robbins MD, Tkalcevic GT: Discovery of PF-04449913, a Potent and Orally Bioavailable Inhibitor of Smoothened. ACS Med Chem Lett. 2011 Dec 21;3(2):106-11. doi: 10.1021/ml2002423. eCollection 2012 Feb 9." Approved; Investigational N-phenylureas Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas "QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Hedgehog Pathway Inhibitor; Smoothened Receptor Antagonists; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; UGT1A9 Substrates; Highest Risk QTc-Prolonging Agents; Hedgehog pathway inhibitors" CN1CC[C@H](C[C@@H]1C1=NC2=CC=CC=C2N1)NC(=O)NC1=CC=C(C=C1)C#N 23451 347828300 Glasdegib CHEMBL2043437 2105845 DB11979 Elagolix BE0000203 GNRHR P30968 GNRHR_HUMAN antagonist 19006286 "Chen C, Wu D, Guo Z, Xie Q, Reinhart GJ, Madan A, Wen J, Chen T, Huang CQ, Chen M, Chen Y, Tucci FC, Rowbottom M, Pontillo J, Zhu YF, Wade W, Saunders J, Bozigian H, Struthers RS: Discovery of sodium R-(+)-4-{2-[5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-4 -methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyrate (elagolix), a potent and orally available nonpeptide antagonist of the human gonadotropin-releasing hormone receptor. J Med Chem. 2008 Dec 11;51(23):7478-85. doi: 10.1021/jm8006454." Approved; Investigational Gamma amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Anti-Gonadotropin-Releasing Hormones; Gonadotropin-releasing Hormone Antagonists; OATP1B1/SLCO1B1 Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; Decreased GnRH Secretion; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Gonadotropin Releasing Hormone Receptor Antagonists; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Antigonadotropins and Similar Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hydrocarbons, Halogenated; Hypothalamic Hormones; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Pituitary and Hypothalamic Hormones and Analogues" COC1=CC=CC(=C1F)C1=C(C)N(CC2=C(C=CC=C2F)C(F)(F)F)C(=O)N(C[C@H](NCCCC(O)=O)C2=CC=CC=C2)C1=O 22993 347828301 Elagolix CHEMBL1208155 2049846 DB11986 Entrectinib BE0001039 NTRK1 P04629 NTRK1_HUMAN inhibitor 30050303; 26457764; 26939704; 30425456 "Liu D, Offin M, Harnicar S, Li BT, Drilon A: Entrectinib: an orally available, selective tyrosine kinase inhibitor for the treatment of NTRK, ROS1, and ALK fusion-positive solid tumors. Ther Clin Risk Manag. 2018 Jul 20;14:1247-1252. doi: 10.2147/TCRM.S147381. eCollection 2018.@@Rolfo C, Ruiz R, Giovannetti E, Gil-Bazo I, Russo A, Passiglia F, Giallombardo M, Peeters M, Raez L: Entrectinib: a potent new TRK, ROS1, and ALK inhibitor. Expert Opin Investig Drugs. 2015;24(11):1493-500. doi: 10.1517/13543784.2015.1096344. Epub 2015 Oct 12.@@Ardini E, Menichincheri M, Banfi P, Bosotti R, De Ponti C, Pulci R, Ballinari D, Ciomei M, Texido G, Degrassi A, Avanzi N, Amboldi N, Saccardo MB, Casero D, Orsini P, Bandiera T, Mologni L, Anderson D, Wei G, Harris J, Vernier JM, Li G, Felder E, Donati D, Isacchi A, Pesenti E, Magnaghi P, Galvani A: Entrectinib, a Pan-TRK, ROS1, and ALK Inhibitor with Activity in Multiple Molecularly Defined Cancer Indications. Mol Cancer Ther. 2016 Apr;15(4):628-39. doi: 10.1158/1535-7163.MCT-15-0758. Epub 2016 Mar 3.@@Pacenta HL, Macy ME: Entrectinib and other ALK/TRK inhibitors for the treatment of neuroblastoma. Drug Des Devel Ther. 2018 Oct 23;12:3549-3561. doi: 10.2147/DDDT.S147384. eCollection 2018." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Narrow Therapeutic Index Drugs" CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1 23398 347828307 Entrectinib CHEMBL1983268 2197862 DB11986 Entrectinib BE0009501 NTRK3 Q16288 NTRK3_HUMAN inhibitor 30050303; 26457764; 26939704; 30425456 "Liu D, Offin M, Harnicar S, Li BT, Drilon A: Entrectinib: an orally available, selective tyrosine kinase inhibitor for the treatment of NTRK, ROS1, and ALK fusion-positive solid tumors. Ther Clin Risk Manag. 2018 Jul 20;14:1247-1252. doi: 10.2147/TCRM.S147381. eCollection 2018.@@Rolfo C, Ruiz R, Giovannetti E, Gil-Bazo I, Russo A, Passiglia F, Giallombardo M, Peeters M, Raez L: Entrectinib: a potent new TRK, ROS1, and ALK inhibitor. Expert Opin Investig Drugs. 2015;24(11):1493-500. doi: 10.1517/13543784.2015.1096344. Epub 2015 Oct 12.@@Ardini E, Menichincheri M, Banfi P, Bosotti R, De Ponti C, Pulci R, Ballinari D, Ciomei M, Texido G, Degrassi A, Avanzi N, Amboldi N, Saccardo MB, Casero D, Orsini P, Bandiera T, Mologni L, Anderson D, Wei G, Harris J, Vernier JM, Li G, Felder E, Donati D, Isacchi A, Pesenti E, Magnaghi P, Galvani A: Entrectinib, a Pan-TRK, ROS1, and ALK Inhibitor with Activity in Multiple Molecularly Defined Cancer Indications. Mol Cancer Ther. 2016 Apr;15(4):628-39. doi: 10.1158/1535-7163.MCT-15-0758. Epub 2016 Mar 3.@@Pacenta HL, Macy ME: Entrectinib and other ALK/TRK inhibitors for the treatment of neuroblastoma. Drug Des Devel Ther. 2018 Oct 23;12:3549-3561. doi: 10.2147/DDDT.S147384. eCollection 2018." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Narrow Therapeutic Index Drugs" CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1 23398 347828307 Entrectinib CHEMBL1983268 2197862 DB11986 Entrectinib BE0009534 ROS1 P08922 ROS1_HUMAN inhibitor 30050303; 26457764; 26939704; 30425456 "Liu D, Offin M, Harnicar S, Li BT, Drilon A: Entrectinib: an orally available, selective tyrosine kinase inhibitor for the treatment of NTRK, ROS1, and ALK fusion-positive solid tumors. Ther Clin Risk Manag. 2018 Jul 20;14:1247-1252. doi: 10.2147/TCRM.S147381. eCollection 2018.@@Rolfo C, Ruiz R, Giovannetti E, Gil-Bazo I, Russo A, Passiglia F, Giallombardo M, Peeters M, Raez L: Entrectinib: a potent new TRK, ROS1, and ALK inhibitor. Expert Opin Investig Drugs. 2015;24(11):1493-500. doi: 10.1517/13543784.2015.1096344. Epub 2015 Oct 12.@@Ardini E, Menichincheri M, Banfi P, Bosotti R, De Ponti C, Pulci R, Ballinari D, Ciomei M, Texido G, Degrassi A, Avanzi N, Amboldi N, Saccardo MB, Casero D, Orsini P, Bandiera T, Mologni L, Anderson D, Wei G, Harris J, Vernier JM, Li G, Felder E, Donati D, Isacchi A, Pesenti E, Magnaghi P, Galvani A: Entrectinib, a Pan-TRK, ROS1, and ALK Inhibitor with Activity in Multiple Molecularly Defined Cancer Indications. Mol Cancer Ther. 2016 Apr;15(4):628-39. doi: 10.1158/1535-7163.MCT-15-0758. Epub 2016 Mar 3.@@Pacenta HL, Macy ME: Entrectinib and other ALK/TRK inhibitors for the treatment of neuroblastoma. Drug Des Devel Ther. 2018 Oct 23;12:3549-3561. doi: 10.2147/DDDT.S147384. eCollection 2018." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Narrow Therapeutic Index Drugs" CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1 23398 347828307 Entrectinib CHEMBL1983268 2197862 DB11986 Entrectinib BE0003605 NTRK2 Q16620 NTRK2_HUMAN inhibitor 30050303; 26457764; 26939704; 30425456 "Liu D, Offin M, Harnicar S, Li BT, Drilon A: Entrectinib: an orally available, selective tyrosine kinase inhibitor for the treatment of NTRK, ROS1, and ALK fusion-positive solid tumors. Ther Clin Risk Manag. 2018 Jul 20;14:1247-1252. doi: 10.2147/TCRM.S147381. eCollection 2018.@@Rolfo C, Ruiz R, Giovannetti E, Gil-Bazo I, Russo A, Passiglia F, Giallombardo M, Peeters M, Raez L: Entrectinib: a potent new TRK, ROS1, and ALK inhibitor. Expert Opin Investig Drugs. 2015;24(11):1493-500. doi: 10.1517/13543784.2015.1096344. Epub 2015 Oct 12.@@Ardini E, Menichincheri M, Banfi P, Bosotti R, De Ponti C, Pulci R, Ballinari D, Ciomei M, Texido G, Degrassi A, Avanzi N, Amboldi N, Saccardo MB, Casero D, Orsini P, Bandiera T, Mologni L, Anderson D, Wei G, Harris J, Vernier JM, Li G, Felder E, Donati D, Isacchi A, Pesenti E, Magnaghi P, Galvani A: Entrectinib, a Pan-TRK, ROS1, and ALK Inhibitor with Activity in Multiple Molecularly Defined Cancer Indications. Mol Cancer Ther. 2016 Apr;15(4):628-39. doi: 10.1158/1535-7163.MCT-15-0758. Epub 2016 Mar 3.@@Pacenta HL, Macy ME: Entrectinib and other ALK/TRK inhibitors for the treatment of neuroblastoma. Drug Des Devel Ther. 2018 Oct 23;12:3549-3561. doi: 10.2147/DDDT.S147384. eCollection 2018." Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Narrow Therapeutic Index Drugs" CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1 23398 347828307 Entrectinib CHEMBL1983268 2197862 DB11986 Entrectinib BE0002408 JAK2 O60674 JAK2_HUMAN inhibitor Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Narrow Therapeutic Index Drugs" CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1 23398 347828307 Entrectinib CHEMBL1983268 2197862 DB11994 Diacerein BE0001598 NR1H2 P55055 NR1H2_HUMAN inhibitor 23139635 "Sheng X, Zhu X, Zhang Y, Cui G, Peng L, Lu X, Zang YQ: Rhein protects against obesity and related metabolic disorders through liver X receptor-mediated uncoupling protein 1 upregulation in brown adipose tissue. Int J Biol Sci. 2012;8(10):1375-84. doi: 10.7150/ijbs.4575. Epub 2012 Oct 29." Approved; Investigational Anthracenecarboxylic acids Organic compounds; Benzenoids; Anthracenes; Anthracenecarboxylic acids and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Quinones; Musculo-Skeletal System; Anti-Inflammatory Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Anthracenes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CC(=O)OC1=CC=CC2=C1C(=O)C1=C(OC(C)=O)C=C(C=C1C2=O)C(O)=O 347828314 Diacerein CHEMBL41286 22759 DB11994 Diacerein BE0004866 CYP3A4 P24462 CP3A7_HUMAN inhibitor 18814214 "Tang JC, Yang H, Song XY, Song XH, Yan SL, Shao JQ, Zhang TL, Zhang JN: Inhibition of cytochrome P450 enzymes by rhein in rat liver microsomes. Phytother Res. 2009 Feb;23(2):159-64. doi: 10.1002/ptr.2572." Approved; Investigational Anthracenecarboxylic acids Organic compounds; Benzenoids; Anthracenes; Anthracenecarboxylic acids and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Quinones; Musculo-Skeletal System; Anti-Inflammatory Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Anthracenes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CC(=O)OC1=CC=CC2=C1C(=O)C1=C(OC(C)=O)C=C(C=C1C2=O)C(O)=O 347828314 Diacerein CHEMBL41286 22759 DB11994 Diacerein BE0002793 CYP2C9 P11712 CP2C9_HUMAN inhibitor 18814214 "Tang JC, Yang H, Song XY, Song XH, Yan SL, Shao JQ, Zhang TL, Zhang JN: Inhibition of cytochrome P450 enzymes by rhein in rat liver microsomes. Phytother Res. 2009 Feb;23(2):159-64. doi: 10.1002/ptr.2572." Approved; Investigational Anthracenecarboxylic acids Organic compounds; Benzenoids; Anthracenes; Anthracenecarboxylic acids and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Quinones; Musculo-Skeletal System; Anti-Inflammatory Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Anthracenes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CC(=O)OC1=CC=CC2=C1C(=O)C1=C(OC(C)=O)C=C(C=C1C2=O)C(O)=O 347828314 Diacerein CHEMBL41286 22759 DB11995 Avatrombopag BE0003440 MPL P40238 TPOR_HUMAN agonist Approved; Investigational N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2C8 Inducers (weak); OAT3/SLC22A8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inducers (weak); Hemostatics; Cytochrome P-450 CYP3A Substrates; Receptors, Thrombopoietin, agonists; Sulfur Compounds; Cytochrome P-450 CYP2C9 Inducers; Thrombopoietin Receptor Agonist; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates" OC(=O)C1CCN(CC1)C1=C(Cl)C=C(C=N1)C(=O)NC1=NC(C2=CC(Cl)=CS2)=C(S1)N1CCN(CC1)C1CCCCC1 23890 347828315 Avatrombopag CHEMBL2103883 2045726 DB12001 Abemaciclib BE0002212 CDK6 Q00534 CDK6_HUMAN inhibitor 24919854 "Gelbert LM, Cai S, Lin X, Sanchez-Martinez C, Del Prado M, Lallena MJ, Torres R, Ajamie RT, Wishart GN, Flack RS, Neubauer BL, Young J, Chan EM, Iversen P, Cronier D, Kreklau E, de Dios A: Preclinical characterization of the CDK4/6 inhibitor LY2835219: in-vivo cell cycle-dependent/independent anti-tumor activities alone/in combination with gemcitabine. Invest New Drugs. 2014 Oct;32(5):825-37. doi: 10.1007/s10637-014-0120-7. Epub 2014 Jun 13." Approved; Investigational Benzimidazoles Organic compounds; Organoheterocyclic compounds; Benzimidazoles "MATE 1 Substrates; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Amines; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; MATE 1 Substrates with a Narrow Therapeutic Index; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cyclin-dependent kinase (CDK) inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs; MATE substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CCN1CCN(CC2=CC=C(NC3=NC=C(F)C(=N3)C3=CC(F)=C4N=C(C)N(C(C)C)C4=C3)N=C2)CC1 23185 347828320 PA166153471 Abemaciclib CHEMBL3301610 1946825 DB12005 Nirogacestat BE0010960 PSEN1 P49768 PSN1_HUMAN inhibitor 32607444; 31198028; 33284507 "Bhattarai A, Devkota S, Bhattarai S, Wolfe MS, Miao Y: Mechanisms of gamma-Secretase Activation and Substrate Processing. ACS Cent Sci. 2020 Jun 24;6(6):969-983. doi: 10.1021/acscentsci.0c00296. Epub 2020 Jun 4.@@Wolfe MS: Structure and Function of the gamma-Secretase Complex. Biochemistry. 2019 Jul 9;58(27):2953-2966. doi: 10.1021/acs.biochem.9b00401. Epub 2019 Jun 25.@@McCaw TR, Inga E, Chen H, Jaskula-Sztul R, Dudeja V, Bibb JA, Ren B, Rose JB: Gamma Secretase Inhibitors in Cancer: A Current Perspective on Clinical Performance. Oncologist. 2021 Apr;26(4):e608-e621. doi: 10.1002/onco.13627. Epub 2021 Jan 2." Approved; Investigational Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amyloid Precursor Protein Secretases, antagonists & inhibitors; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Gamma Secretase Inhibitors and Modulators; Amino Acids, Branched-Chain; Cytochrome P-450 CYP2C9 Inducers (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Amino Acids; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C9 Inducers" CCC[C@H](N[C@H]1CCC2=CC(F)=CC(F)=C2C1)C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C 347828323 Nirogacestat CHEMBL1770916 2670631 DB12007 Isoflavone BE0000071 PPARA Q07869 PPARA_HUMAN agonist 12730403 "Mezei O, Banz WJ, Steger RW, Peluso MR, Winters TA, Shay N: Soy isoflavones exert antidiabetic and hypolipidemic effects through the PPAR pathways in obese Zucker rats and murine RAW 264.7 cells. J Nutr. 2003 May;133(5):1238-43. doi: 10.1093/jn/133.5.1238." Experimental Isoflavones Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes "Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Isoflavones; Drugs that are Mainly Renally Excreted; Pyrans; Flavonoids" O=C1C(=COC2=CC=CC=C12)C1=CC=CC=C1 347828325 Isoflavone CHEMBL366460 DB12007 Isoflavone BE0000215 PPARG P37231 PPARG_HUMAN agonist 12730403 "Mezei O, Banz WJ, Steger RW, Peluso MR, Winters TA, Shay N: Soy isoflavones exert antidiabetic and hypolipidemic effects through the PPAR pathways in obese Zucker rats and murine RAW 264.7 cells. J Nutr. 2003 May;133(5):1238-43. doi: 10.1093/jn/133.5.1238." Experimental Isoflavones Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes "Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Isoflavones; Drugs that are Mainly Renally Excreted; Pyrans; Flavonoids" O=C1C(=COC2=CC=CC=C12)C1=CC=CC=C1 347828325 Isoflavone CHEMBL366460 DB12008 Prexasertib BE0003382 CHEK1 O14757 CHK1_HUMAN inhibitor 30771522 "Hsu WH, Zhao X, Zhu J, Kim IK, Rao G, McCutcheon J, Hsu ST, Teicher B, Kallakury B, Dowlati A, Zhang YW, Giaccone G: Checkpoint Kinase 1 Inhibition Enhances Cisplatin Cytotoxicity and Overcomes Cisplatin Resistance in SCLC by Promoting Mitotic Cell Death. J Thorac Oncol. 2019 Jun;14(6):1032-1045. doi: 10.1016/j.jtho.2019.01.028. Epub 2019 Feb 14." Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles Enzyme Inhibitors; Protein Kinase Inhibitors COC1=CC=CC(OCCCN)=C1C1=CC(NC2=CN=C(C=N2)C#N)=NN1 347828326 Prexasertib CHEMBL3544911 DB12010 Fostamatinib BE0001316 SYK P43405 KSYK_HUMAN inhibitor 26516587; 16946104; 33689480 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4.@@Braselmann S, Taylor V, Zhao H, Wang S, Sylvain C, Baluom M, Qu K, Herlaar E, Lau A, Young C, Wong BR, Lovell S, Sun T, Park G, Argade A, Jurcevic S, Pine P, Singh R, Grossbard EB, Payan DG, Masuda ES: R406, an orally available spleen tyrosine kinase inhibitor blocks fc receptor signaling and reduces immune complex-mediated inflammation. J Pharmacol Exp Ther. 2006 Dec;319(3):998-1008. doi: 10.1124/jpet.106.109058. Epub 2006 Aug 31.@@Zheng TJ, Lofurno ER, Melrose AR, Lakshmanan HHS, Pang J, Phillips KG, Fallon ME, Kohs TCL, Ngo ATP, Shatzel JJ, Hinds MT, McCarty OJT, Aslan JE: Assessment of the effects of Syk and BTK inhibitors on GPVI-mediated platelet signaling and function. Am J Physiol Cell Physiol. 2021 May 1;320(5):C902-C915. doi: 10.1152/ajpcell.00296.2020. Epub 2021 Mar 10." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0002194 FAAH O00519 FAAH1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000182 PDE5A O76074 PDE5A_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001646 CTSS P25774 CATS_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000014 ABL1 P00519 ABL1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009380 RPS6KA6 Q9UK32 KS6A6_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004146 TYK2 P29597 TYK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004145 JAK1 P23458 JAK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000915 MET P08581 MET_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004109 STK26 Q9P289 STK26_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003761 PRKACA P17612 KAPCA_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009383 STK24 Q9Y6E0 STK24_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009384 STK3 Q13188 STK3_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009385 TEC P42680 TEC_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009386 STK33 Q9BYT3 STK33_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009387 STK35 Q8TDR2 STK35_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009388 STK36 Q9NRP7 STK36_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009389 STK38 Q15208 STK38_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009390 STK38L Q9Y2H1 ST38L_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009391 STK39 Q9UEW8 STK39_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009392 TAOK1 Q7L7X3 TAOK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004632 TAOK2 Q9UL54 TAOK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009393 TAOK3 Q9H2K8 TAOK3_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009394 TBK1 Q9UHD2 TBK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003782 TGFBR1 P36897 TGFR1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001861 TGFBR2 P37173 TGFR2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009397 TLK1 Q9UKI8 TLK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009398 TLK2 Q86UE8 TLK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009399 TNIK Q9UKE5 TNIK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009401 TNNI3K Q59H18 TNI3K_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003791 TTK P33981 TTK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009403 TXK P42681 TXK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009406 ULK2 Q8IYT8 ULK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003335 WEE1 P30291 WEE1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000840 YES1 P07947 YES_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009408 MAP3K19 Q56UN5 M3K19_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0005595 ZAK Q9NYL2 MLTK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001312 ZAP70 P43403 ZAP70_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009409 AAK1 Q2M2I8 AAK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000435 ABL2 P42684 ABL2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000264 ACVR1 Q04771 ACVR1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000665 ACVR1B P36896 ACV1B_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009410 COQ8B Q96D53 COQ8B_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000359 ALK Q9UM73 ALK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000991 AURKA O14965 AURKA_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003404 AURKB Q96GD4 AURKB_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009412 AXL P30530 UFO_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009413 BLK P51451 BLK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009414 BMP2K Q9NSY1 BMP2K_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009415 BMPR1B O00238 BMR1B_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009324 BMPR2 Q13873 BMPR2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009416 BMX P51813 BMX_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000634 BRAF P15056 BRAF_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001284 BTK Q06187 BTK_HUMAN inhibitor 26516587; 34209188 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4.@@Kaliamurthi S, Selvaraj G, Selvaraj C, Singh SK, Wei DQ, Peslherbe GH: Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19. Int J Mol Sci. 2021 Jun 30;22(13). pii: ijms22137071. doi: 10.3390/ijms22137071." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009417 CAMK1 Q14012 KCC1A_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004324 CAMK1D Q8IU85 KCC1D_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004076 CAMK2A Q9UQM7 KCC2A_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003792 CAMK2B Q13554 KCC2B_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004108 CAMK2D Q13557 KCC2D_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004384 CAMK2G Q13555 KCC2G_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009418 CAMKK1 Q8N5S9 KKCC1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009419 CAMKK2 Q96RR4 KKCC2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0002641 CASK O14936 CSKP_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001082 CDK1 P06493 CDK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009421 CDC42BPG Q6DT37 MRCKG_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009423 CDKL2 Q92772 CDKL2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003382 CHEK1 O14757 CHK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003381 CHEK2 O96017 CHK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009424 CIT O14578 CTRO_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001824 CLK1 P49759 CLK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009426 CLK4 Q9HAZ1 CLK4_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001356 CSK P41240 CSK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009427 CSNK1A1 P48729 KC1A_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001209 CSNK2A1 P68400 CSK21_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003984 CSNK2A2 P19784 CSK22_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001776 DAPK1 P53355 DAPK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009428 DAPK2 Q9UIK4 DAPK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003788 DAPK3 O43293 DAPK3_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009429 DCLK1 O15075 DCLK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009430 DCLK2 Q8N568 DCLK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001124 DDR1 Q08345 DDR1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004741 DDR2 Q16832 DDR2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004012 DYRK1A Q13627 DYR1A_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000767 EGFR P00533 EGFR_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009433 EIF2AK1 Q9BQI3 E2AK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009434 EIF2AK2 P19525 E2AK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009435 EIF2AK4 Q9P2K8 E2AK4_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009436 EPHA1 P21709 EPHA1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009437 EPHA3 P29320 EPHA3_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009438 EPHA4 P54764 EPHA4_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0005587 EPHA5 P54756 EPHA5_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009439 EPHA6 Q9UF33 EPHA6_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004140 EPHA7 Q15375 EPHA7_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009440 EPHA8 P29322 EPHA8_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009441 EPHB1 P54762 EPHB1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004549 EPHB2 P29323 EPHB2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0002453 EPHB4 P54760 EPHB4_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000511 ERBB2 P04626 ERBB2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004772 ERBB4 Q15303 ERBB4_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003839 ERN1 O75460 ERN1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009443 FER P16591 FER_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0002131 FGFR1 P11362 FGFR1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000748 FGFR2 P21802 FGFR2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0005539 FGR P09769 FGR_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000029 FLT1 P17948 VGFR1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0002386 MTOR P42345 MTOR_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000839 FYN P06241 FYN_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009445 GAK O14976 GAK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009446 GSK3A P49840 GSK3A_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001065 GSK3B P49841 GSK3B_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009447 HIPK2 Q9H2X6 HIPK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009448 HIPK3 Q9H422 HIPK3_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009449 ICK Q9UPZ9 ICK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001154 IKBKB O14920 IKKB_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000033 INSR P06213 INSR_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004344 IRAK4 Q9NWZ3 IRAK4_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001341 ITK Q08881 ITK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0002408 JAK2 O60674 JAK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003493 JAK3 P52333 JAK3_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009454 SIK3 Q9Y2K2 SIK3_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000453 KIT P10721 KIT_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009455 LATS1 O95835 LATS1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000842 LCK P06239 LCK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004759 LIMK1 P53667 LIMK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009456 LIMK2 P53671 LIMK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009457 LRRK2 Q5S007 LRRK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004315 LYN P07948 LYN_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004744 MAP2K2 P36507 MP2K2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009460 MAP2K5 Q13163 MP2K5_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009461 MAP2K6 P52564 MP2K6_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003430 MAP3K1 Q13233 M3K1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009462 MAP3K10 Q02779 M3K10_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009463 MAP3K11 Q16584 M3K11_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009465 MAP3K13 O43283 M3K13_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009466 MAP3K15 Q6ZN16 M3K15_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004745 MAP3K2 Q9Y2U5 M3K2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009467 MAP3K3 Q99759 M3K3_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009468 MAP3K4 Q9Y6R4 M3K4_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009470 MAP4K1 Q92918 M4K1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009471 MAP4K2 Q12851 M4K2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009472 MAP4K3 Q8IVH8 M4K3_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009473 MAP4K4 O95819 M4K4_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009474 MAP4K5 Q9Y4K4 M4K5_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001097 MAPK10 P53779 MK10_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001019 MAPK14 Q16539 MK14_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009476 MAPK4 P31152 MK04_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003772 MAPK9 P45984 MK09_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009478 MAPKAPK5 Q8IW41 MAPK5_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009479 MARK1 Q9P0L2 MARK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009480 MARK2 Q7KZI7 MARK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009481 MARK3 P27448 MARK3_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009482 MARK4 Q96L34 MARK4_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009483 CLASP1 Q7Z460 CLAP1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009484 MAST1 Q9Y2H9 MAST1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009485 MATK P42679 MATK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009486 MELK Q14680 MELK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004271 MERTK Q12866 MERTK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009487 MINK1 Q8N4C8 MINK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009488 MKNK1 Q9BUB5 MKNK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009489 MKNK2 Q9HBH9 MKNK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009491 MUSK O15146 MUSK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009492 MYLK Q15746 MYLK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009493 MYLK3 Q32MK0 MYLK3_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009494 MYLK4 Q86YV6 MYLK4_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009495 MYO3A Q8NEV4 MYO3A_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009496 NEK1 Q96PY6 NEK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004758 NEK11 Q8NG66 NEK11_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003796 NEK2 P51955 NEK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009497 NEK3 P51956 NEK3_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009498 NEK4 P51957 NEK4_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009500 NEK9 Q8TD19 NEK9_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001039 NTRK1 P04629 NTRK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003605 NTRK2 Q16620 NTRK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009501 NTRK3 Q16288 NTRK3_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009502 NUAK1 O60285 NUAK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009504 OXSR1 O95747 OXSR1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009505 PAK1 Q13153 PAK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009506 PAK2 Q13177 PAK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009508 PAK4 O96013 PAK4_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009509 PAK6 Q9NQU5 PAK6_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009510 PAK5 Q9P286 PAK5_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009511 CDK17 Q00537 CDK17_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001193 PDPK1 O15530 PDPK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000437 CDK15 Q96Q40 CDK15_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009513 PI4KB Q9UBF8 PI4KB_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009514 PIK3C2B O00750 P3C2B_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009515 PIK3C2G O75747 P3C2G_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0002406 PIK3CD O00329 PK3CD_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001315 PIK3CG P48736 PK3CG_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009517 PIP4K2B P78356 PI42B_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009518 PIP4K2C Q8TBX8 PI42C_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009519 PKMYT1 Q99640 PMYT1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009520 PKN1 Q16512 PKN1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009521 PKN2 Q16513 PKN2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009524 PLK4 O00444 PLK4_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000677 PRKAA1 Q13131 AAPK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004907 PRKAA1 Q9UGI9 AAKG3_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004475 PRKACB P22694 KAPCB_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003431 PRKCE Q02156 KPCE_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003889 PRKCI P41743 KPCI_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0001385 PRKCQ Q04759 KPCT_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009525 PRKD1 Q15139 KPCD1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009526 PRKG2 Q13237 KGP2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0003090 PTK2 Q05397 FAK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000871 PTK2B Q14289 FAK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000036 RAF1 P04049 RAF1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0002411 RET P07949 RET_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009528 RIOK1 Q9BRS2 RIOK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009529 RIOK2 Q9BVS4 RIOK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009530 RIOK3 O14730 RIOK3_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009531 RIPK1 Q13546 RIPK1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009532 RIPK2 O43353 RIPK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004191 ROCK2 O75116 ROCK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009534 ROS1 P08922 ROS1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004274 RPS6KA1 Q15418 KS6A1_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004876 RPS6KA3 P51812 KS6A3_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009537 SGK3 Q96BR1 SGK3_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009538 SIK2 Q9H0K1 SIK2_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004041 SLK Q9H2G2 SLK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009539 SNRK Q9NRH2 SNRK_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0000838 SRC P12931 SRC_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009541 STK10 O94804 STK10_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009543 STK17A Q9UEE5 ST17A_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0004328 STK17B O94768 ST17B_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12010 Fostamatinib BE0009544 STK32A Q8WU08 ST32A_HUMAN inhibitor 26516587 "Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4." Approved; Investigational Methoxyanilines Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC 23528 347828328 Fostamatinib CHEMBL2103830 2044896 DB12015 Alpelisib BE0002379 PIK3CA P42336 PK3CA_HUMAN inhibitor 28852212; 29109464 "Chen IC, Hsiao LP, Huang IW, Yu HC, Yeh LC, Lin CH, Wei-Wu Chen T, Cheng AL, Lu YS: Phosphatidylinositol-3 Kinase Inhibitors, Buparlisib and Alpelisib, Sensitize Estrogen Receptor-positive Breast Cancer Cells to Tamoxifen. Sci Rep. 2017 Aug 29;7(1):9842. doi: 10.1038/s41598-017-10555-z.@@Yang X, Zhang X, Huang M, Song K, Li X, Huang M, Meng L, Zhang J: New Insights into PI3K Inhibitor Design using X-ray Structures of PI3Kalpha Complexed with a Potent Lead Compound. Sci Rep. 2017 Nov 6;7(1):14572. doi: 10.1038/s41598-017-15260-5." Approved; Investigational Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Breast Neoplasms; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inducers (moderate); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Inducers (moderate); Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Class I Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Phosphatidylinositol-3-kinase (Pi3K) inhibitors; Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CC1=C(SC(NC(=O)N2CCC[C@H]2C(N)=O)=N1)C1=CC(=NC=C1)C(C)(C)C(F)(F)F 23434 347828332 Phosphoinositide_3-kinase_inhibitor CHEMBL2396661 2169285 DB12034 Gantenerumab BE0003392 APP P05067 A4_HUMAN antagonist 21955818; 21987394 "Bohrmann B, Baumann K, Benz J, Gerber F, Huber W, Knoflach F, Messer J, Oroszlan K, Rauchenberger R, Richter WF, Rothe C, Urban M, Bardroff M, Winter M, Nordstedt C, Loetscher H: Gantenerumab: a novel human anti-Abeta antibody demonstrates sustained cerebral amyloid-beta binding and elicits cell-mediated removal of human amyloid-beta. J Alzheimers Dis. 2012;28(1):49-69. doi: 10.3233/JAD-2011-110977.@@Ostrowitzki S, Deptula D, Thurfjell L, Barkhof F, Bohrmann B, Brooks DJ, Klunk WE, Ashford E, Yoo K, Xu ZX, Loetscher H, Santarelli L: Mechanism of amyloid removal in patients with Alzheimer disease treated with gantenerumab. Arch Neurol. 2012 Feb;69(2):198-207. doi: 10.1001/archneurol.2011.1538. Epub 2011 Oct 10." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 347911273 Gantenerumab DB12061 Pardoprunox BE0000581 DRD3 P35462 DRD3_HUMAN Investigational N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Heterocyclic Compounds, Fused-Ring" CN1CCN(CC1)C1=C2OC(=O)NC2=CC=C1 347828370 Pardoprunox CHEMBL2103832 DB12077 Urelumab BE0003463 TNFRSF9 Q07011 TNR9_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 347911279 Urelumab DB12095 Telotristat ethyl BE0000080 TPH2 Q8IWU9 TPH2_HUMAN antagonist 25012985 "Kulke MH, O'Dorisio T, Phan A, Bergsland E, Law L, Banks P, Freiman J, Frazier K, Jackson J, Yao JC, Kvols L, Lapuerta P, Zambrowicz B, Fleming D, Sands A: Telotristat etiprate, a novel serotonin synthesis inhibitor, in patients with carcinoid syndrome and diarrhea not adequately controlled by octreotide. Endocr Relat Cancer. 2014 Oct;21(5):705-14. doi: 10.1530/ERC-14-0173. Epub 2014 Jul 10." Approved; Investigational Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Antidiarrheals; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); UGT2B7 inducers; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Tryptophan Hydroxylase Inhibitor; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors CCOC(=O)[C@@H](N)CC1=CC=C(C=C1)C1=NC(N)=NC(O[C@H](C2=CC=C(Cl)C=C2N2C=CC(C)=N2)C(F)(F)F)=C1 23002 347828399 Telotristat_ethyl CHEMBL2105695 1872441 DB12095 Telotristat ethyl BE0000121 TPH1 P17752 TPH1_HUMAN antagonist 25012985 "Kulke MH, O'Dorisio T, Phan A, Bergsland E, Law L, Banks P, Freiman J, Frazier K, Jackson J, Yao JC, Kvols L, Lapuerta P, Zambrowicz B, Fleming D, Sands A: Telotristat etiprate, a novel serotonin synthesis inhibitor, in patients with carcinoid syndrome and diarrhea not adequately controlled by octreotide. Endocr Relat Cancer. 2014 Oct;21(5):705-14. doi: 10.1530/ERC-14-0173. Epub 2014 Jul 10." Approved; Investigational Phenylalanine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Antidiarrheals; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); UGT2B7 inducers; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Tryptophan Hydroxylase Inhibitor; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors CCOC(=O)[C@@H](N)CC1=CC=C(C=C1)C1=NC(N)=NC(O[C@H](C2=CC=C(Cl)C=C2N2C=CC(C)=N2)C(F)(F)F)=C1 23002 347828399 Telotristat_ethyl CHEMBL2105695 1872441 DB12110 m-Chlorophenylpiperazine BE0000533 HTR2C P28335 5HT2C_HUMAN agonist 7984284 "Gibson EL, Barnfield AM, Curzon G: Evidence that mCPP-induced anxiety in the plus-maze is mediated by postsynaptic 5-HT2C receptors but not by sympathomimetic effects. Neuropharmacology. 1994 Mar-Apr;33(3-4):457-65." Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Serotonin Agents; Central Nervous System Depressants; Neurotransmitter Agents; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Serotonin 5-HT2 Receptor Agonists ClC1=CC(=CC=C1)N1CCNCC1 347828411 CHEMBL478 DB12114 Poziotinib BE0000767 EGFR P00533 EGFR_HUMAN inhibitor 27188206 "Han JY, Lee KH, Kim SW, Min YJ, Cho E, Lee Y, Lee SH, Kim HY, Lee GK, Nam BH, Han H, Jung J, Lee JS: A Phase II Study of Poziotinib in Patients with Epidermal Growth Factor Receptor (EGFR)-Mutant Lung Adenocarcinoma Who Have Acquired Resistance to EGFR-Tyrosine Kinase Inhibitors. Cancer Res Treat. 2017 Jan;49(1):10-19. doi: 10.4143/crt.2016.058. Epub 2016 May 3." Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Heterocyclic Compounds, Fused-Ring" COC1=C(OC2CCN(CC2)C(=O)C=C)C=C2C(NC3=CC=C(Cl)C(Cl)=C3F)=NC=NC2=C1 347828415 Poziotinib CHEMBL3545154 DB12116 Epigallocatechin gallate BE0003721 AHR P35869 AHR_HUMAN 11064004 "Williams SN, Shih H, Guenette DK, Brackney W, Denison MS, Pickwell GV, Quattrochi LC: Comparative studies on the effects of green tea extracts and individual tea catechins on human CYP1A gene expression. Chem Biol Interact. 2000 Nov 1;128(3):211-29." Investigational Catechin gallates Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans "Antioxidants; Chromones; Anticarcinogenic Agents; Chromans; Biological Factors; Benzopyrans; Central Nervous System Agents; Heterocyclic Compounds, Fused-Ring; Neuroprotective Agents; Urokinase-Type Plasminogen Activator, antagonists & inhibitors; Antimutagenic Agents; Protective Agents; Pyrans; Antineoplastic Agents; Flavonoids; Compounds used in a research, industrial, or household setting" OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1 347828417 Epigallocatechin_gallate CHEMBL297453 24246 DB12116 Epigallocatechin gallate BE0000892 DNMT1 P26358 DNMT1_HUMAN inhibitor 14633667 "Fang MZ, Wang Y, Ai N, Hou Z, Sun Y, Lu H, Welsh W, Yang CS: Tea polyphenol (-)-epigallocatechin-3-gallate inhibits DNA methyltransferase and reactivates methylation-silenced genes in cancer cell lines. Cancer Res. 2003 Nov 15;63(22):7563-70." Investigational Catechin gallates Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans "Antioxidants; Chromones; Anticarcinogenic Agents; Chromans; Biological Factors; Benzopyrans; Central Nervous System Agents; Heterocyclic Compounds, Fused-Ring; Neuroprotective Agents; Urokinase-Type Plasminogen Activator, antagonists & inhibitors; Antimutagenic Agents; Protective Agents; Pyrans; Antineoplastic Agents; Flavonoids; Compounds used in a research, industrial, or household setting" OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1 347828417 Epigallocatechin_gallate CHEMBL297453 24246 DB12118 Sotatercept BE0003472 ACVR2A P27037 AVR2A_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Immunoglobulins; Serum Globulins; Immunoglobulin G; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins" 347911284 DB12121 Entospletinib BE0001316 SYK P43405 KSYK_HUMAN inhibitor 33689480 "Zheng TJ, Lofurno ER, Melrose AR, Lakshmanan HHS, Pang J, Phillips KG, Fallon ME, Kohs TCL, Ngo ATP, Shatzel JJ, Hinds MT, McCarty OJT, Aslan JE: Assessment of the effects of Syk and BTK inhibitors on GPVI-mediated platelet signaling and function. Am J Physiol Cell Physiol. 2021 May 1;320(5):C902-C915. doi: 10.1152/ajpcell.00296.2020. Epub 2021 Mar 10." Investigational Phenylmorpholines Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines "Pyrazoles; Heterocyclic Compounds, Fused-Ring" C1CN(CCO1)C1=CC=C(NC2=NC(=CN3C=CN=C23)C2=CC3=C(C=NN3)C=C2)C=C1 347828420 Syk CHEMBL3265032 DB12129 Tideglusib BE0001065 GSK3B P49841 GSK3B_HUMAN antagonist 21760986 "Martinez A, Gil C, Perez DI: Glycogen synthase kinase 3 inhibitors in the next horizon for Alzheimer's disease treatment. Int J Alzheimers Dis. 2011;2011:280502. doi: 10.4061/2011/280502. Epub 2011 Jun 30." Investigational; Withdrawn Naphthalenes Organic compounds; Benzenoids; Naphthalenes "Sulfur Compounds; Glycogen Synthase Kinase 3, antagonists & inhibitors; Thiazoles" O=C1SN(C(=O)N1CC1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1 347828428 Tideglusib CHEMBL3545157 DB12130 Lorlatinib BE0000359 ALK Q9UM73 ALK_HUMAN inhibitor Approved; Investigational Macrolactams Organic compounds; Phenylpropanoids and polyketides; Macrolactams Amines; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Amides; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Pyridines; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Organic Cation Transporter 1 Inhibitors; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; ROS1 tyrosine kinase inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Lactams; Cytochrome P-450 CYP3A Inducers C[C@H]1OC2=C(N)N=CC(=C2)C2=C(C#N)N(C)N=C2CN(C)C(=O)C2=C1C=C(F)C=C2 23119 347828429 Lorlatinib CHEMBL3286830 2103164 DB12141 Gilteritinib BE0009412 AXL P30530 UFO_HUMAN inhibitor 27775694; 26279055; 28516360 "Antar A, Otrock ZK, El-Cheikh J, Kharfan-Dabaja MA, Battipaglia G, Mahfouz R, Mohty M, Bazarbachi A: Inhibition of FLT3 in AML: a focus on sorafenib. Bone Marrow Transplant. 2017 Mar;52(3):344-351. doi: 10.1038/bmt.2016.251. Epub 2016 Oct 24.@@Thom C: Preliminary data on ASP2215: tolerability and efficacy in acute myeloid leukemia patients. Future Oncol. 2015 Sep;11(18):2499-501. doi: 10.2217/fon.15.188. Epub 2015 Aug 17.@@Mori M, Kaneko N, Ueno Y, Yamada M, Tanaka R, Saito R, Shimada I, Mori K, Kuromitsu S: Gilteritinib, a FLT3/AXL inhibitor, shows antileukemic activity in mouse models of FLT3 mutated acute myeloid leukemia. Invest New Drugs. 2017 Oct;35(5):556-565. doi: 10.1007/s10637-017-0470-z. Epub 2017 May 17." Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; fms-Like Tyrosine Kinase 3, antagonists & inhibitors; OCT1 inhibitors; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CCC1=C(NC2CCOCC2)N=C(NC2=CC=C(N3CCC(CC3)N3CCN(C)CC3)C(OC)=C2)C(=N1)C(N)=O 23399 347828438 AXL_receptor_tyrosine_kinase CHEMBL3301622 2105806 DB12141 Gilteritinib BE0000359 ALK Q9UM73 ALK_HUMAN inhibitor 27775694; 26279055; 28516360 "Antar A, Otrock ZK, El-Cheikh J, Kharfan-Dabaja MA, Battipaglia G, Mahfouz R, Mohty M, Bazarbachi A: Inhibition of FLT3 in AML: a focus on sorafenib. Bone Marrow Transplant. 2017 Mar;52(3):344-351. doi: 10.1038/bmt.2016.251. Epub 2016 Oct 24.@@Thom C: Preliminary data on ASP2215: tolerability and efficacy in acute myeloid leukemia patients. Future Oncol. 2015 Sep;11(18):2499-501. doi: 10.2217/fon.15.188. Epub 2015 Aug 17.@@Mori M, Kaneko N, Ueno Y, Yamada M, Tanaka R, Saito R, Shimada I, Mori K, Kuromitsu S: Gilteritinib, a FLT3/AXL inhibitor, shows antileukemic activity in mouse models of FLT3 mutated acute myeloid leukemia. Invest New Drugs. 2017 Oct;35(5):556-565. doi: 10.1007/s10637-017-0470-z. Epub 2017 May 17." Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; fms-Like Tyrosine Kinase 3, antagonists & inhibitors; OCT1 inhibitors; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CCC1=C(NC2CCOCC2)N=C(NC2=CC=C(N3CCC(CC3)N3CCN(C)CC3)C(OC)=C2)C(=N1)C(N)=O 23399 347828438 AXL_receptor_tyrosine_kinase CHEMBL3301622 2105806 DB12141 Gilteritinib BE0004862 HTR1A P34969 5HT7R_HUMAN inhibitor Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines "QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; fms-Like Tyrosine Kinase 3, antagonists & inhibitors; OCT1 inhibitors; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown)" CCC1=C(NC2CCOCC2)N=C(NC2=CC=C(N3CCC(CC3)N3CCN(C)CC3)C(OC)=C2)C(=N1)C(N)=O 23399 347828438 AXL_receptor_tyrosine_kinase CHEMBL3301622 2105806 DB12147 Erdafitinib BE0002131 FGFR1 P11362 FGFR1_HUMAN inhibitor 28965185; 26324363 "Nishina T, Takahashi S, Iwasawa R, Noguchi H, Aoki M, Doi T: Safety, pharmacokinetic, and pharmacodynamics of erdafitinib, a pan-fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitor, in patients with advanced or refractory solid tumors. Invest New Drugs. 2018 Jun;36(3):424-434. doi: 10.1007/s10637-017-0514-4. Epub 2017 Sep 30.@@Tabernero J, Bahleda R, Dienstmann R, Infante JR, Mita A, Italiano A, Calvo E, Moreno V, Adamo B, Gazzah A, Zhong B, Platero SJ, Smit JW, Stuyckens K, Chatterjee-Kishore M, Rodon J, Peddareddigari V, Luo FR, Soria JC: Phase I Dose-Escalation Study of JNJ-42756493, an Oral Pan-Fibroblast Growth Factor Receptor Inhibitor, in Patients With Advanced Solid Tumors. J Clin Oncol. 2015 Oct 20;33(30):3401-8. doi: 10.1200/JCO.2014.60.7341. Epub 2015 Aug 31." Approved; Investigational Alkyldiarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Tumor Suppressor Proteins; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs" COC1=CC(=CC(OC)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1 23382 347828443 Erdafitinib CHEMBL3545376 2123125 DB12147 Erdafitinib BE0000748 FGFR2 P21802 FGFR2_HUMAN inhibitor 28965185; 26324363 "Nishina T, Takahashi S, Iwasawa R, Noguchi H, Aoki M, Doi T: Safety, pharmacokinetic, and pharmacodynamics of erdafitinib, a pan-fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitor, in patients with advanced or refractory solid tumors. Invest New Drugs. 2018 Jun;36(3):424-434. doi: 10.1007/s10637-017-0514-4. Epub 2017 Sep 30.@@Tabernero J, Bahleda R, Dienstmann R, Infante JR, Mita A, Italiano A, Calvo E, Moreno V, Adamo B, Gazzah A, Zhong B, Platero SJ, Smit JW, Stuyckens K, Chatterjee-Kishore M, Rodon J, Peddareddigari V, Luo FR, Soria JC: Phase I Dose-Escalation Study of JNJ-42756493, an Oral Pan-Fibroblast Growth Factor Receptor Inhibitor, in Patients With Advanced Solid Tumors. J Clin Oncol. 2015 Oct 20;33(30):3401-8. doi: 10.1200/JCO.2014.60.7341. Epub 2015 Aug 31." Approved; Investigational Alkyldiarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Tumor Suppressor Proteins; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs" COC1=CC(=CC(OC)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1 23382 347828443 Erdafitinib CHEMBL3545376 2123125 DB12147 Erdafitinib BE0001203 FGFR4 P22455 FGFR4_HUMAN inhibitor 28965185; 26324363 "Nishina T, Takahashi S, Iwasawa R, Noguchi H, Aoki M, Doi T: Safety, pharmacokinetic, and pharmacodynamics of erdafitinib, a pan-fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitor, in patients with advanced or refractory solid tumors. Invest New Drugs. 2018 Jun;36(3):424-434. doi: 10.1007/s10637-017-0514-4. Epub 2017 Sep 30.@@Tabernero J, Bahleda R, Dienstmann R, Infante JR, Mita A, Italiano A, Calvo E, Moreno V, Adamo B, Gazzah A, Zhong B, Platero SJ, Smit JW, Stuyckens K, Chatterjee-Kishore M, Rodon J, Peddareddigari V, Luo FR, Soria JC: Phase I Dose-Escalation Study of JNJ-42756493, an Oral Pan-Fibroblast Growth Factor Receptor Inhibitor, in Patients With Advanced Solid Tumors. J Clin Oncol. 2015 Oct 20;33(30):3401-8. doi: 10.1200/JCO.2014.60.7341. Epub 2015 Aug 31." Approved; Investigational Alkyldiarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Tumor Suppressor Proteins; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs" COC1=CC(=CC(OC)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1 23382 347828443 Erdafitinib CHEMBL3545376 2123125 DB12147 Erdafitinib BE0002411 RET P07949 RET_HUMAN substrate Approved; Investigational Alkyldiarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Tumor Suppressor Proteins; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs" COC1=CC(=CC(OC)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1 23382 347828443 Erdafitinib CHEMBL3545376 2123125 DB12147 Erdafitinib BE0000453 KIT P10721 KIT_HUMAN substrate Approved; Investigational Alkyldiarylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Tumor Suppressor Proteins; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs" COC1=CC(=CC(OC)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1 23382 347828443 Erdafitinib CHEMBL3545376 2123125 DB12157 Fasinumab BE0001094 NGF P01138 NGF_HUMAN inhibitor 33459118; 33293475 "Kaplon H, Reichert JM: Antibodies to watch in 2021. MAbs. 2021 Jan-Dec;13(1):1860476. doi: 10.1080/19420862.2020.1860476.@@Cao Z, Zhou J, Long Z, Li Y, Sun J, Luo Y, Wang W: Targeting nerve growth factor, a new option for treatment of osteoarthritis: a network meta-analysis of comparative efficacy and safety with traditional drugs. Aging (Albany NY). 2020 Dec 3;13(1):1051-1070. doi: 10.18632/aging.202232. Epub 2020 Dec 3." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Sensory System Agents; Immunoglobulins; Serum Globulins; Central Nervous System Agents; Amino Acids, Peptides, and Proteins; Immunoproteins; Analgesics, Non-Narcotic; Proteins; Globulins; Blood Proteins; Peripheral Nervous System Agents; Analgesics" 347911291 Fasinumab DB12163 Sarpogrelate BE0000533 HTR2C P28335 5HT2C_HUMAN 16880620 "Muntasir HA, Takahashi J, Rashid M, Ahmed M, Komiyama T, Hossain M, Kawakami J, Nashimoto M, Nagatomo T: Site-directed mutagenesis of the serotonin 5-Hydroxytryptamine2c receptor: identification of amino acids responsible for sarpogrelate binding. Biol Pharm Bull. 2006 Aug;29(8):1645-50." Investigational Stilbenes Organic compounds; Phenylpropanoids and polyketides; Stilbenes "Cardiovascular Agents; Serotonin Agents; Dicarboxylic Acids; Central Nervous System Depressants; Neurotransmitter Agents; Hematologic Agents; Acids, Acyclic; Serotonin Receptor Antagonists; Fibrin Modulating Agents; Antidepressive Agents; Antiplatelet agents" COC1=CC(CCC2=CC=CC=C2OCC(CN(C)C)OC(=O)CCC(O)=O)=CC=C1 347828455 Sarpogrelate CHEMBL52939 DB12177 Eplivanserin BE0000533 HTR2C P28335 5HT2C_HUMAN Investigational Cinnamylphenols "Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Cinnamylphenols" "Hydrocarbons, Halogenated; Cardiovascular Agents; Serotonin Agents; Central Nervous System Depressants; Neurotransmitter Agents; Hematologic Agents; Serotonin Receptor Antagonists; Benzene Derivatives; Fibrin Modulating Agents; Antidepressive Agents; Hydrocarbons, Fluorinated" CN(C)CCO\N=C(\C=C\C1=CC=C(O)C=C1)/C1=CC=CC=C1F 347828464 Eplivanserin CHEMBL257704 DB12189 Etrolizumab BE0003414 ITGB7 P26010 ITB7_HUMAN binder 21232034; 30774593 "Stefanich EG, Danilenko DM, Wang H, O'Byrne S, Erickson R, Gelzleichter T, Hiraragi H, Chiu H, Ivelja S, Jeet S, Gadkari S, Hwang O, Fuh F, Looney C, Howell K, Albert V, Balazs M, Refino C, Fong S, Iyer S, Williams M: A humanized monoclonal antibody targeting the beta7 integrin selectively blocks intestinal homing of T lymphocytes. Br J Pharmacol. 2011 Apr;162(8):1855-70. doi: 10.1111/j.1476-5381.2011.01205.x.@@Lichnog C, Klabunde S, Becker E, Fuh F, Tripal P, Atreya R, Klenske E, Erickson R, Chiu H, Reed C, Chung S, Neufert C, Atreya I, McBride J, Neurath MF, Zundler S: Cellular Mechanisms of Etrolizumab Treatment in Inflammatory Bowel Disease. Front Pharmacol. 2019 Feb 1;10:39. doi: 10.3389/fphar.2019.00039. eCollection 2019." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Integrin Receptor Antagonist; Immunoglobulins; Serum Globulins; Immunologic Factors; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents" 347911296 Etrolizumab DB12191 Obatoclax BE0000246 BCL2 P10415 BCL2_HUMAN 17505826; 17227835 "Li J, Viallet J, Haura EB: A small molecule pan-Bcl-2 family inhibitor, GX15-070, induces apoptosis and enhances cisplatin-induced apoptosis in non-small cell lung cancer cells. Cancer Chemother Pharmacol. 2008 Mar;61(3):525-34. Epub 2007 May 16.@@Perez-Galan P, Roue G, Villamor N, Campo E, Colomer D: The BH3-mimetic GX15-070 synergizes with bortezomib in mantle cell lymphoma by enhancing Noxa-mediated activation of Bak. Blood. 2007 May 15;109(10):4441-9. Epub 2007 Jan 16." Investigational Dipyrrins Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles "Enzyme Inhibitors; Heterocyclic Compounds, Fused-Ring" COC1=CC(=N\C1=C/C1=C(C)C=C(C)N1)C1=CC2=CC=CC=C2N1 347828476 Obatoclax CHEMBL408194 DB12200 Tivantinib BE0000915 MET P08581 MET_HUMAN Investigational 3-alkylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles "Pyrrolidines; Proto-Oncogene Proteins c-met, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring" O=C1NC(=O)[C@H]([C@@H]1C1=CNC2=CC=CC=C12)C1=CN2CCCC3=C2C1=CC=C3 347828485 Tivantinib CHEMBL2103882 DB12202 Zalutumumab BE0000767 EGFR P00533 EGFR_HUMAN antagonist 15383606 "Bleeker WK, Lammerts van Bueren JJ, van Ojik HH, Gerritsen AF, Pluyter M, Houtkamp M, Halk E, Goldstein J, Schuurman J, van Dijk MA, van de Winkel JG, Parren PW: Dual mode of action of a human anti-epidermal growth factor receptor monoclonal antibody for cancer therapy. J Immunol. 2004 Oct 1;173(7):4699-707." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Antineoplastic Agents, Immunological; Amino Acids, Peptides, and Proteins; Antineoplastic Agents" 347911297 D10031 Zalutumumab CHEMBL2107861 DB12218 Capivasertib BE0000428 AKT1 P31749 AKT1_HUMAN inhibitor Approved; Investigational Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "OATP1B1/SLCO1B1 Inhibitors; OATP1B3 inhibitors; OAT3/SLC22A8 Inhibitors; Proto-Oncogene Proteins c-akt, antagonists & inhibitors; BCRP/ABCG2 Inhibitors; MATE 2 Inhibitors; Cytochrome P-450 Substrates; OCT2 Inhibitors; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; MATE 1 Inhibitors" NC1(CCN(CC1)C1=C2C=CNC2=NC=N1)C(=O)N[C@@H](CCO)C1=CC=C(Cl)C=C1 347828497 Capivasertib CHEMBL2325741 2669967 DB12218 Capivasertib BE0001172 AKT2 P31751 AKT2_HUMAN inhibitor Approved; Investigational Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "OATP1B1/SLCO1B1 Inhibitors; OATP1B3 inhibitors; OAT3/SLC22A8 Inhibitors; Proto-Oncogene Proteins c-akt, antagonists & inhibitors; BCRP/ABCG2 Inhibitors; MATE 2 Inhibitors; Cytochrome P-450 Substrates; OCT2 Inhibitors; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; MATE 1 Inhibitors" NC1(CCN(CC1)C1=C2C=CNC2=NC=N1)C(=O)N[C@@H](CCO)C1=CC=C(Cl)C=C1 347828497 Capivasertib CHEMBL2325741 2669967 DB12218 Capivasertib BE0010514 AKT3 Q9Y243 AKT3_HUMAN inhibitor Approved; Investigational Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "OATP1B1/SLCO1B1 Inhibitors; OATP1B3 inhibitors; OAT3/SLC22A8 Inhibitors; Proto-Oncogene Proteins c-akt, antagonists & inhibitors; BCRP/ABCG2 Inhibitors; MATE 2 Inhibitors; Cytochrome P-450 Substrates; OCT2 Inhibitors; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; MATE 1 Inhibitors" NC1(CCN(CC1)C1=C2C=CNC2=NC=N1)C(=O)N[C@@H](CCO)C1=CC=C(Cl)C=C1 347828497 Capivasertib CHEMBL2325741 2669967 DB12228 Telcagepant BE0009009 CALCRL Q16602 CALRL_HUMAN 20573757 "Chan KY, Edvinsson L, Eftekhari S, Kimblad PO, Kane SA, Lynch J, Hargreaves RJ, de Vries R, Garrelds IM, van den Bogaerdt AJ, Danser AH, Maassenvandenbrink A: Characterization of the calcitonin gene-related peptide receptor antagonist telcagepant (MK-0974) in human isolated coronary arteries. J Pharmacol Exp Ther. 2010 Sep 1;334(3):746-52. doi: 10.1124/jpet.110.165993. Epub 2010 Jun 23." Investigational Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" FC1=C(F)C(=CC=C1)[C@@H]1CC[C@@H](NC(=O)N2CCC(CC2)N2C(=O)NC3=C2C=CC=N3)C(=O)N(CC(F)(F)F)C1 347828507 Telcagepant CHEMBL236593 DB12228 Telcagepant BE0002370 CALCB P10092 CALCB_HUMAN Investigational Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" FC1=C(F)C(=CC=C1)[C@@H]1CC[C@@H](NC(=O)N2CCC(CC2)N2C(=O)NC3=C2C=CC=N3)C(=O)N(CC(F)(F)F)C1 347828507 Telcagepant CHEMBL236593 DB12235 Estetrol BE0000123 ESR1 P03372 ESR1_HUMAN agonist 32379217; 25214462; 28827141 "Gaspard U, Taziaux M, Mawet M, Jost M, Gordenne V, Coelingh Bennink HJT, Lobo RA, Utian WH, Foidart JM: A multicenter, randomized study to select the minimum effective dose of estetrol (E4) in postmenopausal women (E4Relief): part 1. Vasomotor symptoms and overall safety. Menopause. 2020 Aug;27(8):848-857. doi: 10.1097/GME.0000000000001561.@@Abot A, Fontaine C, Buscato M, Solinhac R, Flouriot G, Fabre A, Drougard A, Rajan S, Laine M, Milon A, Muller I, Henrion D, Adlanmerini M, Valera MC, Gompel A, Gerard C, Pequeux C, Mestdagt M, Raymond-Letron I, Knauf C, Ferriere F, Valet P, Gourdy P, Katzenellenbogen BS, Katzenellenbogen JA, Lenfant F, Greene GL, Foidart JM, Arnal JF: The uterine and vascular actions of estetrol delineate a distinctive profile of estrogen receptor alpha modulation, uncoupling nuclear and membrane activation. EMBO Mol Med. 2014 Oct;6(10):1328-46. doi: 10.15252/emmm.201404112.@@Benoit T, Valera MC, Fontaine C, Buscato M, Lenfant F, Raymond-Letron I, Tremollieres F, Soulie M, Foidart JM, Game X, Arnal JF: Estetrol, a Fetal Selective Estrogen Receptor Modulator, Acts on the Vagina of Mice through Nuclear Estrogen Receptor alpha Activation. Am J Pathol. 2017 Nov;187(11):2499-2507. doi: 10.1016/j.ajpath.2017.07.013. Epub 2017 Aug 19." Approved; Investigational Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 Substrates; Estranes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Estrogen Contraceptives; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP3A4 Substrates; Estrogens, agonists; Contraceptives, Oral; Gonadal Steroid Hormones; Estrogens; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12[C@@H](O)[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H] 23576 347828514 Estetrol CHEMBL1230314 2539031 DB12235 Estetrol BE0000792 ESR2 Q92731 ESR2_HUMAN agonist 26257704 "Montt-Guevara MM, Giretti MS, Russo E, Giannini A, Mannella P, Genazzani AR, Genazzani AD, Simoncini T: Estetrol Modulates Endothelial Nitric Oxide Synthesis in Human Endothelial Cells. Front Endocrinol (Lausanne). 2015 Jul 22;6:111. doi: 10.3389/fendo.2015.00111. eCollection 2015." Approved; Investigational Estrogens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 Substrates; Estranes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Estrogen Contraceptives; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP3A4 Substrates; Estrogens, agonists; Contraceptives, Oral; Gonadal Steroid Hormones; Estrogens; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12[C@@H](O)[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H] 23576 347828514 Estetrol CHEMBL1230314 2539031 DB12250 Cixutumumab BE0000858 IGF1R P08069 IGF1R_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Receptor, IGF Type 1; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 347911304 Cixutumumab DB12255 Vadadustat BE0002217 EGLN1 Q9GZT9 EGLN1_HUMAN inhibitor 31477256 "Sanghani NS, Haase VH: Hypoxia-Inducible Factor Activators in Renal Anemia: Current Clinical Experience. Adv Chronic Kidney Dis. 2019 Jul;26(4):253-266. doi: 10.1053/j.ackd.2019.04.004." Approved; Investigational N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "UGT1A1 Inducers; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Erythropoiesis-Stimulating Agents; Amino Acids, Peptides, and Proteins; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Amino Acids; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (weak); OAT3/SLC22A8 Inhibitors; Antianemic Preparations; UGT1A9 Substrates; UGT1A1 Substrates" OC(=O)CNC(=O)C1=C(O)C=C(C=N1)C1=CC(Cl)=CC=C1 347828530 Vadadustat CHEMBL3646221 DB12255 Vadadustat BE0002211 EGLN2 Q96KS0 EGLN2_HUMAN inhibitor 31477256 "Sanghani NS, Haase VH: Hypoxia-Inducible Factor Activators in Renal Anemia: Current Clinical Experience. Adv Chronic Kidney Dis. 2019 Jul;26(4):253-266. doi: 10.1053/j.ackd.2019.04.004." Approved; Investigational N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "UGT1A1 Inducers; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Erythropoiesis-Stimulating Agents; Amino Acids, Peptides, and Proteins; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Amino Acids; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (weak); OAT3/SLC22A8 Inhibitors; Antianemic Preparations; UGT1A9 Substrates; UGT1A1 Substrates" OC(=O)CNC(=O)C1=C(O)C=C(C=N1)C1=CC(Cl)=CC=C1 347828530 Vadadustat CHEMBL3646221 DB12255 Vadadustat BE0002219 EGLN3 Q9H6Z9 EGLN3_HUMAN inhibitor 31477256 "Sanghani NS, Haase VH: Hypoxia-Inducible Factor Activators in Renal Anemia: Current Clinical Experience. Adv Chronic Kidney Dis. 2019 Jul;26(4):253-266. doi: 10.1053/j.ackd.2019.04.004." Approved; Investigational N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "UGT1A1 Inducers; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Erythropoiesis-Stimulating Agents; Amino Acids, Peptides, and Proteins; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Amino Acids; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (weak); OAT3/SLC22A8 Inhibitors; Antianemic Preparations; UGT1A9 Substrates; UGT1A1 Substrates" OC(=O)CNC(=O)C1=C(O)C=C(C=N1)C1=CC(Cl)=CC=C1 347828530 Vadadustat CHEMBL3646221 DB12255 Vadadustat BE0002374 HIF1A Q16665 HIF1A_HUMAN stabilization 31477256 "Sanghani NS, Haase VH: Hypoxia-Inducible Factor Activators in Renal Anemia: Current Clinical Experience. Adv Chronic Kidney Dis. 2019 Jul;26(4):253-266. doi: 10.1053/j.ackd.2019.04.004." Approved; Investigational N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "UGT1A1 Inducers; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Erythropoiesis-Stimulating Agents; Amino Acids, Peptides, and Proteins; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Amino Acids; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (weak); OAT3/SLC22A8 Inhibitors; Antianemic Preparations; UGT1A9 Substrates; UGT1A1 Substrates" OC(=O)CNC(=O)C1=C(O)C=C(C=N1)C1=CC(Cl)=CC=C1 347828530 Vadadustat CHEMBL3646221 DB12255 Vadadustat BE0009679 EPAS1 Q99814 EPAS1_HUMAN stabilization 31477256 "Sanghani NS, Haase VH: Hypoxia-Inducible Factor Activators in Renal Anemia: Current Clinical Experience. Adv Chronic Kidney Dis. 2019 Jul;26(4):253-266. doi: 10.1053/j.ackd.2019.04.004." Approved; Investigational N-acyl-alpha amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "UGT1A1 Inducers; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Erythropoiesis-Stimulating Agents; Amino Acids, Peptides, and Proteins; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Amino Acids; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (weak); OAT3/SLC22A8 Inhibitors; Antianemic Preparations; UGT1A9 Substrates; UGT1A1 Substrates" OC(=O)CNC(=O)C1=C(O)C=C(C=N1)C1=CC(Cl)=CC=C1 347828530 Vadadustat CHEMBL3646221 DB12267 Brigatinib BE0000359 ALK Q9UM73 ALK_HUMAN inhibitor 23239810; 25888090; 28597393 "Ceccon M, Mologni L, Bisson W, Scapozza L, Gambacorti-Passerini C: Crizotinib-resistant NPM-ALK mutants confer differential sensitivity to unrelated Alk inhibitors. Mol Cancer Res. 2013 Feb;11(2):122-32. doi: 10.1158/1541-7786.MCR-12-0569. Epub 2012 Dec 13.@@Iragavarapu C, Mustafa M, Akinleye A, Furqan M, Mittal V, Cang S, Liu D: Novel ALK inhibitors in clinical use and development. J Hematol Oncol. 2015 Feb 27;8:17. doi: 10.1186/s13045-015-0122-8.@@Markham A: Brigatinib: First Global Approval. Drugs. 2017 Jul;77(10):1131-1135. doi: 10.1007/s40265-017-0776-3." Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1 22968 347828538 PA166163482 Brigatinib CHEMBL3545311 1921217 DB12267 Brigatinib BE0000767 EGFR P00533 EGFR_HUMAN inhibitor 23239810; 25888090; 28597393 "Ceccon M, Mologni L, Bisson W, Scapozza L, Gambacorti-Passerini C: Crizotinib-resistant NPM-ALK mutants confer differential sensitivity to unrelated Alk inhibitors. Mol Cancer Res. 2013 Feb;11(2):122-32. doi: 10.1158/1541-7786.MCR-12-0569. Epub 2012 Dec 13.@@Iragavarapu C, Mustafa M, Akinleye A, Furqan M, Mittal V, Cang S, Liu D: Novel ALK inhibitors in clinical use and development. J Hematol Oncol. 2015 Feb 27;8:17. doi: 10.1186/s13045-015-0122-8.@@Markham A: Brigatinib: First Global Approval. Drugs. 2017 Jul;77(10):1131-1135. doi: 10.1007/s40265-017-0776-3." Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1 22968 347828538 PA166163482 Brigatinib CHEMBL3545311 1921217 DB12267 Brigatinib BE0000014 ABL1 P00519 ABL1_HUMAN inhibitor 28597393; 23239810 "Markham A: Brigatinib: First Global Approval. Drugs. 2017 Jul;77(10):1131-1135. doi: 10.1007/s40265-017-0776-3.@@Ceccon M, Mologni L, Bisson W, Scapozza L, Gambacorti-Passerini C: Crizotinib-resistant NPM-ALK mutants confer differential sensitivity to unrelated Alk inhibitors. Mol Cancer Res. 2013 Feb;11(2):122-32. doi: 10.1158/1541-7786.MCR-12-0569. Epub 2012 Dec 13." Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1 22968 347828538 PA166163482 Brigatinib CHEMBL3545311 1921217 DB12267 Brigatinib BE0000858 IGF1R P08069 IGF1R_HUMAN inhibitor 23239810; 28597393 "Ceccon M, Mologni L, Bisson W, Scapozza L, Gambacorti-Passerini C: Crizotinib-resistant NPM-ALK mutants confer differential sensitivity to unrelated Alk inhibitors. Mol Cancer Res. 2013 Feb;11(2):122-32. doi: 10.1158/1541-7786.MCR-12-0569. Epub 2012 Dec 13.@@Markham A: Brigatinib: First Global Approval. Drugs. 2017 Jul;77(10):1131-1135. doi: 10.1007/s40265-017-0776-3." Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1 22968 347828538 PA166163482 Brigatinib CHEMBL3545311 1921217 DB12267 Brigatinib BE0000033 INSR P06213 INSR_HUMAN binding Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1 22968 347828538 PA166163482 Brigatinib CHEMBL3545311 1921217 DB12267 Brigatinib BE0000915 MET P08581 MET_HUMAN inhibitor Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1 22968 347828538 PA166163482 Brigatinib CHEMBL3545311 1921217 DB12267 Brigatinib BE0004772 ERBB4 Q15303 ERBB4_HUMAN inhibitor Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1 22968 347828538 PA166163482 Brigatinib CHEMBL3545311 1921217 DB12267 Brigatinib BE0000511 ERBB2 P04626 ERBB2_HUMAN inhibitor Approved; Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1 22968 347828538 PA166163482 Brigatinib CHEMBL3545311 1921217 DB12271 ORE-1001 BE0003504 CPN2 P22792 CPN2_HUMAN Investigational Histidine and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Branched-Chain" CC(C)C[C@H](N[C@@H](CC1=CN=CN1CC1=CC(Cl)=CC(Cl)=C1)C(O)=O)C(O)=O 347828542 CHEMBL429844 DB12274 Aducanumab BE0003392 APP P05067 A4_HUMAN antagonist 29686315; 33199898; 27582220 "Arndt JW, Qian F, Smith BA, Quan C, Kilambi KP, Bush MW, Walz T, Pepinsky RB, Bussiere T, Hamann S, Cameron TO, Weinreb PH: Structural and kinetic basis for the selectivity of aducanumab for aggregated forms of amyloid-beta. Sci Rep. 2018 Apr 23;8(1):6412. doi: 10.1038/s41598-018-24501-0.@@Uhlmann RE, Rother C, Rasmussen J, Schelle J, Bergmann C, Ullrich Gavilanes EM, Fritschi SK, Buehler A, Baumann F, Skodras A, Al-Shaana R, Beschorner N, Ye L, Kaeser SA, Obermuller U, Christensen S, Kartberg F, Stavenhagen JB, Rahfeld JU, Cynis H, Qian F, Weinreb PH, Bussiere T, Walker LC, Staufenbiel M, Jucker M: Acute targeting of pre-amyloid seeds in transgenic mice reduces Alzheimer-like pathology later in life. Nat Neurosci. 2020 Dec;23(12):1580-1588. doi: 10.1038/s41593-020-00737-w. Epub 2020 Nov 16.@@Sevigny J, Chiao P, Bussiere T, Weinreb PH, Williams L, Maier M, Dunstan R, Salloway S, Chen T, Ling Y, O'Gorman J, Qian F, Arastu M, Li M, Chollate S, Brennan MS, Quintero-Monzon O, Scannevin RH, Arnold HM, Engber T, Rhodes K, Ferrero J, Hang Y, Mikulskis A, Grimm J, Hock C, Nitsch RM, Sandrock A: The antibody aducanumab reduces Abeta plaques in Alzheimer's disease. Nature. 2016 Sep 1;537(7618):50-6. doi: 10.1038/nature19323." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Anti-Dementia Drugs; Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Amyloid Beta-directed Antibodies; Immunoproteins; Psychoanaleptics; Alzheimer Disease, drug therapy; Nervous System; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 347911309 Aducanumab 2557218 DB12278 Propiverine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 16406943 "Maruyama S, Oki T, Otsuka A, Shinbo H, Ozono S, Kageyama S, Mikami Y, Araki I, Takeda M, Masuyama K, Yamada S: Human muscarinic receptor binding characteristics of antimuscarinic agents to treat overactive bladder. J Urol. 2006 Jan;175(1):365-9." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cholinergic Agents; Autonomic Agents; Urological Agents; Phenylacetates; Cytochrome P-450 Substrates; Hydroxy Acids; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Acids, Carbocyclic; Adrenergic Antagonists; Urologicals; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Parasympatholytics; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Diphenylacetic Acids; Neurotransmitter Agents" CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1 22838 347828547 D08441 Propiverine CHEMBL1078261 55175 DB12278 Propiverine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 16406943 "Maruyama S, Oki T, Otsuka A, Shinbo H, Ozono S, Kageyama S, Mikami Y, Araki I, Takeda M, Masuyama K, Yamada S: Human muscarinic receptor binding characteristics of antimuscarinic agents to treat overactive bladder. J Urol. 2006 Jan;175(1):365-9." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cholinergic Agents; Autonomic Agents; Urological Agents; Phenylacetates; Cytochrome P-450 Substrates; Hydroxy Acids; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Acids, Carbocyclic; Adrenergic Antagonists; Urologicals; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Parasympatholytics; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Diphenylacetic Acids; Neurotransmitter Agents" CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1 22838 347828547 D08441 Propiverine CHEMBL1078261 55175 DB12278 Propiverine BE0000247 CHRM5 P08912 ACM5_HUMAN 16406943 "Maruyama S, Oki T, Otsuka A, Shinbo H, Ozono S, Kageyama S, Mikami Y, Araki I, Takeda M, Masuyama K, Yamada S: Human muscarinic receptor binding characteristics of antimuscarinic agents to treat overactive bladder. J Urol. 2006 Jan;175(1):365-9." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cholinergic Agents; Autonomic Agents; Urological Agents; Phenylacetates; Cytochrome P-450 Substrates; Hydroxy Acids; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Acids, Carbocyclic; Adrenergic Antagonists; Urologicals; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Parasympatholytics; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Diphenylacetic Acids; Neurotransmitter Agents" CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1 22838 347828547 D08441 Propiverine CHEMBL1078261 55175 DB12278 Propiverine BE0000430 CACNA1C Q13936 CAC1C_HUMAN antagonist 16406943 "Maruyama S, Oki T, Otsuka A, Shinbo H, Ozono S, Kageyama S, Mikami Y, Araki I, Takeda M, Masuyama K, Yamada S: Human muscarinic receptor binding characteristics of antimuscarinic agents to treat overactive bladder. J Urol. 2006 Jan;175(1):365-9." Approved; Investigational Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cholinergic Agents; Autonomic Agents; Urological Agents; Phenylacetates; Cytochrome P-450 Substrates; Hydroxy Acids; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Acids, Carbocyclic; Adrenergic Antagonists; Urologicals; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Parasympatholytics; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Diphenylacetic Acids; Neurotransmitter Agents" CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1 22838 347828547 D08441 Propiverine CHEMBL1078261 55175 DB12284 LY-2608204 BE0003382 CHEK1 O14757 CHK1_HUMAN inhibitor 32610557 "Yang CY, Liu CR, Chang IY, OuYang CN, Hsieh CH, Huang YL, Wang CI, Jan FW, Wang WL, Tsai TL, Liu H, Tseng CP, Chang YS, Wu CC, Chang KP: Cotargeting CHK1 and PI3K Synergistically Suppresses Tumor Growth of Oral Cavity Squamous Cell Carcinoma in Patient-Derived Xenografts. Cancers (Basel). 2020 Jun 29;12(7). pii: cancers12071726. doi: 10.3390/cancers12071726." Investigational Phenylacetamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetamides Sulfur Compounds; Enzyme Activators O=C(NC1=NC=C(SCCN2CCCC2)S1)[C@@]1(C[C@H]1C1CCCCC1)C1=CC=C(C=C1)S(=O)(=O)C1CC1 347828552 DB12317 Vanucizumab BE0010028 ANGPT2 O15123 ANGP2_HUMAN regulator 26938715 "Tampellini M, Sonetto C, Scagliotti GV: Novel anti-angiogenic therapeutic strategies in colorectal cancer. Expert Opin Investig Drugs. 2016;25(5):507-20. doi: 10.1517/13543784.2016.1161754. Epub 2016 Mar 24." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 347911315 Vanucizumab DB12319 Benzbromarone BE0002793 CYP2C9 P11712 CP2C9_HUMAN inhibitor 12814975; 15170332 "Locuson CW 2nd, Wahlstrom JL, Rock DA, Rock DA, Jones JP: A new class of CYP2C9 inhibitors: probing 2C9 specificity with high-affinity benzbromarone derivatives. Drug Metab Dispos. 2003 Jul;31(7):967-71.@@Locuson CW 2nd, Rock DA, Jones JP: Quantitative binding models for CYP2C9 based on benzbromarone analogues. Biochemistry. 2004 Jun 8;43(22):6948-58." Investigational; Withdrawn Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "OATP1B1/SLCO1B1 Inhibitors; Antigout Preparations; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Benzofurans; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Preparations Increasing Uric Acid Excretion; Antirheumatic Agents; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Uricosuric Agents; BSEP/ABCB11 Substrates" CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=CC=CC=C2O1 347828582 D01056 Benzbromarone CHEMBL388590 1385 DB12319 Benzbromarone BE0003536 CYP2C19 P33261 CP2CJ_HUMAN inhibitor 15615526 "Locuson CW 2nd, Suzuki H, Rettie AE, Jones JP: Charge and substituent effects on affinity and metabolism of benzbromarone-based CYP2C19 inhibitors. J Med Chem. 2004 Dec 30;47(27):6768-76." Investigational; Withdrawn Aryl-phenylketones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds "OATP1B1/SLCO1B1 Inhibitors; Antigout Preparations; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Benzofurans; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Preparations Increasing Uric Acid Excretion; Antirheumatic Agents; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Uricosuric Agents; BSEP/ABCB11 Substrates" CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=CC=CC=C2O1 347828582 D01056 Benzbromarone CHEMBL388590 1385 DB12323 Radotinib BE0000014 ABL1 P00519 ABL1_HUMAN antagonist 24705186 "Kim SH, Menon H, Jootar S, Saikia T, Kwak JY, Sohn SK, Park JS, Jeong SH, Kim HJ, Kim YK, Oh SJ, Kim H, Zang DY, Chung JS, Shin HJ, Do YR, Kim JA, Kim DY, Choi CW, Park S, Park HL, Lee GY, Cho DJ, Shin JS, Kim DW: Efficacy and safety of radotinib in chronic phase chronic myeloid leukemia patients with resistance or intolerance to BCR-ABL1 tyrosine kinase inhibitors. Haematologica. 2014 Jul;99(7):1191-6. doi: 10.3324/haematol.2013.096776. Epub 2014 Apr 4." Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "Benzoates; Acids, Carbocyclic; Tyrosine Kinase Inhibitors; Amides; Benzene Derivatives" CC1=CN(C=N1)C1=CC(NC(=O)C2=CC=C(C)C(NC3=NC=CC(=N3)C3=CN=CC=N3)=C2)=CC(=C1)C(F)(F)F 347828586 Radotinib DB12328 Cantharidin BE0003721 AHR P35869 AHR_HUMAN agonist 14644660 "Zhang S, Qin C, Safe SH: Flavonoids as aryl hydrocarbon receptor agonists/antagonists: effects of structure and cell context. Environ Health Perspect. 2003 Dec;111(16):1877-82." Approved; Investigational Furofurans Organic compounds; Organoheterocyclic compounds; Furofurans "Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Irritants; Benzofurans; Toxic Actions; Noxae; Compounds used in a research, industrial, or household setting" [H][C@]12CC[C@]([H])(O1)[C@]1(C)C(=O)OC(=O)[C@]21C 4322 347828590 Cantharidin CHEMBL48449 1984 DB12332 Rucaparib BE0001717 PARP1 P09874 PARP1_HUMAN inhibitor 28790837; 27087632 "Dockery LE, Gunderson CC, Moore KN: Rucaparib: the past, present, and future of a newly approved PARP inhibitor for ovarian cancer. Onco Targets Ther. 2017 Jun 19;10:3029-3037. doi: 10.2147/OTT.S114714. eCollection 2017.@@Jenner ZB, Sood AK, Coleman RL: Evaluation of rucaparib and companion diagnostics in the PARP inhibitor landscape for recurrent ovarian cancer therapy. Future Oncol. 2016 Jun;12(12):1439-56. doi: 10.2217/fon-2016-0002. Epub 2016 Apr 18." Approved; Investigational 2-phenylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (weak); Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Poly (ADP-ribose) polymerase (PARP) inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Poly(ADP-ribose) Polymerase Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; OCT1 inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Inducers (moderate); Cytochrome P-450 CYP1A2 Substrates" CNCC1=CC=C(C=C1)C1=C2CCNC(=O)C3=C2C(N1)=CC(F)=C3 347828593 D10079 PA166163418 Rucaparib CHEMBL1173055 1862579 DB12332 Rucaparib BE0003798 PARP2 Q9UGN5 PARP2_HUMAN inhibitor 28790837; 27087632 "Dockery LE, Gunderson CC, Moore KN: Rucaparib: the past, present, and future of a newly approved PARP inhibitor for ovarian cancer. Onco Targets Ther. 2017 Jun 19;10:3029-3037. doi: 10.2147/OTT.S114714. eCollection 2017.@@Jenner ZB, Sood AK, Coleman RL: Evaluation of rucaparib and companion diagnostics in the PARP inhibitor landscape for recurrent ovarian cancer therapy. Future Oncol. 2016 Jun;12(12):1439-56. doi: 10.2217/fon-2016-0002. Epub 2016 Apr 18." Approved; Investigational 2-phenylindoles Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (weak); Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Poly (ADP-ribose) polymerase (PARP) inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Poly(ADP-ribose) Polymerase Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; OCT1 inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Inducers (moderate); Cytochrome P-450 CYP1A2 Substrates" CNCC1=CC=C(C=C1)C1=C2CCNC(=O)C3=C2C(N1)=CC(F)=C3 347828593 D10079 PA166163418 Rucaparib CHEMBL1173055 1862579 DB12334 Milataxel BE0000026 TUBB1 Q9H4B7 TBB1_HUMAN 16505100 "Hari M, Loganzo F, Annable T, Tan X, Musto S, Morilla DB, Nettles JH, Snyder JP, Greenberger LM: Paclitaxel-resistant cells have a mutation in the paclitaxel-binding region of beta-tubulin (Asp26Glu) and less stable microtubules. Mol Cancer Ther. 2006 Feb;5(2):270-8." Investigational Taxanes and derivatives Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids Cycloparaffins; Diterpenes; Cyclodecanes; Taxoids; Terpenes CCC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C4=CC=CO4)C(C)=C([C@@H](O)C(=O)[C@]12C)C3(C)C 347828594 Milataxel DB12339 Radezolid BE0003466 RRBP1 Q9P2E9 RRBP1_HUMAN inhibitor 33762722 "Shriwas O, Arya R, Mohanty S, Mohapatra P, Kumar S, Rath R, Kaushik SR, Pahwa F, Murmu KC, Majumdar SKD, Muduly DK, Dixit A, Prasad P, Nanda RK, Dash R: RRBP1 rewires cisplatin resistance in oral squamous cell carcinoma by regulating Hippo pathway. Br J Cancer. 2021 Jun;124(12):2004-2016. doi: 10.1038/s41416-021-01336-7. Epub 2021 Mar 24." Investigational Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives Anti-Bacterial Agents; Anti-Infective Agents; Oxazoles CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC=C(C(F)=C1)C1=CC=C(CNCC2=CN=NN2)C=C1 347828598 Radezolid CHEMBL455461 DB12340 Navitoclax BE0000246 BCL2 P10415 BCL2_HUMAN inhibitor 25754349 "Hoffman-Luca CG, Ziazadeh D, McEachern D, Zhao Y, Sun W, Debussche L, Wang S: Elucidation of Acquired Resistance to Bcl-2 and MDM2 Inhibitors in Acute Leukemia In Vitro and In Vivo. Clin Cancer Res. 2015 Jun 1;21(11):2558-68. doi: 10.1158/1078-0432.CCR-14-2506. Epub 2015 Mar 9." Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Amines; Sulfones; Sulfur Compounds; Amides; Antineoplastic Agents [H][C@@](CCN1CCOCC1)(CSC1=CC=CC=C1)NC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C1=CC=C(C=C1)N1CCN(CC2=C(CCC(C)(C)C2)C2=CC=C(Cl)C=C2)CC1)S(=O)(=O)C(F)(F)F 347828599 Navitoclax CHEMBL443684 DB12340 Navitoclax BE0003421 BAD Q92934 BAD_HUMAN Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Amines; Sulfones; Sulfur Compounds; Amides; Antineoplastic Agents [H][C@@](CCN1CCOCC1)(CSC1=CC=CC=C1)NC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C1=CC=C(C=C1)N1CCN(CC2=C(CCC(C)(C)C2)C2=CC=C(Cl)C=C2)CC1)S(=O)(=O)C(F)(F)F 347828599 Navitoclax CHEMBL443684 DB12364 Betrixaban BE0000216 F10 P00742 FA10_HUMAN inhibitor 23487517; 19297154; 26170684; 25673997 "Connolly SJ, Eikelboom J, Dorian P, Hohnloser SH, Gretler DD, Sinha U, Ezekowitz MD: Betrixaban compared with warfarin in patients with atrial fibrillation: results of a phase 2, randomized, dose-ranging study (Explore-Xa). Eur Heart J. 2013 May;34(20):1498-505. doi: 10.1093/eurheartj/eht039. Epub 2013 Mar 13.@@Zhang P, Huang W, Wang L, Bao L, Jia ZJ, Bauer SM, Goldman EA, Probst GD, Song Y, Su T, Fan J, Wu Y, Li W, Woolfrey J, Sinha U, Wong PW, Edwards ST, Arfsten AE, Clizbe LA, Kanter J, Pandey A, Park G, Hutchaleelaha A, Lambing JL, Hollenbach SJ, Scarborough RM, Zhu BY: Discovery of betrixaban (PRT054021), N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-methoxybenz amide, a highly potent, selective, and orally efficacious factor Xa inhibitor. Bioorg Med Chem Lett. 2009 Apr 15;19(8):2179-85. doi: 10.1016/j.bmcl.2009.02.111. Epub 2009 Mar 3.@@Chan NC, Bhagirath V, Eikelboom JW: Profile of betrixaban and its potential in the prevention and treatment of venous thromboembolism. Vasc Health Risk Manag. 2015 Jun 26;11:343-51. doi: 10.2147/VHRM.S63060. eCollection 2015.@@Cabral KP, Ansell JE: The role of factor Xa inhibitors in venous thromboembolism treatment. Vasc Health Risk Manag. 2015 Jan 30;11:117-23. doi: 10.2147/VHRM.S39726. eCollection 2015." Approved; Investigational Benzanilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "Protease Inhibitors; Serine Protease Inhibitors; Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Blood and Blood Forming Organs; Anticoagulants; Factor Xa Inhibitors; Hematologic Agents; Amides; Direct factor Xa inhibitors; Benzene Derivatives; P-glycoprotein substrates; Antithrombins" COC1=CC=C(NC(=O)C2=CC=C(C=C2)C(=N)N(C)C)C(=C1)C(=O)NC1=CC=C(Cl)C=N1 347828616 Betrixaban CHEMBL512351 1927851 DB12371 Siponimod BE0002432 S1PR5 Q9H228 S1PR5_HUMAN modulator 29138536; 29735753; 26856814 "Gajofatto A: Spotlight on siponimod and its potential in the treatment of secondary progressive multiple sclerosis: the evidence to date. Drug Des Devel Ther. 2017 Nov 2;11:3153-3157. doi: 10.2147/DDDT.S122249. eCollection 2017.@@Glaenzel U, Jin Y, Nufer R, Li W, Schroer K, Adam-Stitah S, Peter van Marle S, Legangneux E, Borell H, James AD, Meissner A, Camenisch G, Gardin A: Metabolism and Disposition of Siponimod, a Novel Selective S1P1/S1P5 Agonist, in Healthy Volunteers and In Vitro Identification of Human Cytochrome P450 Enzymes Involved in Its Oxidative Metabolism. Drug Metab Dispos. 2018 Jul;46(7):1001-1013. doi: 10.1124/dmd.117.079574. Epub 2018 May 7.@@O'Sullivan C, Schubart A, Mir AK, Dev KK: The dual S1PR1/S1PR5 drug BAF312 (Siponimod) attenuates demyelination in organotypic slice cultures. J Neuroinflammation. 2016 Feb 8;13:31. doi: 10.1186/s12974-016-0494-x." Approved; Investigational Trifluoromethylbenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes "Immunomodulatory Agents; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Immunotherapy; Cytochrome P-450 Substrates; Immunologic Factors; Sphingosine 1 Phosphate Receptor Modulators; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Selective Immunosuppressants; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Receptors, Lysosphingolipid, antagonists & inhibitors; Narrow Therapeutic Index Drugs; Sphingosine 1-phosphate Receptor Modulator; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Azetines" CCC1=CC(=CC=C1CN1CC(C1)C(O)=O)C(\C)=N\OCC1=CC=C(C2CCCCC2)C(=C1)C(F)(F)F 23426 347828622 Siponimod CHEMBL2336071 2121085 DB12379 Indirubin BE0003721 AHR P35869 AHR_HUMAN agonist 15056799; 25329374 "Adachi J, Mori Y, Matsui S, Matsuda T: Comparison of gene expression patterns between 2,3,7,8-tetrachlorodibenzo-p-dioxin and a natural arylhydrocarbon receptor ligand, indirubin. Toxicol Sci. 2004 Jul;80(1):161-9. Epub 2004 Mar 31.@@Perkins A, Phillips JL, Kerkvliet NI, Tanguay RL, Perdew GH, Kolluri SK, Bisson WH: A Structural Switch between Agonist and Antagonist Bound Conformations for a Ligand-Optimized Model of the Human Aryl Hydrocarbon Receptor Ligand Binding Domain. Biology (Basel). 2014 Oct 17;3(4):645-69. doi: 10.3390/biology3040645." Investigational Indolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines "Coloring Agents; Heterocyclic Compounds, Fused-Ring; Antibiotics, Antineoplastic; Leukemia, Myelogenous, Chronic, BCR-ABL Positive; Antineoplastic Agents; Protein Kinase Inhibitors; Compounds used in a research, industrial, or household setting" O=C1NC2=C(C=CC=C2)\C1=C1/NC2=C(C=CC=C2)C1=O 347828627 Indirubin DB12404 Remimazolam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved; Investigational "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "GABA Agents; Benzazepines; Heterocyclic Compounds, Fused-Ring; Hypnotics and Sedatives; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Tranquilizing Agents; Benzodiazepine hypnotics and sedatives; GABA Modulators; Nervous System; Psycholeptics" COC(=O)CC[C@@H]1N=C(C2=CC=CC=N2)C2=CC(Br)=CC=C2N2C(C)=CN=C12 347828650 Remimazolam CHEMBL4297526 2383941 DB12418 Saccharin BE0003625 CA3 P07451 CAH3_HUMAN inhibitor 17826101 "Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25." Investigational Benzothiazoles Organic compounds; Organoheterocyclic compounds; Benzothiazoles "Flavoring Agents; Physiological Phenomena; Heterocyclic Compounds, Fused-Ring; Thiazoles; Diet, Food, and Nutrition; Food; Sulfur Compounds; Food Additives; Food Ingredients; Benzothiazoles; Sweetening Agents; Compounds used in a research, industrial, or household setting" O=C1NS(=O)(=O)C2=C1C=CC=C2 347828662 Saccharin CHEMBL310671 9509 DB12436 Vofopitant BE0000384 TACR1 P25103 NK1R_HUMAN 21229983 "Di Fabio R, Alvaro G, Griffante C, Pizzi DA, Donati D, Mattioli M, Cimarosti Z, Guercio G, Marchioro C, Provera S, Zonzini L, Montanari D, Melotto S, Gerrard PA, Trist DG, Ratti E, Corsi M: Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2- methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clinical candidate. J Med Chem. 2011 Feb 24;54(4):1071-9. doi: 10.1021/jm1013264. Epub 2011 Jan 13." Investigational Phenylpiperidines Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines Central Nervous System Agents; Neurokinin-1 Receptor Antagonists; Neurotransmitter Agents; Antiemetics; Gastrointestinal Agents; Peripheral Nervous System Agents; Autonomic Agents COC1=CC=C(C=C1CN[C@H]1CCCN[C@H]1C1=CC=CC=C1)N1N=NN=C1C(F)(F)F 347828678 Vofopitant CHEMBL522302 DB12442 Alvespimycin BE0001120 HSP90AA1 P07900 HS90A_HUMAN inhibitor 17139284; 17016423; 10592235 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Investigational Macrolactams Organic compounds; Phenylpropanoids and polyketides; Macrolactams Quinones; Lactams; HSP90 Heat-Shock Proteins; Amides CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O 347828683 17-Dimethylaminoethylamino-17-demethoxygeldanamycin CHEMBL383824 DB12450 Propyl Gallate BE0000123 ESR1 P03372 ESR1_HUMAN 19063592 "Amadasi A, Mozzarelli A, Meda C, Maggi A, Cozzini P: Identification of xenoestrogens in food additives by an integrated in silico and in vitro approach. Chem Res Toxicol. 2009 Jan;22(1):52-63. doi: 10.1021/tx800048m." Investigational Galloyl esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Antioxidants; Biological Factors; Benzoates; Acids, Carbocyclic; Hydroxy Acids; Phenols; Protective Agents; Hydroxybenzoates; Benzene Derivatives; Compounds used in a research, industrial, or household setting" CCCOC(=O)C1=CC(O)=C(O)C(O)=C1 347828691 CHEMBL7983 1311134 DB12457 Rimegepant BE0009009 CALCRL Q16602 CALRL_HUMAN antagonist 31291516; 31081399 "Lipton RB, Croop R, Stock EG, Stock DA, Morris BA, Frost M, Dubowchik GM, Conway CM, Coric V, Goadsby PJ: Rimegepant, an Oral Calcitonin Gene-Related Peptide Receptor Antagonist, for Migraine. N Engl J Med. 2019 Jul 11;381(2):142-149. doi: 10.1056/NEJMoa1811090.@@Negro A, Martelletti P: Gepants for the treatment of migraine. Expert Opin Investig Drugs. 2019 Jun;28(6):555-567. doi: 10.1080/13543784.2019.1618830. Epub 2019 May 17." Approved; Investigational Imidazopyridines Organic compounds; Organoheterocyclic compounds; Imidazopyridines OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Calcitonin Gene-Related Peptide (CGRP) Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); MATE 1 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; BCRP/ABCG2 Substrates; OATP1B3 inhibitors; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Migraine Disorders; Analgesics; OAT3/SLC22A8 Inhibitors; Calcitonin Gene-Related Peptide Receptor Antagonists; Cytochrome P-450 CYP2C9 Substrates; Antimigraine Preparations; Nervous System N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)N2C(=O)NC3=NC=CC=C23)C2=C1C=CC=N2)C1=C(F)C(F)=CC=C1 23905 347828697 Rimegepant CHEMBL2178422 2282307 DB12458 Muscimol BE0000795 GABRA1 P14867 GBRA1_HUMAN 22029276 "Stewart DS, Savechenkov PY, Dostalova Z, Chiara DC, Ge R, Raines DE, Cohen JB, Forman SA, Bruzik KS, Miller KW: p-(4-Azipentyl)propofol: a potent photoreactive general anesthetic derivative of propofol. J Med Chem. 2011 Dec 8;54(23):8124-35. doi: 10.1021/jm200943f. Epub 2011 Nov 10." Investigational Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "GABA Agents; Biological Factors; GABA Agonists; Mycotoxins; Neurotransmitter Agents; Toxins, Biological; GABA-A Receptor Agonists; Oxazoles" NCC1=CC(=O)NO1 347828698 Muscimol CHEMBL273481 DB12458 Muscimol BE0002345 GABRB3 P28472 GBRB3_HUMAN 22029276 "Stewart DS, Savechenkov PY, Dostalova Z, Chiara DC, Ge R, Raines DE, Cohen JB, Forman SA, Bruzik KS, Miller KW: p-(4-Azipentyl)propofol: a potent photoreactive general anesthetic derivative of propofol. J Med Chem. 2011 Dec 8;54(23):8124-35. doi: 10.1021/jm200943f. Epub 2011 Nov 10." Investigational Aralkylamines Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines "GABA Agents; Biological Factors; GABA Agonists; Mycotoxins; Neurotransmitter Agents; Toxins, Biological; GABA-A Receptor Agonists; Oxazoles" NCC1=CC(=O)NO1 347828698 Muscimol CHEMBL273481 DB12478 Piribedil BE0000581 DRD3 P35462 DRD3_HUMAN 10728880 "Millan MJ, Girardon S, Monneyron S, Dekeyne A: Discriminative stimulus properties of the dopamine D3 receptor agonists, PD128,907 and 7-OH-DPAT: a comparative characterization with novel ligands at D3 versus D2 receptors. Neuropharmacology. 2000 Feb 14;39(4):586-98." Investigational N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Nonergot-derivative Dopamine Receptor Agonists; Anti-Parkinson Drugs; Central Nervous System Agents; Piperazines; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents; Dopamine Agonists C(N1CCN(CC1)C1=NC=CC=N1)C1=CC2=C(OCO2)C=C1 347828716 Piribedil CHEMBL1371770 8353 DB12483 Copanlisib BE0002379 PIK3CA P42336 PK3CA_HUMAN inhibitor 30147333; 29127587 "Mensah FA, Blaize JP, Bryan LJ: Spotlight on copanlisib and its potential in the treatment of relapsed/refractory follicular lymphoma: evidence to date. Onco Targets Ther. 2018 Aug 13;11:4817-4827. doi: 10.2147/OTT.S142264. eCollection 2018.@@Markham A: Copanlisib: First Global Approval. Drugs. 2017 Dec;77(18):2057-2062. doi: 10.1007/s40265-017-0838-6." Approved; Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; Phosphatidylinositol-3-kinase (Pi3K) inhibitors; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates" COC1=C(OCCCN2CCOCC2)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21 347828721 Copanlisib CHEMBL3218576 1945077 DB12483 Copanlisib BE0002406 PIK3CD O00329 PK3CD_HUMAN inhibitor 30147333; 29127587 "Mensah FA, Blaize JP, Bryan LJ: Spotlight on copanlisib and its potential in the treatment of relapsed/refractory follicular lymphoma: evidence to date. Onco Targets Ther. 2018 Aug 13;11:4817-4827. doi: 10.2147/OTT.S142264. eCollection 2018.@@Markham A: Copanlisib: First Global Approval. Drugs. 2017 Dec;77(18):2057-2062. doi: 10.1007/s40265-017-0838-6." Approved; Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; Phosphatidylinositol-3-kinase (Pi3K) inhibitors; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates" COC1=C(OCCCN2CCOCC2)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21 347828721 Copanlisib CHEMBL3218576 1945077 DB12483 Copanlisib BE0002407 PIK3CB P42338 PK3CB_HUMAN inhibitor 29127587; 30147333 "Markham A: Copanlisib: First Global Approval. Drugs. 2017 Dec;77(18):2057-2062. doi: 10.1007/s40265-017-0838-6.@@Mensah FA, Blaize JP, Bryan LJ: Spotlight on copanlisib and its potential in the treatment of relapsed/refractory follicular lymphoma: evidence to date. Onco Targets Ther. 2018 Aug 13;11:4817-4827. doi: 10.2147/OTT.S142264. eCollection 2018." Approved; Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; Phosphatidylinositol-3-kinase (Pi3K) inhibitors; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates" COC1=C(OCCCN2CCOCC2)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21 347828721 Copanlisib CHEMBL3218576 1945077 DB12483 Copanlisib BE0001315 PIK3CG P48736 PK3CG_HUMAN inhibitor 29127587; 30147333 "Markham A: Copanlisib: First Global Approval. Drugs. 2017 Dec;77(18):2057-2062. doi: 10.1007/s40265-017-0838-6.@@Mensah FA, Blaize JP, Bryan LJ: Spotlight on copanlisib and its potential in the treatment of relapsed/refractory follicular lymphoma: evidence to date. Onco Targets Ther. 2018 Aug 13;11:4817-4827. doi: 10.2147/OTT.S142264. eCollection 2018." Approved; Investigational Quinazolinamines Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines "Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; Phosphatidylinositol-3-kinase (Pi3K) inhibitors; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates" COC1=C(OCCCN2CCOCC2)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21 347828721 Copanlisib CHEMBL3218576 1945077 DB12499 Clascoterone BE0000132 AR P10275 ANDR_HUMAN antagonist 15646372; 30811143; 31141847 "Celasco G, Moro L, Bozzella R, Ferraboschi P, Bartorelli L, Quattrocchi C, Nicoletti F: Biological profile of cortexolone 17alpha-propionate (CB-03-01), a new topical and peripherally selective androgen antagonist. Arzneimittelforschung. 2004;54(12):881-6. doi: 10.1055/s-0031-1297043.@@Rosette C, Rosette N, Mazzetti A, Moro L, Gerloni M: Cortexolone 17alpha-Propionate (Clascoterone) is an Androgen Receptor Antagonist in Dermal Papilla Cells In Vitro J Drugs Dermatol. 2019 Feb 1;18(2):197-201.@@Rosette C, Agan FJ, Mazzetti A, Moro L, Gerloni M: Cortexolone 17alpha-propionate (Clascoterone) Is a Novel Androgen Receptor Antagonist that Inhibits Production of Lipids and Inflammatory Cytokines from Sebocytes In Vitro J Drugs Dermatol. 2019 May 1;18(5):412-418." Approved; Investigational 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Anti-Acne Preparations for Topical Use; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Cytochrome P-450 CYP2D6 Inhibitors; Pregnenes; 17-Hydroxycorticosteroids; Cytochrome P-450 CYP2D6 Inhibitors (weak); Dermatologicals; Cytochrome P-450 CYP3A4 Inhibitors (weak); Anti-Acne Preparations; Cytochrome P-450 CYP2C8 Inhibitors; Androgen Receptor Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); Fatty Acids; Hydroxycorticosteroids; Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Fatty Acids, Volatile; Fused-Ring Compounds; Antiandrogens; Adrenal Cortex Hormones; Cytochrome P-450 CYP2B6 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Lipids; Acids, Acyclic; Androgen Receptor Antagonists; Cytochrome P-450 CYP2E1 Inhibitors; Pregnenediones; Cytochrome P-450 CYP2C19 Inhibitors; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](OC(=O)CC)(C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 23861 347828732 Clascoterone CHEMBL3590187 2474340 DB12500 Fedratinib BE0002408 JAK2 O60674 JAK2_HUMAN inhibitor 21220608; 27473820 "Pardanani A, Gotlib JR, Jamieson C, Cortes JE, Talpaz M, Stone RM, Silverman MH, Gilliland DG, Shorr J, Tefferi A: Safety and efficacy of TG101348, a selective JAK2 inhibitor, in myelofibrosis. J Clin Oncol. 2011 Mar 1;29(7):789-96. doi: 10.1200/JCO.2010.32.8021. Epub 2011 Jan 10.@@Roskoski R Jr: Janus kinase (JAK) inhibitors in the treatment of inflammatory and neoplastic diseases. Pharmacol Res. 2016 Sep;111:784-803. doi: 10.1016/j.phrs.2016.07.038. Epub 2016 Jul 26." Approved; Investigational Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Genito Urinary System and Sex Hormones; Janus Kinase Inhibitor; P-glycoprotein substrates; Sulfonamides; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds CC1=CN=C(NC2=CC=C(OCCN3CCCC3)C=C2)N=C1NC1=CC=CC(=C1)S(=O)(=O)NC(C)(C)C 23489 347828733 PA166280361 Fedratinib CHEMBL1287853 2197490 DB12500 Fedratinib BE0004145 JAK1 P23458 JAK1_HUMAN inhibitor 27473820 Roskoski R Jr: Janus kinase (JAK) inhibitors in the treatment of inflammatory and neoplastic diseases. Pharmacol Res. 2016 Sep;111:784-803. doi: 10.1016/j.phrs.2016.07.038. Epub 2016 Jul 26. Approved; Investigational Benzenesulfonamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Genito Urinary System and Sex Hormones; Janus Kinase Inhibitor; P-glycoprotein substrates; Sulfonamides; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds CC1=CN=C(NC2=CC=C(OCCN3CCCC3)C=C2)N=C1NC1=CC=CC(=C1)S(=O)(=O)NC(C)(C)C 23489 347828733 PA166280361 Fedratinib CHEMBL1287853 2197490 DB12513 Omaveloxolone BE0004756 KEAP1 Q14145 KEAP1_HUMAN inhibitor 29538645; 35052661 "Shekh-Ahmad T, Eckel R, Dayalan Naidu S, Higgins M, Yamamoto M, Dinkova-Kostova AT, Kovac S, Abramov AY, Walker MC: KEAP1 inhibition is neuroprotective and suppresses the development of epilepsy. Brain. 2018 May 1;141(5):1390-1403. doi: 10.1093/brain/awy071.@@Parsons ALM, Bucknor EMV, Castroflorio E, Soares TR, Oliver PL, Rial D: The Interconnected Mechanisms of Oxidative Stress and Neuroinflammation in Epilepsy. Antioxidants (Basel). 2022 Jan 14;11(1):157. doi: 10.3390/antiox11010157." Approved; Investigational Cyclohexenones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Oxidation-Reduction Agent; Cytochrome P-450 CYP2C8 Inducers; Antioxidants; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Anti-Inflammatory Agents; Triterpenes; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Terpenes; Cytochrome P-450 CYP2C8 Substrates CC(F)(F)C(=O)N[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 347828744 Omaveloxolone CHEMBL4303525 2631931 DB12520 Plozalizumab BE0003387 CCR2 P41597 CCR2_HUMAN Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 347911340 Plozalizumab DB12537 "1,2-Benzodiazepine" BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved; Investigational Benzodiazepines Organic compounds; Organoheterocyclic compounds; Benzodiazepines "Benzazepines; Heterocyclic Compounds, Fused-Ring; Central Nervous System Depressants; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Benzodiazepines, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates" N1N=CC=CC2=CC=CC=C12 347828763 Benzodiazepine CHEMBL4297264 DB12543 Samidorphan BE0000770 OPRM1 P35372 OPRM_HUMAN antagonist Approved; Investigational Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Opioid Antagonists; Cytochrome P-450 CYP2C8 Substrates; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Phenanthrenes; Morphinans; Central Nervous System Agents; Nervous System; Opiate Alkaloids" NC(=O)C1=CC=C2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)C2=C1O 347828769 Samidorphan CHEMBL426084 2559612 DB12543 Samidorphan BE0000420 OPRD1 P41143 OPRD_HUMAN partial agonist Approved; Investigational Phenanthrenes and derivatives Organic compounds; Benzenoids; Phenanthrenes and derivatives "Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Opioid Antagonists; Cytochrome P-450 CYP2C8 Substrates; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Phenanthrenes; Morphinans; Central Nervous System Agents; Nervous System; Opiate Alkaloids" NC(=O)C1=CC=C2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)C2=C1O 347828769 Samidorphan CHEMBL426084 2559612 DB12556 MK-5108 BE0000991 AURKA O14965 AURKA_HUMAN regulator 26732741 "de Groot CO, Hsia JE, Anzola JV, Motamedi A, Yoon M, Wong YL, Jenkins D, Lee HJ, Martinez MB, Davis RL, Gahman TC, Desai A, Shiau AK: A Cell Biologist's Field Guide to Aurora Kinase Inhibitors. Front Oncol. 2015 Dec 21;5:285. doi: 10.3389/fonc.2015.00285. eCollection 2015." Investigational Phenol ethers Organic compounds; Benzenoids; Phenol ethers "Cycloparaffins; Acids, Carbocyclic; Sulfur Compounds; Cyclohexanes; Protein Kinase Inhibitors" OC(=O)[C@@]1(CC2=CC=CC(NC3=NC=CS3)=N2)CC[C@@H](CC1)OC1=C(F)C(Cl)=CC=C1 347828780 CHEMBL3600873 DB12565 Abexinostat BE0002365 HDAC1 Q13547 HDAC1_HUMAN Investigational Benzofurans Organic compounds; Organoheterocyclic compounds; Benzofurans "Heterocyclic Compounds, Fused-Ring; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Histone Deacetylase Inhibitors; Hydroxy Acids; Hydroxylamines; Moderate Risk QTc-Prolonging Agents; Antineoplastic Agents" CN(C)CC1=C(OC2=CC=CC=C12)C(=O)NCCOC1=CC=C(C=C1)C(=O)NO 347828788 Abexinostat CHEMBL2103863 DB12565 Abexinostat BE0008667 HDAC1 Q9UKV0 HDAC9_HUMAN inhibitor 32503121 "Curreli F, Ahmed S, Victor SMB, Debnath AK: Identification of Combinations of Protein Kinase C Activators and Histone Deacetylase Inhibitors That Potently Reactivate Latent HIV. Viruses. 2020 Jun 3;12(6). pii: v12060609. doi: 10.3390/v12060609." Investigational Benzofurans Organic compounds; Organoheterocyclic compounds; Benzofurans "Heterocyclic Compounds, Fused-Ring; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Histone Deacetylase Inhibitors; Hydroxy Acids; Hydroxylamines; Moderate Risk QTc-Prolonging Agents; Antineoplastic Agents" CN(C)CC1=C(OC2=CC=CC=C12)C(=O)NCCOC1=CC=C(C=C1)C(=O)NO 347828788 Abexinostat CHEMBL2103863 DB12597 Asciminib BE0000014 ABL1 P00519 ABL1_HUMAN inhibitor Approved; Investigational Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; UGT2B17 substrates; Protein Kinase Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; OCT1 inhibitors; Cytochrome P-450 CYP2C19 Inhibitors O[C@@H]1CCN(C1)C1=C(C=C(C=N1)C(=O)NC1=CC=C(OC(F)(F)Cl)C=C1)C1=CC=NN1 23749 347828815 PA166268841 Asciminib CHEMBL4208229 2584304 DB12598 Nafamostat BE0000216 F10 P00742 FA10_HUMAN inhibitor 22251267 "Baek NN, Jang HR, Huh W, Kim YG, Kim DJ, Oh HY, Lee JE: The role of nafamostat mesylate in continuous renal replacement therapy among patients at high risk of bleeding. Ren Fail. 2012;34(3):279-85. doi: 10.3109/0886022X.2011.647293. Epub 2012 Jan 17." Investigational Guanidinobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Protease Inhibitors; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Anticoagulants; Fibrinolysin, antagonists & inhibitors; OCT2 Substrates; OCT1 substrates; Immunologic Factors; Complement Inactivating Agents; Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Serine Protease Inhibitors; Trypsin Inhibitors; Amidines; Kallikreins, antagonists & inhibitors; Hematologic Agents; Antirheumatic Agents" NC(=N)NC1=CC=C(C=C1)C(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(N)=N 347828816 Nafamostat CHEMBL273264 DB12598 Nafamostat BE0001085 ICAM1 P05362 ICAM1_HUMAN inhibitor 25954127 "Kang MW, Song HJ, Kang SK, Kim Y, Jung SB, Jee S, Moon JY, Suh KS, Lee SD, Jeon BH, Kim CS: Nafamostat Mesilate Inhibits TNF-alpha-Induced Vascular Endothelial Cell Dysfunction by Inhibiting Reactive Oxygen Species Production. Korean J Physiol Pharmacol. 2015 May;19(3):229-34. doi: 10.4196/kjpp.2015.19.3.229. Epub 2015 Apr 30." Investigational Guanidinobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Protease Inhibitors; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Anticoagulants; Fibrinolysin, antagonists & inhibitors; OCT2 Substrates; OCT1 substrates; Immunologic Factors; Complement Inactivating Agents; Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Serine Protease Inhibitors; Trypsin Inhibitors; Amidines; Kallikreins, antagonists & inhibitors; Hematologic Agents; Antirheumatic Agents" NC(=N)NC1=CC=C(C=C1)C(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(N)=N 347828816 Nafamostat CHEMBL273264 DB12611 PF-477736 BE0003382 CHEK1 O14757 CHK1_HUMAN inhibitor 32610557 "Yang CY, Liu CR, Chang IY, OuYang CN, Hsieh CH, Huang YL, Wang CI, Jan FW, Wang WL, Tsai TL, Liu H, Tseng CP, Chang YS, Wu CC, Chang KP: Cotargeting CHK1 and PI3K Synergistically Suppresses Tumor Growth of Oral Cavity Squamous Cell Carcinoma in Patient-Derived Xenografts. Cancers (Basel). 2020 Jun 29;12(7). pii: cancers12071726. doi: 10.3390/cancers12071726." Investigational Alpha amino acid amides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Benzazepines; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Protein Kinase Inhibitors" CN1C=C(C=N1)C1=C2C=NNC(=O)C3=C2C(N1)=CC(NC(=O)[C@H](N)C1CCCCC1)=C3 347828825 CHEMBL3990456 DB12612 Ozanimod BE0002432 S1PR5 Q9H228 S1PR5_HUMAN agonist 31492652; 28398597; 29125718 "Cohen JA, Comi G, Selmaj KW, Bar-Or A, Arnold DL, Steinman L, Hartung HP, Montalban X, Kubala Havrdova E, Cree BAC, Sheffield JK, Minton N, Raghupathi K, Huang V, Kappos L: Safety and efficacy of ozanimod versus interferon beta-1a in relapsing multiple sclerosis (RADIANCE): a multicentre, randomised, 24-month, phase 3 trial. Lancet Neurol. 2019 Nov;18(11):1021-1033. doi: 10.1016/S1474-4422(19)30238-8. Epub 2019 Sep 3.@@Tran JQ, Hartung JP, Peach RJ, Boehm MF, Rosen H, Smith H, Brooks JL, Timony GA, Olson AD, Gujrathi S, Frohna PA: Results From the First-in-Human Study With Ozanimod, a Novel, Selective Sphingosine-1-Phosphate Receptor Modulator. J Clin Pharmacol. 2017 Aug;57(8):988-996. doi: 10.1002/jcph.887. Epub 2017 Apr 11.@@Tran JQ, Hartung JP, Tompkins CA, Frohna PA: Effects of High- and Low-Fat Meals on the Pharmacokinetics of Ozanimod, a Novel Sphingosine-1-Phosphate Receptor Modulator. Clin Pharmacol Drug Dev. 2018 Aug;7(6):634-640. doi: 10.1002/cpdd.409. Epub 2017 Nov 10." Approved; Investigational Phenyloxadiazoles Organic compounds; Organoheterocyclic compounds; Azoles; Oxadiazoles BCRP/ABCG2 Substrates; Immunomodulatory Agents; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 Substrates; Immunologic Factors; Selective Immunosuppressants; Cytochrome P-450 CYP3A Substrates; Indenes; Sphingosine 1 Phosphate Receptor Modulators; Sphingosine 1-phosphate Receptor Modulator; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Oxazoles; Cytochrome P-450 CYP2C8 Substrates CC(C)OC1=C(C=C(C=C1)C1=NC(=NO1)C1=C2CC[C@H](NCCO)C2=CC=C1)C#N 23516 347828826 Ozanimod CHEMBL3707247 2288236 DB12637 Onapristone BE0000794 NR3C1 P04150 GCR_HUMAN 15705660 "Schaaf MJ, Lewis-Tuffin LJ, Cidlowski JA: Ligand-selective targeting of the glucocorticoid receptor to nuclear subdomains is associated with decreased receptor mobility. Mol Endocrinol. 2005 Jun;19(6):1501-15. Epub 2005 Feb 10." Investigational Oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids "Fused-Ring Compounds; Reproductive Control Agents; Fertility Agents, Female; Fertility Agents; Hormone Antagonists; Steroids; Antineoplastic Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" CN(C)C1=CC=C(C=C1)[C@H]1C[C@]2(C)[C@@H](CC[C@]2(O)CCCO)[C@@H]2CCC3=CC(=O)CCC3=C12 347828846 Onapristone CHEMBL1908373 DB12637 Onapristone BE0005510 ADGRD1 Q6QNK2 AGRD1_HUMAN 15811074 "Sachdeva G, Gadkar S, Shah CA, Kholkute SD, Puri CP: Characterization of a critical region in the hormone binding domain of sperm progesterone receptor. Int J Androl. 2005 Apr;28(2):120-4." Investigational Oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids "Fused-Ring Compounds; Reproductive Control Agents; Fertility Agents, Female; Fertility Agents; Hormone Antagonists; Steroids; Antineoplastic Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" CN(C)C1=CC=C(C=C1)[C@H]1C[C@]2(C)[C@@H](CC[C@]2(O)CCCO)[C@@H]2CCC3=CC(=O)CCC3=C12 347828846 Onapristone CHEMBL1908373 DB12645 Givinostat BE0008667 HDAC1 Q9UKV0 HDAC9_HUMAN inhibitor 33936902; 32503121 "Arya Y, Syal A, Gupta M, Gaba S: Advances in the Treatment of Polycythemia Vera: Trends in Disease Management. Cureus. 2021 Mar 30;13(3):e14193. doi: 10.7759/cureus.14193.@@Curreli F, Ahmed S, Victor SMB, Debnath AK: Identification of Combinations of Protein Kinase C Activators and Histone Deacetylase Inhibitors That Potently Reactivate Latent HIV. Viruses. 2020 Jun 3;12(6). pii: v12060609. doi: 10.3390/v12060609." Investigational Phenylcarbamic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylcarbamic acid esters "Potential QTc-Prolonging Agents; QTc Prolonging Agents; Histone Deacetylase Inhibitors; Acids, Acyclic; Antineoplastic Agents" CCN(CC)CC1=CC=C2C=C(COC(=O)NC3=CC=C(C=C3)C(=O)NO)C=CC2=C1 347828853 Givinostat CHEMBL1213492 DB12651 Bardoxolone BE0003460 CASP8 Q14790 CASP8_HUMAN Investigational Cyclohexenones Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds Pentacyclic Triterpenes; Sapogenins; Triterpenes; Terpenes CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(O)=O 347828858 Bardoxolone_methyl CHEMBL1093059 DB12662 Naveglitazar BE0000215 PPARG P37231 PPARG_HUMAN Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers "PPAR alpha, agonists; Acids, Carbocyclic; PPAR gamma, agonists" CO[C@@H](CC1=CC=C(OCCCOC2=CC=C(OC3=CC=CC=C3)C=C2)C=C1)C(O)=O 347828866 CHEMBL181954 DB12668 Metenkefalin BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 24856378 "Rakanovic-Todic M, Burnazovic-Ristic L, Ibrulj S, Mulbegovic N: Effect of met-enkephalin on chromosomal aberrations in the lymphocytes of the peripheral blood of patients with multiple sclerosis. Bosn J Basic Med Sci. 2014 May;14(2):75-80. doi: 10.17305/bjbms.2014.2267." Investigational Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "mu-Opioid Receptor Agonist; Enkephalins; Opioid Peptides; Experimental Unapproved Treatments for COVID-19; Nerve Tissue Proteins; Neurotransmitter Agents; Neuropeptides; Peptides; Proteins; Receptors, Opioid, delta, agonists; Enkephalin, Methionine; Amino Acids, Peptides, and Proteins" CSCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O 347828872 Met-enkephalin CHEMBL13786 1349278 DB12668 Metenkefalin BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 24856378 "Rakanovic-Todic M, Burnazovic-Ristic L, Ibrulj S, Mulbegovic N: Effect of met-enkephalin on chromosomal aberrations in the lymphocytes of the peripheral blood of patients with multiple sclerosis. Bosn J Basic Med Sci. 2014 May;14(2):75-80. doi: 10.17305/bjbms.2014.2267." Investigational Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "mu-Opioid Receptor Agonist; Enkephalins; Opioid Peptides; Experimental Unapproved Treatments for COVID-19; Nerve Tissue Proteins; Neurotransmitter Agents; Neuropeptides; Peptides; Proteins; Receptors, Opioid, delta, agonists; Enkephalin, Methionine; Amino Acids, Peptides, and Proteins" CSCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O 347828872 Met-enkephalin CHEMBL13786 1349278 DB12688 Moxetumomab pasudotox BE0000183 CD22 P20273 CD22_HUMAN binder 22355051; 22003067; 33807678 "Park JH, Levine RL: Targeted immunotherapy for hairy cell leukemia. J Clin Oncol. 2012 May 20;30(15):1888-90. doi: 10.1200/JCO.2011.39.8313. Epub 2012 Feb 21.@@Kreitman RJ, Pastan I: Antibody fusion proteins: anti-CD22 recombinant immunotoxin moxetumomab pasudotox. Clin Cancer Res. 2011 Oct 15;17(20):6398-405. doi: 10.1158/1078-0432.CCR-11-0487.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Noxae; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; CD22-Directed Cytotoxins; Immunotherapy; Immunotoxins; Immunologic Factors; Proteins; Antineoplastic Agents; Immunoglobulins; CD22 (Clusters of Differentiation 22) inhibitors; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Immunoconjugates; Narrow Therapeutic Index Drugs; Toxic Actions; Blood Proteins" 347911362 Moxetumomab_pasudotox 2099305 DB12688 Moxetumomab pasudotox BE0004281 EEF2 P13639 EF2_HUMAN inactivator 22069564 "Shapira A, Benhar I: Toxin-based therapeutic approaches. Toxins (Basel). 2010 Nov;2(11):2519-83. doi: 10.3390/toxins2112519. Epub 2010 Oct 28." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Noxae; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; CD22-Directed Cytotoxins; Immunotherapy; Immunotoxins; Immunologic Factors; Proteins; Antineoplastic Agents; Immunoglobulins; CD22 (Clusters of Differentiation 22) inhibitors; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Immunoconjugates; Narrow Therapeutic Index Drugs; Toxic Actions; Blood Proteins" 347911362 Moxetumomab_pasudotox 2099305 DB12695 Phenethyl Isothiocyanate BE0005076 ACTA2 P62736 ACTA_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0004966 ACTB P60709 ACTB_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0003841 ATP5B P06576 ATPB_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0009022 ATP5L O75964 ATP5L_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0004474 CYB5B O43169 CYB5B_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0009023 DIABLO Q9NR28 DBLOH_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0009026 HNRNPK P61978 HNRPK_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0009027 HSPA4 P34932 HSP74_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0009029 HSPH1 Q92598 HS105_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0009030 NUDC Q9Y266 NUDC_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0009031 PAPPA Q13219 PAPP1_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0008978 RANBP1 P43487 RANG_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0009033 S100A10 P60903 S10AA_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0009034 SF3A3 Q12874 SF3A3_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0009035 SMARCE1 Q969G3 SMCE1_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0000355 SUCLG2 Q96I99 SUCB2_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0009036 TPD52L2 O43399 TPD54_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0009038 TPM3 P06753 TPM3_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0009039 TPM4 P67936 TPM4_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0000026 TUBB1 Q9H4B7 TBB1_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0001367 TUBB4B P68371 TBB4B_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0004965 TXN P10599 THIO_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0009040 USP14 P54578 UBP14_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0004572 VCP P55072 TERA_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0008974 YWHAB P31946 1433B_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0004570 YWHAE P62258 1433E_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0009041 YWHAH Q04917 1433F_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0009042 YWHAQ P27348 1433T_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12695 Phenethyl Isothiocyanate BE0001174 YWHAZ P63104 1433Z_HUMAN 21838287 "Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26." Investigational Benzene and substituted derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives "Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting" S=C=NCCC1=CC=CC=C1 347828896 Phenethyl_isothiocyanate CHEMBL151649 DB12698 Ibalizumab BE0003488 CD4 P01730 CD4_HUMAN antagonist Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Antiviral Agents; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Antiinfectives for Systemic Use; CD4-directed Blocking Antibody; Amino Acids, Peptides, and Proteins; HIV Fusion Inhibitors; Antibodies; HIV 1 Post-attachment Fusion Inhibitors; Human Immunodeficiency Virus 1 Post-attachment Fusion Inhibitor; Proteins; CD4-directed Antibody Interactions; Immunoglobulins; Antivirals for Systemic Use; Anti-HIV Agents; Direct Acting Antivirals; Anti-Retroviral Agents; Anti-Infective Agents; Blood Proteins" 347911363 Ibalizumab DB12702 Velusetrag BE0000084 HTR4 Q13639 5HT4R_HUMAN Investigational Quinoline-3-carboxamides Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxamides Aza Compounds CC(C)N1C(=O)C(=CC2=CC=CC=C12)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](O)CN(C)S(C)(=O)=O 347828900 Velusetrag CHEMBL2087337 DB12709 Tributyrin BE0001162 CASP3 P42574 CASP3_HUMAN activator 11485828 "Clarke KO, Feinman R, Harrison LE: Tributyrin, an oral butyrate analogue, induces apoptosis through the activation of caspase-3. Cancer Lett. 2001 Sep 28;171(1):57-65. doi: 10.1016/s0304-3835(01)00574-2." Investigational Triacylglycerols Organic compounds; Lipids and lipid-like molecules; Glycerolipids; Triradylcglycerols Lipids; Glycerides CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC 347828907 Tributyrin CHEMBL118722 DB12731 Daporinad BE0002413 NAMPT P43490 NAMPT_HUMAN inhibitor 10592235; 21144000 "Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Olesen UH, Petersen JG, Garten A, Kiess W, Yoshino J, Imai S, Christensen MK, Fristrup P, Thougaard AV, Bjorkling F, Jensen PB, Nielsen SJ, Sehested M: Target enzyme mutations are the molecular basis for resistance towards pharmacological inhibition of nicotinamide phosphoribosyltransferase. BMC Cancer. 2010 Dec 12;10:677. doi: 10.1186/1471-2407-10-677." Investigational 1-benzoylpiperidines Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives "Acrylates; Acids, Acyclic; Amides" O=C(NCCCCC1CCN(CC1)C(=O)C1=CC=CC=C1)\C=C\C1=CC=CN=C1 347828925 CHEMBL566757 DB12733 Dipraglurant BE0001192 GRM5 P41594 GRM5_HUMAN Investigational Imidazopyridines Organic compounds; Organoheterocyclic compounds; Imidazopyridines FC1=CN2C=C(CCC#CC3=CC=CC=N3)N=C2C=C1 347828927 Dipraglurant CHEMBL2346738 DB12742 Amuvatinib BE0000453 KIT P10721 KIT_HUMAN 17325667 "Mahadevan D, Cooke L, Riley C, Swart R, Simons B, Della Croce K, Wisner L, Iorio M, Shakalya K, Garewal H, Nagle R, Bearss D: A novel tyrosine kinase switch is a mechanism of imatinib resistance in gastrointestinal stromal tumors. Oncogene. 2007 Jun 7;26(27):3909-19. Epub 2007 Feb 26." Investigational N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Sulfur Compounds; Amides S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1 347828932 CHEMBL2103851 DB12742 Amuvatinib BE0000915 MET P08581 MET_HUMAN Investigational N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Sulfur Compounds; Amides S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1 347828932 CHEMBL2103851 DB12742 Amuvatinib BE0002411 RET P07949 RET_HUMAN Investigational N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Sulfur Compounds; Amides S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1 347828932 CHEMBL2103851 DB12742 Amuvatinib BE0002412 RAD51 Q06609 RAD51_HUMAN Investigational N-arylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Sulfur Compounds; Amides S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1 347828932 CHEMBL2103851 DB12747 Tertomotide BE0002449 TERT O14746 TERT_HUMAN 17258078 "Kokhaei P, Palma M, Hansson L, Osterborg A, Mellstedt H, Choudhury A: Telomerase (hTERT 611-626) serves as a tumor antigen in B-cell chronic lymphocytic leukemia and generates spontaneously antileukemic, cytotoxic T cells. Exp Hematol. 2007 Feb;35(2):297-304." Investigational 347911372 DB12756 TAK-901 BE0003404 AURKB Q96GD4 AURKB_HUMAN inhibitor 28179288; 24332383 "Murai S, Matuszkiewicz J, Okuzono Y, Miya H, DE Jong R: Aurora B Inhibitor TAK-901 Synergizes with BCL-xL Inhibition by Inducing Active BAX in Cancer Cells. Anticancer Res. 2017 Feb;37(2):437-444. doi: 10.21873/anticanres.11335.@@Cullinane C, Waldeck KL, Binns D, Bogatyreva E, Bradley DP, de Jong R, McArthur GA, Hicks RJ: Preclinical FLT-PET and FDG-PET imaging of tumor response to the multi-targeted Aurora B kinase inhibitor, TAK-901. Nucl Med Biol. 2014 Feb;41(2):148-54. doi: 10.1016/j.nucmedbio.2013.11.001. Epub 2013 Nov 15." Investigational Alpha carbolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyridoindoles "Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Pyridines; Sulfur Compounds; Indoles; Protein Kinase Inhibitors" CCS(=O)(=O)C1=CC=CC(=C1)C1=CC(C(=O)NC2CCN(C)CC2)=C(C)C2=C1C1=C(N2)N=CC(C)=C1 347828943 CHEMBL3544932 DB12756 TAK-901 BE0010137 BAX Q07812 BAX_HUMAN activator 28179288 "Murai S, Matuszkiewicz J, Okuzono Y, Miya H, DE Jong R: Aurora B Inhibitor TAK-901 Synergizes with BCL-xL Inhibition by Inducing Active BAX in Cancer Cells. Anticancer Res. 2017 Feb;37(2):437-444. doi: 10.21873/anticanres.11335." Investigational Alpha carbolines Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyridoindoles "Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Pyridines; Sulfur Compounds; Indoles; Protein Kinase Inhibitors" CCS(=O)(=O)C1=CC=CC(=C1)C1=CC(C(=O)NC2CCN(C)CC2)=C(C)C2=C1C1=C(N2)N=CC(C)=C1 347828943 CHEMBL3544932 DB12764 Opaganib BE0010025 SPHK2 Q9NRA0 SPHK2_HUMAN inhibitor Investigational Chlorobenzenes Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes Bridged-Ring Compounds; Cycloparaffins ClC1=CC=C(C=C1)C12CC3CC(CC(C3)(C1)C(=O)NCC1=CC=NC=C1)C2 347828950 Opaganib CHEMBL2158685 DB12808 Trifarotene BE0000144 RARG P13631 RARG_HUMAN agonist 29974453 "Aubert J, Piwnica D, Bertino B, Blanchet-Rethore S, Carlavan I, Deret S, Dreno B, Gamboa B, Jomard A, Luzy AP, Mauvais P, Mounier C, Pascau J, Pelisson I, Portal T, Rivier M, Rossio P, Thoreau E, Vial E, Voegel JJ: Nonclinical and human pharmacology of the potent and selective topical retinoic acid receptor-gamma agonist trifarotene. Br J Dermatol. 2018 Aug;179(2):442-456. doi: 10.1111/bjd.16719. Epub 2018 Jul 4." Approved; Investigational M-terphenyls Organic compounds; Benzenoids; Benzene and substituted derivatives; Terphenyls Anti-Acne Preparations; Cytochrome P-450 CYP2B6 Substrates; Anti-Acne Preparations for Topical Use; Alkenes; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Polyenes; Cytochrome P-450 CYP3A Substrates; Retinoids for Topical Use in Acne; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Cytochrome P-450 CYP3A4 Substrates; Retinoids; Cytochrome P-450 CYP2C8 Substrates CC(C)(C)C1=CC(=CC=C1N1CCCC1)C1=CC(=CC=C1OCCO)C1=CC=C(C=C1)C(O)=O 23388 347828982 Trifarotene CHEMBL3707313 2205637 DB12808 Trifarotene BE0000206 RARB P10826 RARB_HUMAN agonist 29974453 "Aubert J, Piwnica D, Bertino B, Blanchet-Rethore S, Carlavan I, Deret S, Dreno B, Gamboa B, Jomard A, Luzy AP, Mauvais P, Mounier C, Pascau J, Pelisson I, Portal T, Rivier M, Rossio P, Thoreau E, Vial E, Voegel JJ: Nonclinical and human pharmacology of the potent and selective topical retinoic acid receptor-gamma agonist trifarotene. Br J Dermatol. 2018 Aug;179(2):442-456. doi: 10.1111/bjd.16719. Epub 2018 Jul 4." Approved; Investigational M-terphenyls Organic compounds; Benzenoids; Benzene and substituted derivatives; Terphenyls Anti-Acne Preparations; Cytochrome P-450 CYP2B6 Substrates; Anti-Acne Preparations for Topical Use; Alkenes; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Polyenes; Cytochrome P-450 CYP3A Substrates; Retinoids for Topical Use in Acne; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Cytochrome P-450 CYP3A4 Substrates; Retinoids; Cytochrome P-450 CYP2C8 Substrates CC(C)(C)C1=CC(=CC=C1N1CCCC1)C1=CC(=CC=C1OCCO)C1=CC=C(C=C1)C(O)=O 23388 347828982 Trifarotene CHEMBL3707313 2205637 DB12808 Trifarotene BE0000663 RARA P10276 RARA_HUMAN agonist 29974453 "Aubert J, Piwnica D, Bertino B, Blanchet-Rethore S, Carlavan I, Deret S, Dreno B, Gamboa B, Jomard A, Luzy AP, Mauvais P, Mounier C, Pascau J, Pelisson I, Portal T, Rivier M, Rossio P, Thoreau E, Vial E, Voegel JJ: Nonclinical and human pharmacology of the potent and selective topical retinoic acid receptor-gamma agonist trifarotene. Br J Dermatol. 2018 Aug;179(2):442-456. doi: 10.1111/bjd.16719. Epub 2018 Jul 4." Approved; Investigational M-terphenyls Organic compounds; Benzenoids; Benzene and substituted derivatives; Terphenyls Anti-Acne Preparations; Cytochrome P-450 CYP2B6 Substrates; Anti-Acne Preparations for Topical Use; Alkenes; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Polyenes; Cytochrome P-450 CYP3A Substrates; Retinoids for Topical Use in Acne; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Cytochrome P-450 CYP3A4 Substrates; Retinoids; Cytochrome P-450 CYP2C8 Substrates CC(C)(C)C1=CC(=CC=C1N1CCCC1)C1=CC(=CC=C1OCCO)C1=CC=C(C=C1)C(O)=O 23388 347828982 Trifarotene CHEMBL3707313 2205637 DB12816 Terpinen-4-ol BE0000246 BCL2 P10415 BCL2_HUMAN regulator 21760828 "Wu CS, Chen YJ, Chen JJ, Shieh JJ, Huang CH, Lin PS, Chang GC, Chang JT, Lin CC: Terpinen-4-ol Induces Apoptosis in Human Nonsmall Cell Lung Cancer In Vitro and In Vivo. Evid Based Complement Alternat Med. 2012;2012:818261. doi: 10.1155/2012/818261. Epub 2011 Jun 20." Investigational Menthane monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 Substrates; Cytochrome P-450 CYP2A6 Substrates CC(C)C1(O)CCC(C)=CC1 347828987 Terpinen-4-ol CHEMBL507795 1314261 DB12816 Terpinen-4-ol BE0004903 NFKB2 P19838 NFKB1_HUMAN downregulator 27502407 "Chaiyana W, Anuchapreeda S, Leelapornpisid P, Phongpradist R, Viernstein H, Mueller M: Development of Microemulsion Delivery System of Essential Oil from Zingiber cassumunar Roxb. Rhizome for Improvement of Stability and Anti-Inflammatory Activity. AAPS PharmSciTech. 2017 May;18(4):1332-1342. doi: 10.1208/s12249-016-0603-2. Epub 2016 Aug 8." Investigational Menthane monoterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids Cytochrome P-450 Substrates; Cytochrome P-450 CYP2A6 Substrates CC(C)C1(O)CCC(C)=CC1 347828987 Terpinen-4-ol CHEMBL507795 1314261 DB12831 Gabexate BE0002440 KLKB1 P03952 KLKB1_HUMAN inhibitor 143965 "Tamura Y, Hirado M, Okamura K, Minato Y, Fujii S: Synthetic inhibitors of trypsin, plasmin, kallikrein, thrombin, C1r-, and C1 esterase. Biochim Biophys Acta. 1977 Oct 13;484(2):417-22." Investigational Benzoic acid esters Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives Protease Inhibitors; Serine Protease Inhibitors; Enzyme Inhibitors; Amidines; Guanidines; Anticoagulants; Hematologic Agents CCOC(=O)C1=CC=C(OC(=O)CCCCCNC(N)=N)C=C1 347828997 Gabexate CHEMBL87563 DB12843 Oleandrin BE0000642 MMP2 P08253 MMP2_HUMAN inhibitor 26444270 "Ma Y, Zhu B, Liu X, Yu H, Yong L, Liu X, Shao J, Liu Z: Inhibition of oleandrin on the proliferation show and invasion of osteosarcoma cells in vitro by suppressing Wnt/beta-catenin signaling pathway. J Exp Clin Cancer Res. 2015 Oct 6;34:115. doi: 10.1186/s13046-015-0232-8." Experimental; Investigational Cardenolide glycosides and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones Fused-Ring Compounds; Cardanolides; Glycosides; Cardiac Glycosides; Steroids CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O 347829006 Oleandrin CHEMBL1075789 DB12843 Oleandrin BE0000246 BCL2 P10415 BCL2_HUMAN downregulator 27886059 "Ma Y, Zhu B, Yong L, Song C, Liu X, Yu H, Wang P, Liu Z, Liu X: Regulation of Intrinsic and Extrinsic Apoptotic Pathways in Osteosarcoma Cells Following Oleandrin Treatment. Int J Mol Sci. 2016 Nov 23;17(11). pii: ijms17111950. doi: 10.3390/ijms17111950." Experimental; Investigational Cardenolide glycosides and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones Fused-Ring Compounds; Cardanolides; Glycosides; Cardiac Glycosides; Steroids CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O 347829006 Oleandrin CHEMBL1075789 DB12843 Oleandrin BE0001094 NGF P01138 NGF_HUMAN inhibitor 16331685 "Manna SK, Sreenivasan Y, Sarkar A: Cardiac glycoside inhibits IL-8-induced biological responses by downregulating IL-8 receptors through altering membrane fluidity. J Cell Physiol. 2006 Apr;207(1):195-207. doi: 10.1002/jcp.20555." Experimental; Investigational Cardenolide glycosides and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones Fused-Ring Compounds; Cardanolides; Glycosides; Cardiac Glycosides; Steroids CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O 347829006 Oleandrin CHEMBL1075789 DB12843 Oleandrin BE0001162 CASP3 P42574 CASP3_HUMAN regulator 27886059 "Ma Y, Zhu B, Yong L, Song C, Liu X, Yu H, Wang P, Liu Z, Liu X: Regulation of Intrinsic and Extrinsic Apoptotic Pathways in Osteosarcoma Cells Following Oleandrin Treatment. Int J Mol Sci. 2016 Nov 23;17(11). pii: ijms17111950. doi: 10.3390/ijms17111950." Experimental; Investigational Cardenolide glycosides and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones Fused-Ring Compounds; Cardanolides; Glycosides; Cardiac Glycosides; Steroids CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O 347829006 Oleandrin CHEMBL1075789 DB12843 Oleandrin BE0003460 CASP8 Q14790 CASP8_HUMAN regulator 27886059 "Ma Y, Zhu B, Yong L, Song C, Liu X, Yu H, Wang P, Liu Z, Liu X: Regulation of Intrinsic and Extrinsic Apoptotic Pathways in Osteosarcoma Cells Following Oleandrin Treatment. Int J Mol Sci. 2016 Nov 23;17(11). pii: ijms17111950. doi: 10.3390/ijms17111950." Experimental; Investigational Cardenolide glycosides and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones Fused-Ring Compounds; Cardanolides; Glycosides; Cardiac Glycosides; Steroids CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O 347829006 Oleandrin CHEMBL1075789 DB12843 Oleandrin BE0004549 EPHB2 P29323 EPHB2_HUMAN activator 31900072 "Terzioglu-Usak S, Nalli A, Elibol B, Ozek E, Hatiboglu MA: Anvirzel(TM)regulates cell death through inhibiting GSK-3 activity in human U87 glioma cells. Neurol Res. 2020 Jan;42(1):68-75. doi: 10.1080/01616412.2019.1709744. Epub 2020 Jan 3." Experimental; Investigational Cardenolide glycosides and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones Fused-Ring Compounds; Cardanolides; Glycosides; Cardiac Glycosides; Steroids CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O 347829006 Oleandrin CHEMBL1075789 DB12843 Oleandrin BE0000953 EGF P01133 EGF_HUMAN inhibitor 16331685 "Manna SK, Sreenivasan Y, Sarkar A: Cardiac glycoside inhibits IL-8-induced biological responses by downregulating IL-8 receptors through altering membrane fluidity. J Cell Physiol. 2006 Apr;207(1):195-207. doi: 10.1002/jcp.20555." Experimental; Investigational Cardenolide glycosides and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones Fused-Ring Compounds; Cardanolides; Glycosides; Cardiac Glycosides; Steroids CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O 347829006 Oleandrin CHEMBL1075789 DB12843 Oleandrin BE0002386 MTOR P42345 MTOR_HUMAN downregulator 32452588 "Roth MT, Cardin DB, Borazanci EH, Steinbach M, Picozzi VJ, Rosemury A, Wadlow RC, Newman RA, Berlin J: A Phase II, Single-Arm, Open-Label, Bayesian Adaptive Efficacy and Safety Study of PBI-05204 in Patients with Stage IV Metastatic Pancreatic Adenocarcinoma. Oncologist. 2020 Oct;25(10):e1446-e1450. doi: 10.1634/theoncologist.2020-0440. Epub 2020 Jul 2." Experimental; Investigational Cardenolide glycosides and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones Fused-Ring Compounds; Cardanolides; Glycosides; Cardiac Glycosides; Steroids CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O 347829006 Oleandrin CHEMBL1075789 DB12847 Pyroxamide BE0008667 HDAC1 Q9UKV0 HDAC9_HUMAN inhibitor 11309347; 16391874; 12678732 "Butler LM, Webb Y, Agus DB, Higgins B, Tolentino TR, Kutko MC, LaQuaglia MP, Drobnjak M, Cordon-Cardo C, Scher HI, Breslow R, Richon VM, Rifkind RA, Marks PA: Inhibition of transformed cell growth and induction of cellular differentiation by pyroxamide, an inhibitor of histone deacetylase. Clin Cancer Res. 2001 Apr;7(4):962-70.@@Kouraklis G, Theocharis S: Histone deacetylase inhibitors: a novel target of anticancer therapy (review). Oncol Rep. 2006 Feb;15(2):489-94.@@Kouraklis G, Theocharis S: Histone deacetylase inhibitors and anticancer therapy. Curr Med Chem Anticancer Agents. 2002 Jul;2(4):477-84. doi: 10.2174/1568011023353921." Investigational Pyridines and derivatives Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives Amines; Hydroxy Acids; Hydroxylamines; Pyridines ONC(=O)CCCCCCC(=O)NC1=CN=CC=C1 347829008 CHEMBL353581 DB12852 MK-0752 BE0003409 APH1A Q96BI3 APH1A_HUMAN inhibitor 29438372; 20702149 "Cook N, Basu B, Smith DM, Gopinathan A, Evans J, Steward WP, Palmer D, Propper D, Venugopal B, Hategan M, Anthoney DA, Hampson LV, Nebozhyn M, Tuveson D, Farmer-Hall H, Turner H, McLeod R, Halford S, Jodrell D: A phase I trial of the gamma-secretase inhibitor MK-0752 in combination with gemcitabine in patients with pancreatic ductal adenocarcinoma. Br J Cancer. 2018 Mar 20;118(6):793-801. doi: 10.1038/bjc.2017.495. Epub 2018 Feb 13.@@Bai F, Tagen M, Colotta C, Miller L, Fouladi M, Stewart CF: Determination of the gamma-secretase inhibitor MK-0752 in human plasma by online extraction and electrospray tandem mass spectrometry (HTLC-ESI-MS/MS). J Chromatogr B Analyt Technol Biomed Life Sci. 2010 Sep 1;878(25):2348-52. doi: 10.1016/j.jchromb.2010.07.019. Epub 2010 Jul 30." Investigational Carbocyclic fatty acids Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates "Fatty Acids, Volatile; Enzyme Inhibitors; Gamma Secretase Inhibitors and Modulators; Lipids; Sulfur Compounds; Acids, Acyclic; Fatty Acids; Amyloid Precursor Protein Secretases, antagonists & inhibitors" OC(=O)CC[C@H]1CC[C@@](CC1)(C1=C(F)C=CC(F)=C1)S(=O)(=O)C1=CC=C(Cl)C=C1 347829011 DB12872 Vonicog alfa BE0000016 F8 P00451 FA8_HUMAN stabilization 28379876; 26239086 "Brown R: Recombinant von Willebrand factor for severe gastrointestinal bleeding unresponsive to other treatments in a patient with type 2A von Willebrand disease: a case report. Blood Coagul Fibrinolysis. 2017 Oct;28(7):570-575. doi: 10.1097/MBC.0000000000000632.@@Gill JC, Castaman G, Windyga J, Kouides P, Ragni M, Leebeek FW, Obermann-Slupetzky O, Chapman M, Fritsch S, Pavlova BG, Presch I, Ewenstein B: Hemostatic efficacy, safety, and pharmacokinetics of a recombinant von Willebrand factor in severe von Willebrand disease. Blood. 2015 Oct 22;126(17):2038-46. doi: 10.1182/blood-2015-02-629873. Epub 2015 Aug 3." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" 23035 347911400 Vonicog_alfa 1812589 DB12887 Tazemetostat BE0009562 EZH2 Q15910 EZH2_HUMAN inhibitor Approved; Investigational Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives Methyltransferase Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; MATE 1 Inhibitors; Pyridines; MATE 2-K Inhibitors; Cytochrome P-450 Substrates; Benzoates; Oxazines; P-glycoprotein substrates; Methyltransferase Inhibitor; Antineoplastic Agents; BCRP/ABCG2 Substrates; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; Cytochrome P-450 CYP3A4 Substrates (strength unknown) CCN(C1CCOCC1)C1=C(C)C(=CC(=C1)C1=CC=C(CN2CCOCC2)C=C1)C(=O)NCC1=C(C)C=C(C)NC1=O 347829042 Tazemetostat CHEMBL3414621 2274378 DB12887 Tazemetostat BE0009849 EZH1 Q92800 EZH1_HUMAN inhibitor Approved; Investigational Biphenyls and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives Methyltransferase Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; MATE 1 Inhibitors; Pyridines; MATE 2-K Inhibitors; Cytochrome P-450 Substrates; Benzoates; Oxazines; P-glycoprotein substrates; Methyltransferase Inhibitor; Antineoplastic Agents; BCRP/ABCG2 Substrates; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; Cytochrome P-450 CYP3A4 Substrates (strength unknown) CCN(C1CCOCC1)C1=C(C)C(=CC(=C1)C1=CC=C(CN2CCOCC2)C=C1)C(=O)NCC1=C(C)C=C(C)NC1=O 347829042 Tazemetostat CHEMBL3414621 2274378 DB12893 Sacituzumab govitecan BE0000971 TOP1 P11387 TOP1_HUMAN inhibitor 31415916 Bailly C: Irinotecan: 25 years of cancer treatment. Pharmacol Res. 2019 Oct;148:104398. doi: 10.1016/j.phrs.2019.104398. Epub 2019 Aug 12. Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Topoisomerase Inhibitors; Antibodies, Monoclonal, Humanized; Noxae; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Immunologic Factors; Alkaloids; Proteins; Antineoplastic Agents; Immunoglobulins; Antibody-drug Conjugates; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; UGT1A1 Substrates; Trop-2-Directed Monoclonal Antibodies; Toxic Actions; Blood Proteins" 23659 347911403 Sacituzumab_govitecan 2360232 DB12893 Sacituzumab govitecan BE0003422 FUBP1 Q96AE4 FUBP1_HUMAN inhibitor 29031818 "Khageh Hosseini S, Kolterer S, Steiner M, von Manstein V, Gerlach K, Trojan J, Waidmann O, Zeuzem S, Schulze JO, Hahn S, Steinhilber D, Gatterdam V, Tampe R, Biondi RM, Proschak E, Zornig M: Camptothecin and its analog SN-38, the active metabolite of irinotecan, inhibit binding of the transcriptional regulator and oncoprotein FUBP1 to its DNA target sequence FUSE. Biochem Pharmacol. 2017 Dec 15;146:53-62. doi: 10.1016/j.bcp.2017.10.003. Epub 2017 Oct 13." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Topoisomerase Inhibitors; Antibodies, Monoclonal, Humanized; Noxae; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Immunologic Factors; Alkaloids; Proteins; Antineoplastic Agents; Immunoglobulins; Antibody-drug Conjugates; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; UGT1A1 Substrates; Trop-2-Directed Monoclonal Antibodies; Toxic Actions; Blood Proteins" 23659 347911403 Sacituzumab_govitecan 2360232 DB12941 Darolutamide BE0000132 AR P10275 ANDR_HUMAN antagonist 31571095; 28801852; 30197098 "Shore N, Zurth C, Fricke R, Gieschen H, Graudenz K, Koskinen M, Ploeger B, Moss J, Prien O, Borghesi G, Petrenciuc O, Tammela TL, Kuss I, Verholen F, Smith MR, Fizazi K: Evaluation of Clinically Relevant Drug-Drug Interactions and Population Pharmacokinetics of Darolutamide in Patients with Nonmetastatic Castration-Resistant Prostate Cancer: Results of Pre-Specified and Post Hoc Analyses of the Phase III ARAMIS Trial. Target Oncol. 2019 Oct;14(5):527-539. doi: 10.1007/s11523-019-00674-0.@@Matsubara N, Mukai H, Hosono A, Onomura M, Sasaki M, Yajima Y, Hashizume K, Yasuda M, Uemura M, Zurth C: Phase 1 study of darolutamide (ODM-201): a new-generation androgen receptor antagonist, in Japanese patients with metastatic castration-resistant prostate cancer. Cancer Chemother Pharmacol. 2017 Dec;80(6):1063-1072. doi: 10.1007/s00280-017-3417-3. Epub 2017 Aug 11.@@Fizazi K, Smith MR, Tombal B: Clinical Development of Darolutamide: A Novel Androgen Receptor Antagonist for the Treatment of Prostate Cancer. Clin Genitourin Cancer. 2018 Oct;16(5):332-340. doi: 10.1016/j.clgc.2018.07.017. Epub 2018 Jul 24." Approved; Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles "BCRP/ABCG2 Substrates; OATP1B1/SLCO1B1 Inhibitors; Antiandrogens; Antineoplastic and Immunomodulating Agents; OATP1B3 inhibitors; Antiandrogens, non-steroidal; BCRP/ABCG2 Inhibitors; Endocrine Therapy; Cytochrome P-450 Substrates; UGT1A9 Substrates; Androgen Receptor Inhibitors; UGT1A1 Substrates; Cytochrome P-450 CYP3A Substrates; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents" C[C@@H](CN1C=CC(=N1)C1=CC=C(C#N)C(Cl)=C1)NC(=O)C1=NNC(=C1)C(C)O 23424 347829085 Darolutamide CHEMBL4297185 2180325 DB12941 Darolutamide BE0000557 PGR P06401 PRGR_HUMAN antagonist Approved; Investigational Phenylpyrazoles Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles "BCRP/ABCG2 Substrates; OATP1B1/SLCO1B1 Inhibitors; Antiandrogens; Antineoplastic and Immunomodulating Agents; OATP1B3 inhibitors; Antiandrogens, non-steroidal; BCRP/ABCG2 Inhibitors; Endocrine Therapy; Cytochrome P-450 Substrates; UGT1A9 Substrates; Androgen Receptor Inhibitors; UGT1A1 Substrates; Cytochrome P-450 CYP3A Substrates; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents" C[C@@H](CN1C=CC(=N1)C1=CC=C(C#N)C(Cl)=C1)NC(=O)C1=NNC(=C1)C(C)O 23424 347829085 Darolutamide CHEMBL4297185 2180325 DB12961 Leukotriene B4 BE0000071 PPARA Q07869 PPARA_HUMAN activator 15491415 "Downie MM, Sanders DA, Maier LM, Stock DM, Kealey T: Peroxisome proliferator-activated receptor and farnesoid X receptor ligands differentially regulate sebaceous differentiation in human sebaceous gland organ cultures in vitro. Br J Dermatol. 2004 Oct;151(4):766-75." Investigational Leukotrienes Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids "Fatty Acids, Essential; Inflammation Mediators; Biological Factors; Lipids; Autacoids; Fatty Acids; Leukotrienes; Eicosanoids; Fatty Acids, Unsaturated; Arachidonic Acids" CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O 347829101 Leukotriene_B4 CHEMBL65061 DB12965 Silver BE0008688 MTF1 Q9Y4I5 MTL5_HUMAN binder 3952727 "Scheuhammer AM, Cherian MG: Quantification of metallothioneins by a silver-saturation method. Toxicol Appl Pharmacol. 1986 Mar 15;82(3):417-25." Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Metals; Transition Elements; Elements; Dermatologicals; Silver Compounds; Metals, Heavy; Antiseptics and Disinfectants" [Ag] 347829105 Silver 2606543 DB12965 Silver BE0001140 CP P00450 CERU_HUMAN binder Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Metals; Transition Elements; Elements; Dermatologicals; Silver Compounds; Metals, Heavy; Antiseptics and Disinfectants" [Ag] 347829105 Silver 2606543 DB12965 Silver BE0000910 A2M P01023 A2MG_HUMAN binder 21188244 Lansdown AB: A pharmacological and toxicological profile of silver as an antimicrobial agent in medical devices. Adv Pharmacol Sci. 2010;2010:910686. doi: 10.1155/2010/910686. Epub 2010 Aug 24. Approved; Investigational Homogeneous transition metal compounds Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds "Metals; Transition Elements; Elements; Dermatologicals; Silver Compounds; Metals, Heavy; Antiseptics and Disinfectants" [Ag] 347829105 Silver 2606543 DB12978 Pexidartinib BE0000453 KIT P10721 KIT_HUMAN inhibitor 28716061 "Cannarile MA, Weisser M, Jacob W, Jegg AM, Ries CH, Ruttinger D: Colony-stimulating factor 1 receptor (CSF1R) inhibitors in cancer therapy. J Immunother Cancer. 2017 Jul 18;5(1):53. doi: 10.1186/s40425-017-0257-y." Approved; Investigational Pyrrolopyridines Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cancer immunotherapy; Amines; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 Enzyme Inducers; Immunotherapy; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; OATP1B3 inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; UGT1A4 substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs FC(F)(F)C1=CC=C(CNC2=NC=C(CC3=CNC4=NC=C(Cl)C=C34)C=C2)C=N1 347829117 Pexidartinib CHEMBL3813873 2183102 DB12980 CHS-828 BE0002413 NAMPT P43490 NAMPT_HUMAN inhibitor 21144000 "Olesen UH, Petersen JG, Garten A, Kiess W, Yoshino J, Imai S, Christensen MK, Fristrup P, Thougaard AV, Bjorkling F, Jensen PB, Nielsen SJ, Sehested M: Target enzyme mutations are the molecular basis for resistance towards pharmacological inhibition of nicotinamide phosphoribosyltransferase. BMC Cancer. 2010 Dec 12;10:677. doi: 10.1186/1471-2407-10-677." Investigational Phenol ethers Organic compounds; Benzenoids; Phenol ethers Nitrogen Compounds; Anions; Ions; Amidines; Electrolytes ClC1=CC=C(OCCCCCCN\C(NC#N)=N\C2=CC=NC=C2)C=C1 347829119 CHEMBL17289 DB13003 Cortivazol BE0000794 NR3C1 P04150 GCR_HUMAN 15677712 "Yoshikawa N, Yamamoto K, Shimizu N, Yamada S, Morimoto C, Tanaka H: The distinct agonistic properties of the phenylpyrazolosteroid cortivazol reveal interdomain communication within the glucocorticoid receptor. Mol Endocrinol. 2005 May;19(5):1110-24. Epub 2005 Jan 27." Investigational Pregnane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Corticosteroids for Systemic Use; Anti-Inflammatory Agents; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Glucocorticoids; Pregnanes" C[C@@H]1C[C@H]2[C@@H]3C=C(C)C4=CC5=C(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O)C=NN5C1=CC=CC=C1 347829140 Cortivazol CHEMBL2105842 21660 DB13009 Carbendazim BE0003721 AHR P35869 AHR_HUMAN agonist 27286660 "Wei KL, Chen FY, Lin CY, Gao GL, Kao WY, Yeh CH, Chen CR, Huang HC, Tsai WR, Jong KJ, Li WJ, Su JG: Activation of aryl hydrocarbon receptor reduces carbendazim-induced cell death. Toxicol Appl Pharmacol. 2016 Sep 1;306:86-97. doi: 10.1016/j.taap.2016.06.004. Epub 2016 Jun 7." Investigational 2-benzimidazolylcarbamic acid esters Organic compounds; Organoheterocyclic compounds; Benzimidazoles; 2-benzimidazolylcarbamic acid esters "Mutagens; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Fungicides, Industrial; Pesticides; Agrochemicals; Acids, Acyclic; Noxae; Toxic Actions; Anthelmintics; Antinematodal Agents; Antiparasitic Agents; Compounds used in a research, industrial, or household setting" COC(=O)NC1=NC2=CC=CC=C2N1 347829145 Carbendazim CHEMBL70971 DB13025 Tiapride BE0000581 DRD3 P35462 DRD3_HUMAN blocker 11520476 "Scatton B, Cohen C, Perrault G, Oblin A, Claustre Y, Schoemaker H, Sanger DJ, Rouquier L, Porsolt R: The preclinical pharmacologic profile of tiapride. Eur Psychiatry. 2001 Jan;16 Suppl 1:29s-34s." Investigational Benzenesulfonyl compounds Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds "Amines; Benzene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Acids, Carbocyclic; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Ethylamines; Dopamine Agents" CCN(CC)CCNC(=O)C1=CC(=CC=C1OC)S(C)(=O)=O 347829159 D08590 Tiapride CHEMBL84158 10588 DB13025 Tiapride BE0004862 HTR1A P34969 5HT7R_HUMAN antagonist 11520476 "Scatton B, Cohen C, Perrault G, Oblin A, Claustre Y, Schoemaker H, Sanger DJ, Rouquier L, Porsolt R: The preclinical pharmacologic profile of tiapride. Eur Psychiatry. 2001 Jan;16 Suppl 1:29s-34s." Investigational Benzenesulfonyl compounds Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds "Amines; Benzene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Acids, Carbocyclic; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Ethylamines; Dopamine Agents" CCN(CC)CCNC(=O)C1=CC(=CC=C1OC)S(C)(=O)=O 347829159 D08590 Tiapride CHEMBL84158 10588 DB13025 Tiapride BE0004863 ADRA1A P25100 ADA1D_HUMAN antagonist 11520476 "Scatton B, Cohen C, Perrault G, Oblin A, Claustre Y, Schoemaker H, Sanger DJ, Rouquier L, Porsolt R: The preclinical pharmacologic profile of tiapride. Eur Psychiatry. 2001 Jan;16 Suppl 1:29s-34s." Investigational Benzenesulfonyl compounds Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds "Amines; Benzene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Acids, Carbocyclic; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Ethylamines; Dopamine Agents" CCN(CC)CCNC(=O)C1=CC(=CC=C1OC)S(C)(=O)=O 347829159 D08590 Tiapride CHEMBL84158 10588 DB13044 Gossypol BE0003510 BCL2L1 Q07817 B2CL1_HUMAN 16020667 "Bauer JA, Trask DK, Kumar B, Los G, Castro J, Lee JS, Chen J, Wang S, Bradford CR, Carey TE: Reversal of cisplatin resistance with a BH3 mimetic, (-)-gossypol, in head and neck cancer cells: role of wild-type p53 and Bcl-xL. Mol Cancer Ther. 2005 Jul;4(7):1096-104." Investigational Sesquiterpenoids Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids "Contraceptive Agents, Male; Adrenal Cortex Hormones; Sesquiterpenes; Hormonal Contraceptives for Systemic Use; Reproductive Control Agents; Terpenes" CC(C)C1=C2C=C(C)C(=C(O)C2=C(C=O)C(O)=C1O)C1=C(O)C2=C(C=O)C(O)=C(O)C(C(C)C)=C2C=C1C 347829175 Gossypol CHEMBL51483 DB13048 PAC-1 BE0001162 CASP3 P42574 CASP3_HUMAN activator 31943757; 19708658 "Huan LC, Anh DT, Truong BX, Duc PH, Hai PT, Duc-Anh L, Huong LT, Park EJ, Lee HJ, Kang JS, Tran PT, Thanh Hai DT, Kim Oanh DT, Han SB, Nam NH: New Acetohydrazides Incorporating 2-Oxoindoline and 4-Oxoquinazoline: Synthesis and Evaluation of Cytotoxicity and Caspase Activation Activity. Chem Biodivers. 2020 Mar;17(3):e1900670. doi: 10.1002/cbdv.201900670. Epub 2020 Feb 4.@@Peterson QP, Hsu DC, Goode DR, Novotny CJ, Totten RK, Hergenrother PJ: Procaspase-3 activation as an anti-cancer strategy: structure-activity relationship of procaspase-activating compound 1 (PAC-1) and its cellular co-localization with caspase-3. J Med Chem. 2009 Sep 24;52(18):5721-31. doi: 10.1021/jm900722z." Investigational N-piperazineacetamides Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines OC1=C(\C=N\NC(=O)CN2CCN(CC3=CC=CC=C3)CC2)C=CC=C1CC=C 347829178 PAC-1 CHEMBL591429 DB13061 MLN8054 BE0000991 AURKA O14965 AURKA_HUMAN Investigational Benzazepines Organic compounds; Organoheterocyclic compounds; Benzazepines "Protein Kinase Inhibitors; Heterocyclic Compounds, Fused-Ring" OC(=O)C1=CC=C(NC2=NC=C3CN=C(C4=C(C=CC(Cl)=C4)C3=N2)C2=C(F)C=CC=C2F)C=C1 347829189 CHEMBL259084 DB13125 Lusutrombopag BE0003440 MPL P40238 TPOR_HUMAN agonist 29274361; 26666417 "Yoshida H, Yamada H, Nogami W, Dohi K, Kurino-Yamada T, Sugiyama K, Takahashi K, Gahara Y, Kitaura M, Hasegawa M, Oshima I, Kuwabara K: Development of a new knock-in mouse model and evaluation of pharmacological activities of lusutrombopag, a novel, nonpeptidyl small-molecule agonist of the human thrombopoietin receptor c-Mpl. Exp Hematol. 2018 Mar;59:30-39.e2. doi: 10.1016/j.exphem.2017.12.005. Epub 2017 Dec 20.@@Kim ES: Lusutrombopag: First Global Approval. Drugs. 2016 Jan;76(1):155-8. doi: 10.1007/s40265-015-0525-4." Approved; Investigational Cinnamic acids Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Cinnamic acids "BCRP/ABCG2 Substrates; Acids, Carbocyclic; Blood and Blood Forming Organs; Hemostatics; Sulfur Compounds; Thrombopoietin Receptor Agonist; P-glycoprotein substrates" CCCCCCO[C@@H](C)C1=C(OC)C(=CC=C1)C1=CSC(NC(=O)C2=CC(Cl)=C(\C=C(/C)C(O)=O)C(Cl)=C2)=N1 347829248 Lusutrombopag CHEMBL2107831 2054984 DB13133 Von Willebrand factor human BE0000016 F8 P00451 FA8_HUMAN carrier 28379876; 26239086 "Brown R: Recombinant von Willebrand factor for severe gastrointestinal bleeding unresponsive to other treatments in a patient with type 2A von Willebrand disease: a case report. Blood Coagul Fibrinolysis. 2017 Oct;28(7):570-575. doi: 10.1097/MBC.0000000000000632.@@Gill JC, Castaman G, Windyga J, Kouides P, Ragni M, Leebeek FW, Obermann-Slupetzky O, Chapman M, Fritsch S, Pavlova BG, Presch I, Ewenstein B: Hemostatic efficacy, safety, and pharmacokinetics of a recombinant von Willebrand factor in severe von Willebrand disease. Blood. 2015 Oct 22;126(17):2038-46. doi: 10.1182/blood-2015-02-629873. Epub 2015 Aug 3." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Activity; Biological Factors; Increased Platelet Aggregation; Blood and Blood Forming Organs; Hemostatics; von Willebrand Factor; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins; von Willebrand Factor, antagonists & inhibitors" 13371 347911428 826072 DB13133 Von Willebrand factor human BE0002110 LRP1 Q07954 LRP1_HUMAN 25712991 "Lenting PJ, Christophe OD, Denis CV: von Willebrand factor biosynthesis, secretion, and clearance: connecting the far ends. Blood. 2015 Mar 26;125(13):2019-28. doi: 10.1182/blood-2014-06-528406. Epub 2015 Feb 23." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Activity; Biological Factors; Increased Platelet Aggregation; Blood and Blood Forming Organs; Hemostatics; von Willebrand Factor; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins; von Willebrand Factor, antagonists & inhibitors" 13371 347911428 826072 DB13144 Lenograstim BE0000793 CSF3R Q99062 CSF3R_HUMAN agonist Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antineoplastic and Immunomodulating Agents; Biological Factors; Colony-Stimulating Factors; Intercellular Signaling Peptides and Proteins; Immunologic Factors; Carbohydrates; Granulocyte Colony-Stimulating Factors; Hematologic Agents; Peptides; Adjuvants, Immunologic; Proteins; Cytokines; Glycoconjugates; Amino Acids, Peptides, and Proteins; Hematopoietic Cell Growth Factors; Glycoproteins" 347911430 Lenograstim 70167 DB13146 Fluciclovine (18F) BE0000236 SLC1A5 Q15758 AAAT_HUMAN binder Approved L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Diagnostic Radiopharmaceuticals; Cycloparaffins; Tumour Detection; Positron Emitting Activity; Radioactive Diagnostic Agent N[C@]1(C[C@H]([18F])C1)C(O)=O 347829262 Fluciclovine_(18F) CHEMBL254468 1796118 DB13146 Fluciclovine (18F) BE0000640 GRIA1 P42261 GRIA1_HUMAN inhibitor Approved L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Diagnostic Radiopharmaceuticals; Cycloparaffins; Tumour Detection; Positron Emitting Activity; Radioactive Diagnostic Agent N[C@]1(C[C@H]([18F])C1)C(O)=O 347829262 Fluciclovine_(18F) CHEMBL254468 1796118 DB13146 Fluciclovine (18F) BE0000829 GRIA2 P42262 GRIA2_HUMAN inhibitor Approved L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Diagnostic Radiopharmaceuticals; Cycloparaffins; Tumour Detection; Positron Emitting Activity; Radioactive Diagnostic Agent N[C@]1(C[C@H]([18F])C1)C(O)=O 347829262 Fluciclovine_(18F) CHEMBL254468 1796118 DB13146 Fluciclovine (18F) BE0000831 GRIA3 P42263 GRIA3_HUMAN inhibitor Approved L-alpha-amino acids "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" Diagnostic Radiopharmaceuticals; Cycloparaffins; Tumour Detection; Positron Emitting Activity; Radioactive Diagnostic Agent N[C@]1(C[C@H]([18F])C1)C(O)=O 347829262 Fluciclovine_(18F) CHEMBL254468 1796118 DB13149 Protein S human BE0000041 F5 P12259 FA5_HUMAN antagonist 8063724 "Hackeng TM, van 't Veer C, Meijers JC, Bouma BN: Human protein S inhibits prothrombinase complex activity on endothelial cells and platelets via direct interactions with factors Va and Xa. J Biol Chem. 1994 Aug 19;269(33):21051-8." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Biological Factors; Carbohydrates; Anticoagulants; Hematologic Agents; Proteins; Blood Coagulation Factors; Blood Coagulation Factor Inhibitors; Glycoconjugates; Blood Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins" 20132 347911433 34822 DB13149 Protein S human BE0000216 F10 P00742 FA10_HUMAN antagonist 8063724 "Hackeng TM, van 't Veer C, Meijers JC, Bouma BN: Human protein S inhibits prothrombinase complex activity on endothelial cells and platelets via direct interactions with factors Va and Xa. J Biol Chem. 1994 Aug 19;269(33):21051-8." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Biological Factors; Carbohydrates; Anticoagulants; Hematologic Agents; Proteins; Blood Coagulation Factors; Blood Coagulation Factor Inhibitors; Glycoconjugates; Blood Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins" 20132 347911433 34822 DB13150 Coagulation factor VII human BE0000216 F10 P00742 FA10_HUMAN activator Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Enzymes and Coenzymes; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 4235 347911434 4254 DB13151 Anti-inhibitor coagulant complex BE0000216 F10 P00742 FA10_HUMAN agonist 15385040 "Turecek PL, Varadi K, Gritsch H, Schwarz HP: FEIBA: mode of action. Haemophilia. 2004 Sep;10 Suppl 2:3-9." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Biological Factors; Blood and Blood Forming Organs; Coagulants; Hemostatics; Hematologic Agents; Reversed Anticoagulation Activity; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins" 96 347911435 314504 DB13151 Anti-inhibitor coagulant complex BE0000004 F13A1 P00488 F13A_HUMAN agonist 15385040 "Turecek PL, Varadi K, Gritsch H, Schwarz HP: FEIBA: mode of action. Haemophilia. 2004 Sep;10 Suppl 2:3-9." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Biological Factors; Blood and Blood Forming Organs; Coagulants; Hemostatics; Hematologic Agents; Reversed Anticoagulation Activity; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins" 96 347911435 314504 DB13151 Anti-inhibitor coagulant complex BE0000041 F5 P12259 FA5_HUMAN agonist 15385040 "Turecek PL, Varadi K, Gritsch H, Schwarz HP: FEIBA: mode of action. Haemophilia. 2004 Sep;10 Suppl 2:3-9." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Biological Factors; Blood and Blood Forming Organs; Coagulants; Hemostatics; Hematologic Agents; Reversed Anticoagulation Activity; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins" 96 347911435 314504 DB13151 Anti-inhibitor coagulant complex BE0000016 F8 P00451 FA8_HUMAN agonist 15385040 "Turecek PL, Varadi K, Gritsch H, Schwarz HP: FEIBA: mode of action. Haemophilia. 2004 Sep;10 Suppl 2:3-9." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Biological Factors; Blood and Blood Forming Organs; Coagulants; Hemostatics; Hematologic Agents; Reversed Anticoagulation Activity; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins" 96 347911435 314504 DB13151 Anti-inhibitor coagulant complex BE0000333 F7 P08709 FA7_HUMAN agonist 15385040 "Turecek PL, Varadi K, Gritsch H, Schwarz HP: FEIBA: mode of action. Haemophilia. 2004 Sep;10 Suppl 2:3-9." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Biological Factors; Blood and Blood Forming Organs; Coagulants; Hemostatics; Hematologic Agents; Reversed Anticoagulation Activity; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins" 96 347911435 314504 DB13152 Coagulation Factor IX Human BE0000216 F10 P00742 FA10_HUMAN activator 1391956; 8083242; 9079657; 10933803; 10919405; 11752352; 659613 "Worfolk LA, Robinson RA, Tracy PB: Factor Xa interacts with two sites on monocytes with different functional activities. Blood. 1992 Oct 15;80(8):1989-97.@@Jones KC, Mann KG: A model for the tissue factor pathway to thrombin. II. A mathematical simulation. J Biol Chem. 1994 Sep 16;269(37):23367-73.@@Ambrosini G, Plescia J, Chu KC, High KA, Altieri DC: Activation-dependent exposure of the inter-EGF sequence Leu83-Leu88 in factor Xa mediates ligand binding to effector cell protease receptor-1. J Biol Chem. 1997 Mar 28;272(13):8340-5.@@London FS, Walsh PN: Zymogen factor IX potentiates factor IXa-catalyzed factor X activation. Biochemistry. 2000 Aug 15;39(32):9850-8.@@Scandella DH: Properties of anti-factor VIII inhibitor antibodies in hemophilia A patients. Semin Thromb Hemost. 2000;26(2):137-42.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Di Scipio RG, Kurachi K, Davie EW: Activation of human factor IX (Christmas factor). J Clin Invest. 1978 Jun;61(6):1528-38." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Enzymes and Coenzymes; Hemostatics; Proteins; Blood Coagulation Factors; Factor IX; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 90 347911436 221099 DB13152 Coagulation Factor IX Human BE0001021 F11 P03951 FA11_HUMAN ligand 10593931; 11342438; 659613 "Sun MF, Zhao M, Gailani D: Identification of amino acids in the factor XI apple 3 domain required for activation of factor IX. J Biol Chem. 1999 Dec 17;274(51):36373-8.@@Gailani D, Ho D, Sun MF, Cheng Q, Walsh PN: Model for a factor IX activation complex on blood platelets: dimeric conformation of factor XIa is essential. Blood. 2001 May 15;97(10):3117-22.@@Di Scipio RG, Kurachi K, Davie EW: Activation of human factor IX (Christmas factor). J Clin Invest. 1978 Jun;61(6):1528-38." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Enzymes and Coenzymes; Hemostatics; Proteins; Blood Coagulation Factors; Factor IX; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 90 347911436 221099 DB13152 Coagulation Factor IX Human BE0000333 F7 P08709 FA7_HUMAN ligand 10192655; 10381508; 10498586; 10617609; 10938981; 659613 "Baker DC, Robbe SL, Jacobson L, Manco-Johnson MJ, Holler L, Lefkowitz J: Hereditary deficiency of vitamin-K-dependent coagulation factors in Rambouillet sheep. Blood Coagul Fibrinolysis. 1999 Mar;10(2):75-80.@@Hertzberg MS, Facey SL, Hogg PJ: An Arg/Ser substitution in the second epidermal growth factor-like module of factor IX introduces an O-linked carbohydrate and markedly impairs activation by factor XIa and factor VIIa/Tissue factor and catalytic efficiency of factor IXa. Blood. 1999 Jul 1;94(1):156-63.@@Butenas S, van't Veer C, Mann KG: ""Normal"" thrombin generation. Blood. 1999 Oct 1;94(7):2169-78.@@Celie PH, Lenting PJ, Mertens K: Hydrophobic contact between the two epidermal growth factor-like domains of blood coagulation factor IX contributes to enzymatic activity. J Biol Chem. 2000 Jan 7;275(1):229-34.@@Shord SS, Lindley CM: Coagulation products and their uses. Am J Health Syst Pharm. 2000 Aug 1;57(15):1403-17; quiz 1418-20.@@Di Scipio RG, Kurachi K, Davie EW: Activation of human factor IX (Christmas factor). J Clin Invest. 1978 Jun;61(6):1528-38." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Enzymes and Coenzymes; Hemostatics; Proteins; Blood Coagulation Factors; Factor IX; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 90 347911436 221099 DB13152 Coagulation Factor IX Human BE0000016 F8 P00451 FA8_HUMAN cofactor 11150722; 12719776; 12826528; 14598591; 16476097; 659613 "Neels JG, Bovenschen N, van Zonneveld AJ, Lenting PJ: Interaction between factor VIII and LDL receptor-related protein. Modulation of coagulation? Trends Cardiovasc Med. 2000 Jan;10(1):8-14.@@Carr ME Jr, Martin EJ, Kuhn JG, Seremetis SV: Effects of recombinant factor VIIa on platelet function and clot structure in blood with deficient prothrombin conversion. Thromb Haemost. 2003 May;89(5):803-11.@@Federici AB: The factor VIII/von Willebrand factor complex: basic and clinical issues. Haematologica. 2003 Jun;88(6):EREP02.@@Kalashnikova LA, Berkovskii AL, Dobrynina LA, Sergeeva EV, Kozlov AA, Aleksandrova EN, Nasonov EL: [Clotting factor VIII in Sneddon syndrome]. Klin Med (Mosk). 2003;81(9):42-5.@@Johansen RF, Sorensen B, Ingerslev J: Acquired haemophilia: dynamic whole blood coagulation utilized to guide haemostatic therapy. Haemophilia. 2006 Mar;12(2):190-7.@@Di Scipio RG, Kurachi K, Davie EW: Activation of human factor IX (Christmas factor). J Clin Invest. 1978 Jun;61(6):1528-38." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Enzymes and Coenzymes; Hemostatics; Proteins; Blood Coagulation Factors; Factor IX; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 90 347911436 221099 DB13152 Coagulation Factor IX Human BE0002110 LRP1 Q07954 LRP1_HUMAN 17139284; 17016423; 12522212 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Rohlena J, Kolkman JA, Boertjes RC, Mertens K, Lenting PJ: Residues Phe342-Asn346 of activated coagulation factor IX contribute to the interaction with low density lipoprotein receptor-related protein. J Biol Chem. 2003 Mar 14;278(11):9394-401. Epub 2003 Jan 9." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Enzymes and Coenzymes; Hemostatics; Proteins; Blood Coagulation Factors; Factor IX; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 90 347911436 221099 DB13155 Esculin BE0000132 AR P10275 ANDR_HUMAN agonist Approved Coumarin glycosides Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Coumarin glycosides "Heterocyclic Compounds, Fused-Ring; Benzopyrans; Glucosides; Glycosides; Carbohydrates; Pyrans; Coumarins" OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O 9068 347829265 Aesculin CHEMBL482581 1314351 DB13158 Clobetasone BE0000794 NR3C1 P04150 GCR_HUMAN agonist Approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Substrates; Sensory Organs; Drugs that are Mainly Renally Excreted; Steroids; Pregnadienetriols; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Ointments; Pregnadienes; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]2(C)[C@@]1(O)C(=O)CCl 7557 347829268 D07717 Clobetasone 108074 DB13164 Olmutinib BE0000767 EGFR P00533 EGFR_HUMAN inhibitor 26898616 "Tan CS, Cho BC, Soo RA: Next-generation epidermal growth factor receptor tyrosine kinase inhibitors in epidermal growth factor receptor -mutant non-small cell lung cancer. Lung Cancer. 2016 Mar;93:59-68. doi: 10.1016/j.lungcan.2016.01.003. Epub 2016 Jan 8.@@Kwang O-K, Cha MY, Kim M, Song JY, Lee J-H, Kim YH, Lee Y-M, Suh KH, Son J.: Abstract LB-100: Discovery of HM61713 as an orally available and mutant EGFR selective inhibitor Cancer Res. 2014 October;74(19 Suppl.):Abstract nr LB-100." Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines Antineoplastic and Immunomodulating Agents; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors CN1CCN(CC1)C1=CC=C(NC2=NC(OC3=CC=CC(NC(=O)C=C)=C3)=C3SC=CC3=N2)C=C1 347829271 D10859 Olmutinib CHEMBL3786343 DB13165 Ripasudil BE0001016 ROCK1 Q13464 ROCK1_HUMAN inhibitor Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives "rho-Associated Kinases, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Ophthalmologicals; Sulfones; Antiglaucoma Preparations and Miotics; Sulfur Compounds; Amides; Sensory Organs" C[C@H]1CNCCCN1S(=O)(=O)C1=C2C(F)=CN=CC2=CC=C1 347829272 Ripasudil CHEMBL3426621 DB13165 Ripasudil BE0004191 ROCK2 O75116 ROCK2_HUMAN inhibitor Experimental Isoquinolines and derivatives Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives "rho-Associated Kinases, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Ophthalmologicals; Sulfones; Antiglaucoma Preparations and Miotics; Sulfur Compounds; Amides; Sensory Organs" C[C@H]1CNCCCN1S(=O)(=O)C1=C2C(F)=CN=CC2=CC=C1 347829272 Ripasudil CHEMBL3426621 DB13170 Plecanatide BE0003578 GUCY1A2 P33402 GCYA2_HUMAN agonist Approved; Investigational Polypeptides Organic compounds; Organic Polymers; Polypeptides "Guanylyl Cyclase C Agonists; Guanylate Cyclase-C Agonist; Peptide Hormones; Guanylate Cyclase Activators; Laxatives; Peptides; Alimentary Tract and Metabolism; Hormones; Miscellaneous GI Drugs; Receptors, Guanylate Cyclase-Coupled, agonists; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Enzyme Activators; Drugs for Constipation; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CSSC[C@H](NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC2=O)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O 23373 347829276 Plecanatide CHEMBL2103867 1873752 DB13173 Cerliponase alfa BE0003623 IGF2R P11717 MPRI_HUMAN ligand 22792360 "Meng Y, Sohar I, Wang L, Sleat DE, Lobel P: Systemic administration of tripeptidyl peptidase I in a mouse model of late infantile neuronal ceroid lipofuscinosis: effect of glycan modification. PLoS One. 2012;7(7):e40509. doi: 10.1371/journal.pone.0040509. Epub 2012 Jul 6." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptide Hydrolases; Hydrolases; Enzymes and Coenzymes; Exopeptidases; Proteins; Hydrolytic Lysosomal N-terminal Tripeptidyl Peptidase; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism; Enzymes" 23028 347911440 D10813 Cerliponase_alfa CHEMBL3544921 1922436 DB13174 Rhein BE0001598 NR1H2 P55055 NR1H2_HUMAN inhibitor 23139635 "Sheng X, Zhu X, Zhang Y, Cui G, Peng L, Lu X, Zang YQ: Rhein protects against obesity and related metabolic disorders through liver X receptor-mediated uncoupling protein 1 upregulation in brown adipose tissue. Int J Biol Sci. 2012;8(10):1375-84. doi: 10.7150/ijbs.4575. Epub 2012 Oct 29." Experimental Anthracenecarboxylic acids Organic compounds; Benzenoids; Anthracenes; Anthracenecarboxylic acids and derivatives "Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Quinones; Enzyme Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP2D6 Inhibitors (moderate); Anthracenes; Cytochrome P-450 CYP1A2 Inhibitors; NADH, NADPH Oxidoreductases, antagonists & inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" OC(=O)C1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2=O 347829278 Rhein_(molecule) CHEMBL418068 DB13191 Phosphocreatine BE0000410 CKMT2 P17540 KCRS_HUMAN ligand 17139284; 17016423; 10567223; 8399219; 9642223; 1731757 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Koufen P, Ruck A, Brdiczka D, Wendt S, Wallimann T, Stark G: Free radical-induced inactivation of creatine kinase: influence on the octameric and dimeric states of the mitochondrial enzyme (Mib-CK). Biochem J. 1999 Dec 1;344 Pt 2:413-7.@@Wyss M, James P, Schlegel J, Wallimann T: Limited proteolysis of creatine kinase. Implications for three-dimensional structure and for conformational substrates. Biochemistry. 1993 Oct 12;32(40):10727-35.@@Stachowiak O, Dolder M, Wallimann T, Richter C: Mitochondrial creatine kinase is a prime target of peroxynitrite-induced modification and inactivation. J Biol Chem. 1998 Jul 3;273(27):16694-9.@@Wallimann T, Wyss M, Brdiczka D, Nicolay K, Eppenberger HM: Intracellular compartmentation, structure and function of creatine kinase isoenzymes in tissues with high and fluctuating energy demands: the 'phosphocreatine circuit' for cellular energy homeostasis. Biochem J. 1992 Jan 1;281 ( Pt 1):21-40." Nutraceutical Alpha amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Phosphoamino Acids; Amino Acids; Cardiovascular Agents; Cardiac Therapy; Protective Agents; Compounds used in a research, industrial, or household setting; Drugs that are Mainly Renally Excreted; Amino Acids, Peptides, and Proteins; Cardiotonic Agents" CN(CC(O)=O)C(=N)NP(O)(O)=O 347829286 Phosphocreatine CHEMBL1204644 DB13192 Antihemophilic factor human BE0000216 F10 P00742 FA10_HUMAN activator Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Hemophilia A; Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Coagulants; Factor VIII; Hemostatics; Hematologic Agents; Proteins; Blood Coagulation Factors; Human Antihemophilic Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 9847 347911441 203083 DB13200 Lipegfilgrastim BE0000793 CSF3R Q99062 CSF3R_HUMAN agonist Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Colony-Stimulating Factors; Intercellular Signaling Peptides and Proteins; Carbohydrates; Adjuvants, Immunologic; Hematopoietic Cell Growth Factors; Amino Acids, Peptides, and Proteins; Glycoproteins; Glycols; Alcohols; Proteins; Macromolecular Substances; Glycoconjugates; Biological Factors; Peptides; Cytokines; Antineoplastic and Immunomodulating Agents; Polymers; Granulocyte Colony-Stimulating Factors; Ethylene Glycols; Pegylated agents" Lipegfilgrastim 1440046 DB13257 Ferrous sulfate anhydrous BE0004850 TFRC Q9UP52 TFR2_HUMAN substrate 24310424; 21694802; 18954837 "Geisser P, Burckhardt S: The pharmacokinetics and pharmacodynamics of iron preparations. Pharmaceutics. 2011 Jan 4;3(1):12-33. doi: 10.3390/pharmaceutics3010012.@@Johnson-Wimbley TD, Graham DY: Diagnosis and management of iron deficiency anemia in the 21st century. Therap Adv Gastroenterol. 2011 May;4(3):177-84. doi: 10.1177/1756283X11398736.@@Alleyne M, Horne MK, Miller JL: Individualized treatment for iron-deficiency anemia in adults. Am J Med. 2008 Nov;121(11):943-8. doi: 10.1016/j.amjmed.2008.07.012." Approved Transition metal sulfates Inorganic compounds; Mixed metal/non-metal compounds; Transition metal oxoanionic compounds; Transition metal sulfates "Minerals; Polyvalent cation containing laxatives, antacids, oral supplements; Organometallic Compounds; Pharmaceutical Preparations; Iron Compounds; Hematinics; Delayed-Action Preparations; Iron Preparations; Anemia, Iron-Deficiency" [Fe++].[O-]S([O-])(=O)=O 4839 347829289 Iron(II)_sulfate CHEMBL1200830 DB13310 Ormeloxifene BE0000123 ESR1 P03372 ESR1_HUMAN modulator 17280556; 28458475 "Awasthi S, Blesson CS, Dwivedi A: Expression of oestrogen receptors alpha and beta during the period of uterine receptivity in rat: effect of ormeloxifene, a selective oestrogen receptor modulator. Acta Physiol (Oxf). 2007 Jan;189(1):47-56. doi: 10.1111/j.1748-1716.2006.01638.x.@@Pati T, Chanania K, Marandi S, Hansa J: Ormeloxifene - Looking beyond contraception. J Midlife Health. 2017 Jan-Mar;8(1):17-20. doi: 10.4103/jmh.JMH_71_16." Experimental 7-O-methylated isoflavonoids Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; O-methylated isoflavonoids "Selective Estrogen Receptor Modulators; Chromans; Contraceptives, Oral; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Adrenal Cortex Hormones; Pyrans; Contraceptives, Postcoital; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Contraceptive Agents, Female; Genito Urinary System and Sex Hormones; Hormone Antagonists; Estrogen Antagonists; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]1(C2=CC=C(OCCN3CCCC3)C=C2)C2=C(OC(C)(C)[C@@]1([H])C1=CC=CC=C1)C=C(OC)C=C2 Ormeloxifene CHEMBL301327 DB13310 Ormeloxifene BE0000792 ESR2 Q92731 ESR2_HUMAN modulator 17280556; 28458475 "Awasthi S, Blesson CS, Dwivedi A: Expression of oestrogen receptors alpha and beta during the period of uterine receptivity in rat: effect of ormeloxifene, a selective oestrogen receptor modulator. Acta Physiol (Oxf). 2007 Jan;189(1):47-56. doi: 10.1111/j.1748-1716.2006.01638.x.@@Pati T, Chanania K, Marandi S, Hansa J: Ormeloxifene - Looking beyond contraception. J Midlife Health. 2017 Jan-Mar;8(1):17-20. doi: 10.4103/jmh.JMH_71_16." Experimental 7-O-methylated isoflavonoids Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; O-methylated isoflavonoids "Selective Estrogen Receptor Modulators; Chromans; Contraceptives, Oral; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Adrenal Cortex Hormones; Pyrans; Contraceptives, Postcoital; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Contraceptive Agents, Female; Genito Urinary System and Sex Hormones; Hormone Antagonists; Estrogen Antagonists; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]1(C2=CC=C(OCCN3CCCC3)C=C2)C2=C(OC(C)(C)[C@@]1([H])C1=CC=CC=C1)C=C(OC)C=C2 Ormeloxifene CHEMBL301327 DB13335 Pinazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Experimental "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Psycholeptics" ClC1=CC2=C(C=C1)N(CC#C)C(=O)CN=C2C1=CC=CC=C1 Pinazepam CHEMBL1213352 DB13345 Dihydroergocristine BE0004862 HTR1A P34969 5HT7R_HUMAN antagonist 1492857 Coppi G: [Dihydroergocristine. A review of pharmacology and toxicology]. Arzneimittelforschung. 1992 Nov;42(11A):1381-90. Approved; Experimental Lysergamides Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Ergotamines; Adrenergic Antagonists; Vasodilating Agents; Neurotransmitter Agents; Alkaloids; Cytochrome P-450 CYP3A Substrates; Agents that produce hypertension; Adrenergic Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Ergot Alkaloids and Derivatives; BSEP/ABCB11 Substrates" [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C D07834 Dihydroergocristine CHEMBL601773 3416 DB13345 Dihydroergocristine BE0004872 ADRB1 P13945 ADRB3_HUMAN antagonist 1492857 Coppi G: [Dihydroergocristine. A review of pharmacology and toxicology]. Arzneimittelforschung. 1992 Nov;42(11A):1381-90. Approved; Experimental Lysergamides Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives "Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Ergotamines; Adrenergic Antagonists; Vasodilating Agents; Neurotransmitter Agents; Alkaloids; Cytochrome P-450 CYP3A Substrates; Agents that produce hypertension; Adrenergic Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Ergot Alkaloids and Derivatives; BSEP/ABCB11 Substrates" [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C D07834 Dihydroergocristine CHEMBL601773 3416 DB13346 Bufexamac BE0009579 HDAC10 Q969S8 HDA10_HUMAN inhibitor 21258344 "Bantscheff M, Hopf C, Savitski MM, Dittmann A, Grandi P, Michon AM, Schlegl J, Abraham Y, Becher I, Bergamini G, Boesche M, Delling M, Dumpelfeld B, Eberhard D, Huthmacher C, Mathieson T, Poeckel D, Reader V, Strunk K, Sweetman G, Kruse U, Neubauer G, Ramsden NG, Drewes G: Chemoproteomics profiling of HDAC inhibitors reveals selective targeting of HDAC complexes. Nat Biotechnol. 2011 Mar;29(3):255-65. doi: 10.1038/nbt.1759. Epub 2011 Jan 23." Approved; Withdrawn Phenylacetamides Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetamides "Non COX-2 selective NSAIDS; Sensory System Agents; Amines; Antiinflammatory Preparations, Non-Steroids for Topical Use; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Hydroxylamines; Nephrotoxic agents; Amides; Benzene Derivatives; Acetic Acid Derivatives and Related Substances; Acetamides; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Histone Deacetylase Inhibitors; Hydroxy Acids; Antineoplastic Agents; Musculo-Skeletal System; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Peripheral Nervous System Agents; Analgesics; Benzeneacetamides; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Antirheumatic Agents; Hydroxamic Acids" CCCCOC1=CC=C(CC(=O)NO)C=C1 2119 347829293 D01271 Bufexamac CHEMBL94394 1796 DB13437 Medazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Experimental "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Muscle Relaxants, Centrally Acting Agents; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Muscle Relaxants; Psycholeptics; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Peripheral Nervous System Agents; Benzazepines; Neuromuscular Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anticonvulsants" CN1CCN=C(C2=CC=CC=C2)C2=C1C=CC(Cl)=C2 Medazepam CHEMBL28333 6680 DB13520 Metergoline BE0002081 SCN2A Q99250 SCN2A_HUMAN inhibitor 24909513 "Lee JH, Liu J, Shin M, Hong M, Nah SY, Bae H: Metergoline inhibits the neuronal Nav1.2 voltage-dependent Na(+) channels expressed in Xenopus oocytes. Acta Pharmacol Sin. 2014 Jul;35(7):862-8. doi: 10.1038/aps.2014.30. Epub 2014 Jun 9." Approved Indoloquinolines Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines "Serotonin Agents; Heterocyclic Compounds, Fused-Ring; Ergolines; Central Nervous System Depressants; Neurotransmitter Agents; Alkaloids; Prolactine Inhibitors; Serotonin Receptor Agonists; Agents that produce hypertension; Ergot Alkaloids and Derivatives; Genito Urinary System and Sex Hormones; Ergot-derivative Dopamine Receptor Agonists; Serotonin Receptor Antagonists; Dopamine Agents; Antidepressive Agents; Dopamine Agonists" [H][C@@]12CC3=CN(C)C4=CC=CC(=C34)[C@@]1([H])C[C@@H](CNC(=O)OCC1=CC=CC=C1)CN2C 347829303 D07218 Metergoline CHEMBL19215 6834 DB13581 Rociverine BE0000560 CHRM2 P08172 ACM2_HUMAN antagonist 8575526 "Barbier P, Renzetti AR, Turbanti L, Di Bugno C, Fornai F, Vaglini F, Maggio R, Corsini GU: Stereoselective inhibition of muscarinic receptor subtypes by the eight stereoisomers related to rociverine. Eur J Pharmacol. 1995 Jul 18;290(2):125-32." Experimental Cyclohexanols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Anticholinergic Agents; Muscarinic Antagonists; Cycloparaffins; Drugs for Functional Gastrointestinal Disorders; Acids, Carbocyclic; Parasympatholytics; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Agents producing tachycardia; Peripheral Nervous System Agents; Cyclohexanes; Autonomic Agents; Alimentary Tract and Metabolism" CCN(CC)CC(C)OC(=O)[C@H]1CCCC[C@]1(O)C1CCCCC1 Rociverine DB13581 Rociverine BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 8575526 "Barbier P, Renzetti AR, Turbanti L, Di Bugno C, Fornai F, Vaglini F, Maggio R, Corsini GU: Stereoselective inhibition of muscarinic receptor subtypes by the eight stereoisomers related to rociverine. Eur J Pharmacol. 1995 Jul 18;290(2):125-32." Experimental Cyclohexanols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Anticholinergic Agents; Muscarinic Antagonists; Cycloparaffins; Drugs for Functional Gastrointestinal Disorders; Acids, Carbocyclic; Parasympatholytics; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Agents producing tachycardia; Peripheral Nervous System Agents; Cyclohexanes; Autonomic Agents; Alimentary Tract and Metabolism" CCN(CC)CC(C)OC(=O)[C@H]1CCCC[C@]1(O)C1CCCCC1 Rociverine DB13581 Rociverine BE0000247 CHRM5 P08912 ACM5_HUMAN antagonist 8575526 "Barbier P, Renzetti AR, Turbanti L, Di Bugno C, Fornai F, Vaglini F, Maggio R, Corsini GU: Stereoselective inhibition of muscarinic receptor subtypes by the eight stereoisomers related to rociverine. Eur J Pharmacol. 1995 Jul 18;290(2):125-32." Experimental Cyclohexanols Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols "Anticholinergic Agents; Muscarinic Antagonists; Cycloparaffins; Drugs for Functional Gastrointestinal Disorders; Acids, Carbocyclic; Parasympatholytics; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Agents producing tachycardia; Peripheral Nervous System Agents; Cyclohexanes; Autonomic Agents; Alimentary Tract and Metabolism" CCN(CC)CC(C)OC(=O)[C@H]1CCCC[C@]1(O)C1CCCCC1 Rociverine DB13615 Mifamurtide BE0009323 NOD2 Q9HC29 NOD2_HUMAN ligand 21226638; 20596505 "Ando K, Mori K, Corradini N, Redini F, Heymann D: Mifamurtide for the treatment of nonmetastatic osteosarcoma. Expert Opin Pharmacother. 2011 Feb;12(2):285-92. doi: 10.1517/14656566.2011.543129.@@Kager L, Potschger U, Bielack S: Review of mifamurtide in the treatment of patients with osteosarcoma. Ther Clin Risk Manag. 2010 Jun 24;6:279-86." Approved; Experimental "Cancer immunotherapy; Carbohydrates; Adjuvants, Immunologic; Muramic Acids; Amino Sugars; Amino Acids, Peptides, and Proteins; Phosphatidic Acids; Immunotherapy; Immunologic Factors; Glycerophosphates; Phospholipids; Lipids; Glycerophospholipids; Peptides; Sugar Acids; Antineoplastic and Immunomodulating Agents; Glycopeptides; Membrane Lipids" O.[Na+].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCCNC(=O)[C@H](C)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](NC(C)=O)C=O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC Mifamurtide DB13643 Loprazolam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Experimental "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Hypnotics and Sedatives; Psychotropic Drugs; Tranquilizing Agents; Benzodiazepine hypnotics and sedatives; Nervous System; Psycholeptics" [H]\C(N1CCN(C)CC1)=C1\N=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(=C3)N(=O)=O)N2C1=O 347829308 Loprazolam CHEMBL2107448 38555 DB13720 Diphemanil BE0000045 CHRM3 P20309 ACM3_HUMAN antagonist 17139284; 17016423; 11752352 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Vet_approved; Withdrawn Diphenylmethanes Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes "Anticholinergic Agents; Muscarinic Antagonists; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Drugs for Functional Gastrointestinal Disorders; Parasympatholytics; Anti-Asthmatic Agents; Bronchodilator Agents; Agents producing tachycardia; Respiratory System Agents; Peripheral Nervous System Agents; Autonomic Agents; Alimentary Tract and Metabolism" C[N+]1(C)CCC(CC1)=C(C1=CC=CC=C1)C1=CC=CC=C1 Diphemanil_metilsulfate CHEMBL1201340 89782 DB13729 Camostat BE0009920 TMPRSS2 O15393 TMPS2_HUMAN inhibitor 32142651 "Hoffmann M, Kleine-Weber H, Schroeder S, Kruger N, Herrler T, Erichsen S, Schiergens TS, Herrler G, Wu NH, Nitsche A, Muller MA, Drosten C, Pohlmann S: SARS-CoV-2 Cell Entry Depends on ACE2 and TMPRSS2 and Is Blocked by a Clinically Proven Protease Inhibitor. Cell. 2020 Apr 16;181(2):271-280.e8. doi: 10.1016/j.cell.2020.02.052. Epub 2020 Mar 5." Experimental Depsides and depsidones Organic compounds; Phenylpropanoids and polyketides; Depsides and depsidones Protease Inhibitors; Serine Protease Inhibitors; Antifibrinolytic Agents; Enzyme Inhibitors; Amidines; Blood and Blood Forming Organs; Guanidines; Hemostatics; Trypsin Inhibitors; Proteinase Inhibitors CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(NC(N)=N)C=C2)C=C1 Camostat CHEMBL590799 DB13746 Bioallethrin BE0009738 SCN1A Q15858 SCN9A_HUMAN modulator 8841090; 22465659 "Narahashi T: Neuronal ion channels as the target sites of insecticides. Pharmacol Toxicol. 1996 Jul;79(1):1-14.@@McCavera SJ, Soderlund DM: Differential state-dependent modification of inactivation-deficient Nav1.6 sodium channels by the pyrethroid insecticides S-bioallethrin, tefluthrin and deltamethrin. Neurotoxicology. 2012 Jun;33(3):384-90. doi: 10.1016/j.neuro.2012.03.007. Epub 2012 Mar 28." Approved; Experimental "Cytochrome P-450 CYP3A Substrates; Pesticides; Pyrethrins; Insecticides; Cytochrome P-450 CYP2C8 Substrates; Stereoisomerism; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antiparasitic Products, Insecticides and Repellents; Calcium Channel Blockers; Pyrethrines, Incl. Synthetic Compounds; Monoterpenes; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Ectoparasiticides, Incl. Scabicides; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Cyclopentane Monoterpenes; Cytochrome P-450 CYP2C9 Substrates; Agrochemicals; Bradycardia-Causing Agents; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents" CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C 2024 347829312 Bioallethrin CHEMBL1872535 19338 DB13746 Bioallethrin BE0004902 CACNG1 Q9P0X4 CAC1I_HUMAN agonist 20881019 "Cao Z, Shafer TJ, Murray TF: Mechanisms of pyrethroid insecticide-induced stimulation of calcium influx in neocortical neurons. J Pharmacol Exp Ther. 2011 Jan;336(1):197-205. doi: 10.1124/jpet.110.171850. Epub 2010 Sep 29." Approved; Experimental "Cytochrome P-450 CYP3A Substrates; Pesticides; Pyrethrins; Insecticides; Cytochrome P-450 CYP2C8 Substrates; Stereoisomerism; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antiparasitic Products, Insecticides and Repellents; Calcium Channel Blockers; Pyrethrines, Incl. Synthetic Compounds; Monoterpenes; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Ectoparasiticides, Incl. Scabicides; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Cyclopentane Monoterpenes; Cytochrome P-450 CYP2C9 Substrates; Agrochemicals; Bradycardia-Causing Agents; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents" CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C 2024 347829312 Bioallethrin CHEMBL1872535 19338 DB13746 Bioallethrin BE0008716 CACNA1G Q9P0X4 CAC1I_HUMAN blocker 14634047 "Hildebrand ME, McRory JE, Snutch TP, Stea A: Mammalian voltage-gated calcium channels are potently blocked by the pyrethroid insecticide allethrin. J Pharmacol Exp Ther. 2004 Mar;308(3):805-13. doi: 10.1124/jpet.103.058792. Epub 2003 Nov 21." Approved; Experimental "Cytochrome P-450 CYP3A Substrates; Pesticides; Pyrethrins; Insecticides; Cytochrome P-450 CYP2C8 Substrates; Stereoisomerism; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antiparasitic Products, Insecticides and Repellents; Calcium Channel Blockers; Pyrethrines, Incl. Synthetic Compounds; Monoterpenes; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Ectoparasiticides, Incl. Scabicides; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Cyclopentane Monoterpenes; Cytochrome P-450 CYP2C9 Substrates; Agrochemicals; Bradycardia-Causing Agents; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents" CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C 2024 347829312 Bioallethrin CHEMBL1872535 19338 DB13746 Bioallethrin BE0008717 CACNA1A O00555 CAC1A_HUMAN blocker 14634047 "Hildebrand ME, McRory JE, Snutch TP, Stea A: Mammalian voltage-gated calcium channels are potently blocked by the pyrethroid insecticide allethrin. J Pharmacol Exp Ther. 2004 Mar;308(3):805-13. doi: 10.1124/jpet.103.058792. Epub 2003 Nov 21." Approved; Experimental "Cytochrome P-450 CYP3A Substrates; Pesticides; Pyrethrins; Insecticides; Cytochrome P-450 CYP2C8 Substrates; Stereoisomerism; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antiparasitic Products, Insecticides and Repellents; Calcium Channel Blockers; Pyrethrines, Incl. Synthetic Compounds; Monoterpenes; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Ectoparasiticides, Incl. Scabicides; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Cyclopentane Monoterpenes; Cytochrome P-450 CYP2C9 Substrates; Agrochemicals; Bradycardia-Causing Agents; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents" CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C 2024 347829312 Bioallethrin CHEMBL1872535 19338 DB13746 Bioallethrin BE0008715 CACNA1C O00555 CAC1A_HUMAN blocker 14634047 "Hildebrand ME, McRory JE, Snutch TP, Stea A: Mammalian voltage-gated calcium channels are potently blocked by the pyrethroid insecticide allethrin. J Pharmacol Exp Ther. 2004 Mar;308(3):805-13. doi: 10.1124/jpet.103.058792. Epub 2003 Nov 21." Approved; Experimental "Cytochrome P-450 CYP3A Substrates; Pesticides; Pyrethrins; Insecticides; Cytochrome P-450 CYP2C8 Substrates; Stereoisomerism; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antiparasitic Products, Insecticides and Repellents; Calcium Channel Blockers; Pyrethrines, Incl. Synthetic Compounds; Monoterpenes; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Ectoparasiticides, Incl. Scabicides; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Cyclopentane Monoterpenes; Cytochrome P-450 CYP2C9 Substrates; Agrochemicals; Bradycardia-Causing Agents; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents" CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C 2024 347829312 Bioallethrin CHEMBL1872535 19338 DB13751 Glycyrrhizic acid BE0000329 HSD11B1 P28845 DHI1_HUMAN antagonist Approved; Experimental Triterpene saponins Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides "Pentacyclic Triterpenes; Anti-Inflammatory Agents; Liver Therapy, Lipotropics; Triterpenes; Liver Therapy; Bile and Liver Therapy; Alimentary Tract and Metabolism; BSEP/ABCB11 Substrates; Terpenes" [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O 659 D00157 Glycyrrhizin CHEMBL441687 26143 DB13751 Glycyrrhizic acid BE0001162 CASP3 P42574 CASP3_HUMAN antagonist 24963489 "Li JY, Cao HY, Liu P, Cheng GH, Sun MY: Glycyrrhizic acid in the treatment of liver diseases: literature review. Biomed Res Int. 2014;2014:872139. doi: 10.1155/2014/872139. Epub 2014 May 13." Approved; Experimental Triterpene saponins Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides "Pentacyclic Triterpenes; Anti-Inflammatory Agents; Liver Therapy, Lipotropics; Triterpenes; Liver Therapy; Bile and Liver Therapy; Alimentary Tract and Metabolism; BSEP/ABCB11 Substrates; Terpenes" [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O 659 D00157 Glycyrrhizin CHEMBL441687 26143 DB13751 Glycyrrhizic acid BE0004903 NFKB2 P19838 NFKB1_HUMAN translocation inhibitor 24963489 "Li JY, Cao HY, Liu P, Cheng GH, Sun MY: Glycyrrhizic acid in the treatment of liver diseases: literature review. Biomed Res Int. 2014;2014:872139. doi: 10.1155/2014/872139. Epub 2014 May 13." Approved; Experimental Triterpene saponins Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides "Pentacyclic Triterpenes; Anti-Inflammatory Agents; Liver Therapy, Lipotropics; Triterpenes; Liver Therapy; Bile and Liver Therapy; Alimentary Tract and Metabolism; BSEP/ABCB11 Substrates; Terpenes" [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O 659 D00157 Glycyrrhizin CHEMBL441687 26143 DB13751 Glycyrrhizic acid BE0000239 LPL P06858 LIPL_HUMAN inducer 23678825 "Ming LJ, Yin AC: Therapeutic effects of glycyrrhizic acid. Nat Prod Commun. 2013 Mar;8(3):415-8." Approved; Experimental Triterpene saponins Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides "Pentacyclic Triterpenes; Anti-Inflammatory Agents; Liver Therapy, Lipotropics; Triterpenes; Liver Therapy; Bile and Liver Therapy; Alimentary Tract and Metabolism; BSEP/ABCB11 Substrates; Terpenes" [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O 659 D00157 Glycyrrhizin CHEMBL441687 26143 DB13760 Niperotidine BE0000112 HRH2 P25021 HRH2_HUMAN antagonist 1983712 "Palasciano G, Maggi V, Portincasa P: The effect of the H2-antagonist niperotidine on intragastric acidity in healthy subjects undergoing 24-hour pH-monitoring. Ital J Gastroenterol. 1990 Oct;22(5):291-4." Experimental; Investigational Benzodioxoles Organic compounds; Organoheterocyclic compounds; Benzodioxoles Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Histamine H2 Antagonists; Gastric Acid Lowering Agents; Histamine Antagonists; Drugs for Acid Related Disorders; Alimentary Tract and Metabolism CN(C)CC1=CC=C(CSCCNC(NCC2=CC=C3OCOC3=C2)=C[N+]([O-])=O)O1 Niperotidine DB13800 Calcium levulinate BE0008699 CASQ1 P31415 CASQ1_HUMAN agonist 22453954 "Yanez M, Gil-Longo J, Campos-Toimil M: Calcium binding proteins. Adv Exp Med Biol. 2012;740:461-82. doi: 10.1007/978-94-007-2888-2_19." Approved; Experimental Gamma-keto acids and derivatives Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives Calcium Salts; Enzyme Inhibitors; Mineral Supplements; Keto Acids; Alimentary Tract and Metabolism [Ca++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O 47624 DB13800 Calcium levulinate BE0008708 CALB2 P22676 CALB2_HUMAN agonist 22453954 "Yanez M, Gil-Longo J, Campos-Toimil M: Calcium binding proteins. Adv Exp Med Biol. 2012;740:461-82. doi: 10.1007/978-94-007-2888-2_19." Approved; Experimental Gamma-keto acids and derivatives Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives Calcium Salts; Enzyme Inhibitors; Mineral Supplements; Keto Acids; Alimentary Tract and Metabolism [Ca++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O 47624 DB13837 Doxefazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Experimental "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Benzazepines; Heterocyclic Compounds, Fused-Ring; Hypnotics and Sedatives; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Nervous System; Psycholeptics" OCCN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1F D07327 Doxefazepam CHEMBL64677 DB13857 Demegestone BE0000557 PGR P06401 PRGR_HUMAN agonist Experimental 20-oxosteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids "Norsteroids; Progesterone Congeners; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptives, Oral; Pregnadien Derivatives; Contraceptive Agents, Female" [H][C@@]12CC[C@](C)(C(C)=O)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H] D07223 Demegestone CHEMBL2104231 22483 DB13867 Fluticasone BE0000794 NR3C1 P04150 GCR_HUMAN agonist Approved; Experimental Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "OATP1B1/SLCO1B1 Inhibitors; Anti-Allergic Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Dermatologicals; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Androstadienes; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Androstanes; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Peripheral Nervous System Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Cytochrome P-450 CYP2C8 Inhibitors (strong)" [H][C@@]12C[C@@H](C)[C@](O)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C D07981 Fluticasone CHEMBL1201396 41126 DB13867 Fluticasone BE0000557 PGR P06401 PRGR_HUMAN agonist 16507850; 12503693 "Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6.@@Austin RJ, Maschera B, Walker A, Fairbairn L, Meldrum E, Farrow SN, Uings IJ: Mometasone furoate is a less specific glucocorticoid than fluticasone propionate. Eur Respir J. 2002 Dec;20(6):1386-92." Approved; Experimental Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "OATP1B1/SLCO1B1 Inhibitors; Anti-Allergic Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Dermatologicals; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Androstadienes; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Androstanes; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Peripheral Nervous System Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Cytochrome P-450 CYP2C8 Inhibitors (strong)" [H][C@@]12C[C@@H](C)[C@](O)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C D07981 Fluticasone CHEMBL1201396 41126 DB13867 Fluticasone BE0000657 PLA2G4A P47712 PA24A_HUMAN inhibitor 10351938; 15083746 "Sano A, Munoz NM, Sano H, Choi J, Zhu X, Jacobs B, Leff AR: Inhibition of cPLA2 translocation and leukotriene C4 secretion by fluticasone propionate in exogenously activated human eosinophils. Am J Respir Crit Care Med. 1999 Jun;159(6):1903-9.@@Myo S, Zhu X, Myou S, Meliton AY, Liu J, Boetticher E, Lambertino AT, Xu C, Munoz NM, Leff AR: Additive blockade of beta 2-integrin adhesion of eosinophils by salmeterol and fluticasone propionate. Eur Respir J. 2004 Apr;23(4):511-7." Approved; Experimental Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "OATP1B1/SLCO1B1 Inhibitors; Anti-Allergic Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Dermatologicals; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Androstadienes; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Androstanes; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Peripheral Nervous System Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Cytochrome P-450 CYP2C8 Inhibitors (strong)" [H][C@@]12C[C@@H](C)[C@](O)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C D07981 Fluticasone CHEMBL1201396 41126 DB13867 Fluticasone BE0000668 NR3C2 P08235 MCR_HUMAN antagonist 12503693; 16507850 "Austin RJ, Maschera B, Walker A, Fairbairn L, Meldrum E, Farrow SN, Uings IJ: Mometasone furoate is a less specific glucocorticoid than fluticasone propionate. Eur Respir J. 2002 Dec;20(6):1386-92.@@Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6." Approved; Experimental Androgens and derivatives Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids "OATP1B1/SLCO1B1 Inhibitors; Anti-Allergic Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Dermatologicals; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Androstadienes; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Androstanes; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Peripheral Nervous System Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Cytochrome P-450 CYP2C8 Inhibitors (strong)" [H][C@@]12C[C@@H](C)[C@](O)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C D07981 Fluticasone CHEMBL1201396 41126 DB13869 2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenol BE0000792 ESR2 Q92731 ESR2_HUMAN 26970359 "Ronghe A, Chatterjee A, Singh B, Dandawate P, Abdalla F, Bhat NK, Padhye S, Bhat HK: 4-(E)-{(p-tolylimino)-methylbenzene-1,2-diol}, 1 a novel resveratrol analog, differentially regulates estrogen receptors alpha and beta in breast cancer cells. Toxicol Appl Pharmacol. 2016 Jun 15;301:1-13. doi: 10.1016/j.taap.2016.03.003. Epub 2016 Mar 9." Experimental Benzylidene Compounds; Benzene Derivatives COC1=C(O)C(\C=N\C2=CC=C(C)C=C2)=CC=C1 347829322 DB13869 2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenol BE0000123 ESR1 P03372 ESR1_HUMAN 26970359 "Ronghe A, Chatterjee A, Singh B, Dandawate P, Abdalla F, Bhat NK, Padhye S, Bhat HK: 4-(E)-{(p-tolylimino)-methylbenzene-1,2-diol}, 1 a novel resveratrol analog, differentially regulates estrogen receptors alpha and beta in breast cancer cells. Toxicol Appl Pharmacol. 2016 Jun 15;301:1-13. doi: 10.1016/j.taap.2016.03.003. Epub 2016 Mar 9." Experimental Benzylidene Compounds; Benzene Derivatives COC1=C(O)C(\C=N\C2=CC=C(C)C=C2)=CC=C1 347829322 DB13872 Lormetazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Approved "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Benzazepines; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Hypnotics and Sedatives; Nervous System; Psycholeptics" CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1Cl 347829324 Lormetazepam CHEMBL22097 28894 DB13873 Fenofibric acid BE0000071 PPARA Q07869 PPARA_HUMAN agonist Approved Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones "Ethers; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Benzophenones; Fibric Acids; Phenols; Peroxisome Proliferator Receptor alpha Agonist; Drugs that are Mainly Renally Excreted; Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Ketones; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Acids, Acyclic; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia" CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(O)=O 347829325 Fenofibrate CHEMBL981 24852 DB13873 Fenofibric acid BE0009742 MMP25 Q9NPA2 MMP25_HUMAN unknown 17353509; 17606858 "Duhaney TA, Cui L, Rude MK, Lebrasseur NK, Ngoy S, De Silva DS, Siwik DA, Liao R, Sam F: Peroxisome proliferator-activated receptor alpha-independent actions of fenofibrate exacerbates left ventricular dilation and fibrosis in chronic pressure overload. Hypertension. 2007 May;49(5):1084-94. Epub 2007 Mar 12.@@Lebrasseur NK, Duhaney TA, De Silva DS, Cui L, Ip PC, Joseph L, Sam F: Effects of fenofibrate on cardiac remodeling in aldosterone-induced hypertension. Hypertension. 2007 Sep;50(3):489-96. Epub 2007 Jul 2." Approved Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones "Ethers; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Benzophenones; Fibric Acids; Phenols; Peroxisome Proliferator Receptor alpha Agonist; Drugs that are Mainly Renally Excreted; Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Ketones; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Acids, Acyclic; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia" CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(O)=O 347829325 Fenofibrate CHEMBL981 24852 DB13873 Fenofibric acid BE0000215 PPARG P37231 PPARG_HUMAN 11779144 "Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9." Approved Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones "Ethers; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Benzophenones; Fibric Acids; Phenols; Peroxisome Proliferator Receptor alpha Agonist; Drugs that are Mainly Renally Excreted; Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Ketones; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Acids, Acyclic; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia" CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(O)=O 347829325 Fenofibrate CHEMBL981 24852 DB13873 Fenofibric acid BE0001007 PPARD Q03181 PPARD_HUMAN unknown 11779144 "Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9." Approved Benzophenones Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones "Ethers; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Benzophenones; Fibric Acids; Phenols; Peroxisome Proliferator Receptor alpha Agonist; Drugs that are Mainly Renally Excreted; Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Ketones; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Acids, Acyclic; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia" CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(O)=O 347829325 Fenofibrate CHEMBL981 24852 DB13877 Iniparib BE0001717 PARP1 P09874 PARP1_HUMAN Investigational 4-halobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Poly(ADP-ribose) Polymerase Inhibitors; Amides; Benzene Derivatives; Antineoplastic Agents" NC(=O)C1=CC(=C(I)C=C1)[N+]([O-])=O D09913 Iniparib CHEMBL1170047 DB13884 Albutrepenonacog alfa BE0000216 F10 P00742 FA10_HUMAN activator 27988873 "Lyseng-Williamson KA: Coagulation Factor IX (Recombinant), Albumin Fusion Protein (Albutrepenonacog Alfa; Idelvion((R))): A Review of Its Use in Haemophilia B. Drugs. 2017 Jan;77(1):97-106. doi: 10.1007/s40265-016-0679-8." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Albumins; Recombinant Proteins; Biological Factors; Enzyme Precursors; Enzymes and Coenzymes; Hemostatics; Proteins; Blood Coagulation Factors; Drugs that are Mainly Renally Excreted; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 22684 347911453 Factor_IX 1743992 DB13908 Amylmetacresol BE0002081 SCN2A Q99250 SCN2A_HUMAN antagonist 19367399 "Buchholz V, Leuwer M, Ahrens J, Foadi N, Krampfl K, Haeseler G: Topical antiseptics for the treatment of sore throat block voltage-gated neuronal sodium channels in a local anaesthetic-like manner. Naunyn Schmiedebergs Arch Pharmacol. 2009 Aug;380(2):161-8. doi: 10.1007/s00210-009-0416-x. Epub 2009 Apr 15." Approved Meta cresols Organic compounds; Benzenoids; Phenols; Cresols "Anti-Infective Agents, Local; Phenols; Benzene Derivatives; Miscellaneous Anti-infectives" CCCCCC1=CC=C(C)C=C1O 7095 Amylmetacresol CHEMBL1512677 236248 DB13914 Volixibat BE0003643 SLC10A2 Q12908 NTCP2_HUMAN inhibitor 29304731 "Tiessen RG, Kennedy CA, Keller BT, Levin N, Acevedo L, Gedulin B, van Vliet AA, Dorenbaum A, Palmer M: Safety, tolerability and pharmacodynamics of apical sodium-dependent bile acid transporter inhibition with volixibat in healthy adults and patients with type 2 diabetes mellitus: a randomised placebo-controlled trial. BMC Gastroenterol. 2018 Jan 5;18(1):3. doi: 10.1186/s12876-017-0736-0." Experimental; Investigational Hexoses Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates "Heterocyclic Compounds, Fused-Ring; Carbohydrates; Sulfur Compounds; Lipid Regulating Agents" [H][C@@]1([C@@H](O)[C@](CC)(CCCC)CS(=O)(=O)C2=CC=C(C=C12)N(C)C)C1=CC=CC(NC(=O)N[C@@H]2O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](OCC3=CC=CC=C3)[C@H]2O)=C1 347829333 Volixibat CHEMBL3707222 DB13923 Emicizumab BE0000216 F10 P00742 FA10_HUMAN activator 26626991; 27223146; 6424437; 27207420 "Uchida N, Sambe T, Yoneyama K, Fukazawa N, Kawanishi T, Kobayashi S, Shima M: A first-in-human phase 1 study of ACE910, a novel factor VIII-mimetic bispecific antibody, in healthy subjects. Blood. 2016 Mar 31;127(13):1633-41. doi: 10.1182/blood-2015-06-650226. Epub 2015 Dec 1.@@Shima M, Hanabusa H, Taki M, Matsushita T, Sato T, Fukutake K, Fukazawa N, Yoneyama K, Yoshida H, Nogami K: Factor VIII-Mimetic Function of Humanized Bispecific Antibody in Hemophilia A. N Engl J Med. 2016 May 26;374(21):2044-53. doi: 10.1056/NEJMoa1511769.@@Chavin SI: Factor VIII: structure and function in blood clotting. Am J Hematol. 1984 Apr;16(3):297-306.@@Nogami K: Bispecific antibody mimicking factor VIII. Thromb Res. 2016 May;141 Suppl 2:S34-5. doi: 10.1016/S0049-3848(16)30361-9." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Blood and Blood Forming Organs; Hemostatics; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Blood Coagulation Factors; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Antihemorrhagic Agents, Miscellaneous" 22970 Emicizumab 1989795 DB13926 Cenegermin BE0001039 NTRK1 P04629 NTRK1_HUMAN stimulator Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Biological Factors; Intercellular Signaling Peptides and Proteins; Ophthalmologicals; Recombinant Human Nerve Growth Factor; Nerve Tissue Proteins; Peptides; Proteins; Amino Acids, Peptides, and Proteins; Sensory Organs; Nerve Growth Factors" 23098 Cenegermin 2104332 DB13928 Semaglutide BE0000857 GLP1R P43220 GLP1R_HUMAN agonist 24140094; 21314233; 27981757 "Lee YS, Jun HS: Anti-diabetic actions of glucagon-like peptide-1 on pancreatic beta-cells. Metabolism. 2014 Jan;63(1):9-19. doi: 10.1016/j.metabol.2013.09.010. Epub 2013 Oct 17.@@Durante C, Russo D, Verrienti A, Filetti S: XL184 (cabozantinib) for medullary thyroid carcinoma. Expert Opin Investig Drugs. 2011 Mar;20(3):407-413. doi: 10.1517/13543784.2011.559163.@@Htike ZZ, Zaccardi F, Papamargaritis D, Webb DR, Khunti K, Davies MJ: Efficacy and safety of glucagon-like peptide-1 receptor agonists in type 2 diabetes: A systematic review and mixed-treatment comparison analysis. Diabetes Obes Metab. 2017 Apr;19(4):524-536. doi: 10.1111/dom.12849. Epub 2017 Feb 17." Approved; Investigational Polypeptides Organic compounds; Organic Polymers; Polypeptides "Drugs Used in Diabetes; GLP-1 Agonists; Gastrointestinal Hormones; Peptide Hormones; Incretin Mimetics; Peptides; Pancreatic Hormones; Proteins; Hormones, Hormone Substitutes, and Hormone Antagonists; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Glucagon-like peptide-1 (GLP-1) analogues" CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)CC1=CN=CN1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O 22925 PA166305021 Semaglutide CHEMBL3616752 1991302 DB13929 Relcovaptan BE0000165 AVPR1A P37288 V1AR_HUMAN antagonist 10519430; 21130036 "Akerlund M, Bossmar T, Brouard R, Kostrzewska A, Laudanski T, Lemancewicz A, Serradeil-Le Gal C, Steinwall M: Receptor binding of oxytocin and vasopressin antagonists and inhibitory effects on isolated myometrium from preterm and term pregnant women. Br J Obstet Gynaecol. 1999 Oct;106(10):1047-53.@@Pierzynski P: Oxytocin and vasopressin V(1A) receptors as new therapeutic targets in assisted reproduction. Reprod Biomed Online. 2011 Jan;22(1):9-16. doi: 10.1016/j.rbmo.2010.09.015. Epub 2010 Oct 14." Investigational "Heterocyclic Compounds, Fused-Ring; Hematologic Agents; Hormone Antagonists; Antiplatelet agents; Hormones, Hormone Substitutes, and Hormone Antagonists" COC1=CC=C(C=C1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1Cl Relcovaptan CHEMBL419667 DB13930 Ulixertinib BE0000923 MAPK1 P28482 MK01_HUMAN inhibitor 28939558 "Germann UA, Furey BF, Markland W, Hoover RR, Aronov AM, Roix JJ, Hale M, Boucher DM, Sorrell DA, Martinez-Botella G, Fitzgibbon M, Shapiro P, Wick MJ, Samadani R, Meshaw K, Groover A, DeCrescenzo G, Namchuk M, Emery CM, Saha S, Welsch DJ: Targeting the MAPK Signaling Pathway in Cancer: Promising Preclinical Activity with the Novel Selective ERK1/2 Inhibitor BVD-523 (Ulixertinib). Mol Cancer Ther. 2017 Nov;16(11):2351-2363. doi: 10.1158/1535-7163.MCT-17-0456. Epub 2017 Sep 22." Investigational Amines; Pyridines [H]N([C@H](CO)C1=CC(Cl)=CC=C1)C(=O)C1=CC(=CN1[H])C1=CC(=NC=C1Cl)N([H])C(C)C CHEMBL3590106 DB13931 Netarsudil BE0001016 ROCK1 Q13464 ROCK1_HUMAN inhibitor Approved Beta amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Ophthalmologicals; Alanine; Acids, Carbocyclic; Rho Kinase Inhibitors; Antiglaucoma Preparations and Miotics; Rho Kinase Inhibitor; Benzene Derivatives; Amino Acids, Peptides, and Proteins; Prostaglandins, Synthetic; Sensory Organs" CC1=CC(C)=C(C=C1)C(=O)OCC1=CC=C(C=C1)[C@@H](CN)C(=O)NC1=CC=C2C=NC=CC2=C1 Netarsudil 1992864 DB13931 Netarsudil BE0004191 ROCK2 O75116 ROCK2_HUMAN inhibitor Approved Beta amino acids and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Amino Acids; Ophthalmologicals; Alanine; Acids, Carbocyclic; Rho Kinase Inhibitors; Antiglaucoma Preparations and Miotics; Rho Kinase Inhibitor; Benzene Derivatives; Amino Acids, Peptides, and Proteins; Prostaglandins, Synthetic; Sensory Organs" CC1=CC(C)=C(C=C1)C(=O)OCC1=CC=C(C=C1)[C@@H](CN)C(=O)NC1=CC=C2C=NC=CC2=C1 Netarsudil 1992864 DB13933 Nonacog beta pegol BE0000333 F7 P08709 FA7_HUMAN cofactor Approved; Investigational "Biological Factors; Enzyme Precursors; Enzymes and Coenzymes; Hemostatics; Polymers; Proteins; Blood Coagulation Factors; Macromolecular Substances; Protein Precursors; Blood Proteins; Pegylated agents; Amino Acids, Peptides, and Proteins; Compounds used in a research, industrial, or household setting" 22916 Factor_IX 1990855 DB13933 Nonacog beta pegol BE0000016 F8 P00451 FA8_HUMAN cofactor Approved; Investigational "Biological Factors; Enzyme Precursors; Enzymes and Coenzymes; Hemostatics; Polymers; Proteins; Blood Coagulation Factors; Macromolecular Substances; Protein Precursors; Blood Proteins; Pegylated agents; Amino Acids, Peptides, and Proteins; Compounds used in a research, industrial, or household setting" 22916 Factor_IX 1990855 DB13933 Nonacog beta pegol BE0000216 F10 P00742 FA10_HUMAN agonist Approved; Investigational "Biological Factors; Enzyme Precursors; Enzymes and Coenzymes; Hemostatics; Polymers; Proteins; Blood Coagulation Factors; Macromolecular Substances; Protein Precursors; Blood Proteins; Pegylated agents; Amino Acids, Peptides, and Proteins; Compounds used in a research, industrial, or household setting" 22916 Factor_IX 1990855 DB13934 Ligandrol BE0000132 AR P10275 ANDR_HUMAN antagonist 22459616 "Basaria S, Collins L, Dillon EL, Orwoll K, Storer TW, Miciek R, Ulloor J, Zhang A, Eder R, Zientek H, Gordon G, Kazmi S, Sheffield-Moore M, Bhasin S: The safety, pharmacokinetics, and effects of LGD-4033, a novel nonsteroidal oral, selective androgen receptor modulator, in healthy young men. J Gerontol A Biol Sci Med Sci. 2013 Jan;68(1):87-95. doi: 10.1093/gerona/gls078. Epub 2012 Mar 28." Investigational O[C@H]([C@H]1CCCN1C1=CC=C(C#N)C(=C1)C(F)(F)F)C(F)(F)F LGD-4033 DB13940 "2,5-Dimethoxy-4-ethylthioamphetamine" BE0000533 HTR2C P28335 5HT2C_HUMAN agonist 11191631 "Acuna-Castillo C, Scorza C, Reyes-Parada M, Cassels BK, Huidobro-Toro JP: ALEPH-2, a suspected anxiolytic and putative hallucinogenic phenylisopropylamine derivative, is a 5-HT2a and 5-HT2c receptor agonist. Life Sci. 2000 Nov 17;67(26):3241-7." Experimental Amphetamines and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines Amphetamines; Serotonin Agents; Amines; Central Nervous System Depressants; Phenethylamines; Serotonin Receptor Agonists; Sympathomimetics; Agents that produce hypertension; Agents producing tachycardia; Ethylamines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Serotonin 5-HT2 Receptor Agonists CCSC1=CC(OC)=C(CC(C)N)C=C1OC CHEMBL339611 DB13943 Testosterone cypionate BE0000132 AR P10275 ANDR_HUMAN agonist 17084172; 17086931; 17128417; 17202804; 17322500; 11752352 "Small EJ, Ryan CJ: The case for secondary hormonal therapies in the chemotherapy age. J Urol. 2006 Dec;176(6 Pt 2):S66-71.@@Omwancha J, Brown TR: Selective androgen receptor modulators: in pursuit of tissue-selective androgens. Curr Opin Investig Drugs. 2006 Oct;7(10):873-81.@@Petraki CD, Sfikas CP: Histopathological changes induced by therapies in the benign prostate and prostate adenocarcinoma. Histol Histopathol. 2007 Jan;22(1):107-18.@@Maudsley S, Davidson L, Pawson AJ, Freestone SH, Lopez de Maturana R, Thomson AA, Millar RP: Gonadotropin-releasing hormone functionally antagonizes testosterone activation of the human androgen receptor in prostate cells through focal adhesion complexes involving Hic-5. Neuroendocrinology. 2006;84(5):285-300. Epub 2007 Jan 4.@@Lapauw B, Goemaere S, Crabbe P, Kaufman JM, Ruige JB: Is the effect of testosterone on body composition modulated by the androgen receptor gene CAG repeat polymorphism in elderly men? Eur J Endocrinol. 2007 Mar;156(3):395-401.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A7 Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Gonadal Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Delayed-Action Preparations; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Testosterone and derivatives; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; OAT3/SLC22A8 Inducers; Anabolic Agents; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCC3CCCC3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7487 D00957 Testosterone_cypionate CHEMBL1201101 DB13943 Testosterone cypionate BE0000123 ESR1 P03372 ESR1_HUMAN 12676605 "Kojima H, Iida M, Katsura E, Kanetoshi A, Hori Y, Kobayashi K: Effects of a diphenyl ether-type herbicide, chlornitrofen, and its amino derivative on androgen and estrogen receptor activities. Environ Health Perspect. 2003 Apr;111(4):497-502." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A7 Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Gonadal Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Delayed-Action Preparations; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Testosterone and derivatives; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; OAT3/SLC22A8 Inducers; Anabolic Agents; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCC3CCCC3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7487 D00957 Testosterone_cypionate CHEMBL1201101 DB13943 Testosterone cypionate BE0000668 NR3C2 P08235 MCR_HUMAN 17105867 "Takeda AN, Pinon GM, Bens M, Fagart J, Rafestin-Oblin ME, Vandewalle A: The synthetic androgen methyltrienolone (r1881) acts as a potent antagonist of the mineralocorticoid receptor. Mol Pharmacol. 2007 Feb;71(2):473-82. Epub 2006 Nov 14." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A7 Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Gonadal Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Delayed-Action Preparations; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Testosterone and derivatives; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; OAT3/SLC22A8 Inducers; Anabolic Agents; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCC3CCCC3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7487 D00957 Testosterone_cypionate CHEMBL1201101 DB13944 Testosterone enanthate BE0000132 AR P10275 ANDR_HUMAN agonist 17084172; 17086931; 17128417; 17202804; 17322500; 11752352 "Small EJ, Ryan CJ: The case for secondary hormonal therapies in the chemotherapy age. J Urol. 2006 Dec;176(6 Pt 2):S66-71.@@Omwancha J, Brown TR: Selective androgen receptor modulators: in pursuit of tissue-selective androgens. Curr Opin Investig Drugs. 2006 Oct;7(10):873-81.@@Petraki CD, Sfikas CP: Histopathological changes induced by therapies in the benign prostate and prostate adenocarcinoma. Histol Histopathol. 2007 Jan;22(1):107-18.@@Maudsley S, Davidson L, Pawson AJ, Freestone SH, Lopez de Maturana R, Thomson AA, Millar RP: Gonadotropin-releasing hormone functionally antagonizes testosterone activation of the human androgen receptor in prostate cells through focal adhesion complexes involving Hic-5. Neuroendocrinology. 2006;84(5):285-300. Epub 2007 Jan 4.@@Lapauw B, Goemaere S, Crabbe P, Kaufman JM, Ruige JB: Is the effect of testosterone on body composition modulated by the androgen receptor gene CAG repeat polymorphism in elderly men? Eur J Endocrinol. 2007 Mar;156(3):395-401.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Contraceptive Agents, Male; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Testosterone and derivatives; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; OAT3/SLC22A8 Inducers; Cytochrome P-450 CYP3A7 Substrates; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7486 Testosterone_enanthate CHEMBL1200335 DB13944 Testosterone enanthate BE0000123 ESR1 P03372 ESR1_HUMAN 12676605 "Kojima H, Iida M, Katsura E, Kanetoshi A, Hori Y, Kobayashi K: Effects of a diphenyl ether-type herbicide, chlornitrofen, and its amino derivative on androgen and estrogen receptor activities. Environ Health Perspect. 2003 Apr;111(4):497-502." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Contraceptive Agents, Male; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Testosterone and derivatives; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; OAT3/SLC22A8 Inducers; Cytochrome P-450 CYP3A7 Substrates; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7486 Testosterone_enanthate CHEMBL1200335 DB13944 Testosterone enanthate BE0000668 NR3C2 P08235 MCR_HUMAN 17105867 "Takeda AN, Pinon GM, Bens M, Fagart J, Rafestin-Oblin ME, Vandewalle A: The synthetic androgen methyltrienolone (r1881) acts as a potent antagonist of the mineralocorticoid receptor. Mol Pharmacol. 2007 Feb;71(2):473-82. Epub 2006 Nov 14." Approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Contraceptive Agents, Male; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Testosterone and derivatives; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; OAT3/SLC22A8 Inducers; Cytochrome P-450 CYP3A7 Substrates; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7486 Testosterone_enanthate CHEMBL1200335 DB13946 Testosterone undecanoate BE0000132 AR P10275 ANDR_HUMAN agonist 17086931; 17128417; 17322500; 11752352; 27057074 "Omwancha J, Brown TR: Selective androgen receptor modulators: in pursuit of tissue-selective androgens. Curr Opin Investig Drugs. 2006 Oct;7(10):873-81.@@Petraki CD, Sfikas CP: Histopathological changes induced by therapies in the benign prostate and prostate adenocarcinoma. Histol Histopathol. 2007 Jan;22(1):107-18.@@Lapauw B, Goemaere S, Crabbe P, Kaufman JM, Ruige JB: Is the effect of testosterone on body composition modulated by the androgen receptor gene CAG repeat polymorphism in elderly men? Eur J Endocrinol. 2007 Mar;156(3):395-401.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Davey RA, Grossmann M: Androgen Receptor Structure, Function and Biology: From Bench to Bedside. Clin Biochem Rev. 2016 Feb;37(1):3-15." Approved; Investigational Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Gonadal Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Testosterone and derivatives; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP3A Inducers; OAT3/SLC22A8 Inducers; Cytochrome P-450 CYP3A7 Substrates; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists" CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 7469 Testosterone_undecanoate CHEMBL2107067 DB13949 Ferric cation BE0008725 TFRC P02786 TFR1_HUMAN agonist 16564538; 24310424; 25053935 "Hemadi M, Ha-Duong NT, El Hage Chahine JM: The mechanism of iron release from the transferrin-receptor 1 adduct. J Mol Biol. 2006 May 12;358(4):1125-36. Epub 2006 Mar 13.@@Geisser P, Burckhardt S: The pharmacokinetics and pharmacodynamics of iron preparations. Pharmaceutics. 2011 Jan 4;3(1):12-33. doi: 10.3390/pharmaceutics3010012.@@Waldvogel-Abramowski S, Waeber G, Gassner C, Buser A, Frey BM, Favrat B, Tissot JD: Physiology of iron metabolism. Transfus Med Hemother. 2014 Jun;41(3):213-21. doi: 10.1159/000362888. Epub 2014 May 12." Approved "Phosphate Chelating Activity; Polyvalent cation containing laxatives, antacids, oral supplements; Parenteral Iron Replacement; Iron Compounds; Phosphate Binder" [Fe+3] 1546357 DB13951 Stanolone acetate BE0000132 AR P10275 ANDR_HUMAN 17591767; 10592235 "Askew EB, Gampe RT Jr, Stanley TB, Faggart JL, Wilson EM: Modulation of androgen receptor activation function 2 by testosterone and dihydrotestosterone. J Biol Chem. 2007 Aug 31;282(35):25801-16. Epub 2007 Jun 25.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42." Experimental Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters P-glycoprotein substrates; Testosterone and derivatives [H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C Dihydrotestosterone_acetate CHEMBL3275971 DB13951 Stanolone acetate BE0000123 ESR1 P03372 ESR1_HUMAN 12676605 "Kojima H, Iida M, Katsura E, Kanetoshi A, Hori Y, Kobayashi K: Effects of a diphenyl ether-type herbicide, chlornitrofen, and its amino derivative on androgen and estrogen receptor activities. Environ Health Perspect. 2003 Apr;111(4):497-502." Experimental Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters P-glycoprotein substrates; Testosterone and derivatives [H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C Dihydrotestosterone_acetate CHEMBL3275971 DB13951 Stanolone acetate BE0000668 NR3C2 P08235 MCR_HUMAN 17105867 "Takeda AN, Pinon GM, Bens M, Fagart J, Rafestin-Oblin ME, Vandewalle A: The synthetic androgen methyltrienolone (r1881) acts as a potent antagonist of the mineralocorticoid receptor. Mol Pharmacol. 2007 Feb;71(2):473-82. Epub 2006 Nov 14." Experimental Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters P-glycoprotein substrates; Testosterone and derivatives [H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C Dihydrotestosterone_acetate CHEMBL3275971 DB13952 Estradiol acetate BE0000123 ESR1 P03372 ESR1_HUMAN agonist 17125913; 17138652; 2011412; 11752352 "Brama M, Gnessi L, Basciani S, Cerulli N, Politi L, Spera G, Mariani S, Cherubini S, Scotto d'Abusco A, Scandurra R, Migliaccio S: Cadmium induces mitogenic signaling in breast cancer cell by an ERalpha-dependent mechanism. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):102-8. Epub 2006 Nov 27.@@Lehnes K, Winder AD, Alfonso C, Kasid N, Simoneaux M, Summe H, Morgan E, Iann MC, Duncan J, Eagan M, Tavaluc R, Evans CH Jr, Russell R, Wang A, Hu F, Stoica A: The effect of estradiol on in vivo tumorigenesis is modulated by the human epidermal growth factor receptor 2/phosphatidylinositol 3-kinase/Akt1 pathway. Endocrinology. 2007 Mar;148(3):1171-80. Epub 2006 Nov 30.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H] D04061 Estradiol_acetate CHEMBL1200430 DB13952 Estradiol acetate BE0000792 ESR2 Q92731 ESR2_HUMAN agonist 17464340; 2011412 "Vijayanathan V, Greenfield NJ, Thomas TJ, Ivanova MM, Tyulmenkov VV, Klinge CM, Gallo MA, Thomas T: Effects of estradiol and 4-hydroxytamoxifen on the conformation, thermal stability, and DNA recognition of estrogen receptor beta. Biochem Cell Biol. 2007 Feb;85(1):1-10.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H] D04061 Estradiol_acetate CHEMBL1200430 DB13952 Estradiol acetate BE0000849 CHRNA4 P43681 ACHA4_HUMAN 11517245 "Paradiso K, Zhang J, Steinbach JH: The C terminus of the human nicotinic alpha4beta2 receptor forms a binding site required for potentiation by an estrogenic steroid. J Neurosci. 2001 Sep 1;21(17):6561-8." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H] D04061 Estradiol_acetate CHEMBL1200430 DB13952 Estradiol acetate BE0003740 NCOA2 Q15596 NCOA2_HUMAN 15123288 "Geistlinger TR, McReynolds AC, Guy RK: Ligand-selective inhibition of the interaction of steroid receptor coactivators and estrogen receptor isoforms. Chem Biol. 2004 Feb;11(2):273-81." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H] D04061 Estradiol_acetate CHEMBL1200430 DB13952 Estradiol acetate BE0003446 GPER1 Q99527 GPER1_HUMAN 17088055 "Thomas P, Dong J: Binding and activation of the seven-transmembrane estrogen receptor GPR30 by environmental estrogens: a potential novel mechanism of endocrine disruption. J Steroid Biochem Mol Biol. 2006 Dec;102(1-5):175-9. Epub 2006 Nov 7." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H] D04061 Estradiol_acetate CHEMBL1200430 DB13952 Estradiol acetate BE0009015 BECN1 Q14457 BECN1_HUMAN 21034808 "Van Dorst B, Mehta J, Rouah-Martin E, De Coen W, Blust R, Robbens J: The identification of cellular targets of 17beta estradiol using a lytic (T7) cDNA phage display approach. Toxicol In Vitro. 2011 Feb;25(1):388-93. doi: 10.1016/j.tiv.2010.10.012. Epub 2010 Oct 27." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H] D04061 Estradiol_acetate CHEMBL1200430 DB13952 Estradiol acetate BE0002088 ESRRG P62508 ERR3_HUMAN ligand 22935422 "Babu S, Vellore NA, Kasibotla AV, Dwayne HJ, Stubblefield MA, Uppu RM: Molecular docking of bisphenol A and its nitrated and chlorinated metabolites onto human estrogen-related receptor-gamma. Biochem Biophys Res Commun. 2012 Sep 21;426(2):215-20. doi: 10.1016/j.bbrc.2012.08.065. Epub 2012 Aug 23." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H] D04061 Estradiol_acetate CHEMBL1200430 DB13953 Estradiol benzoate BE0000123 ESR1 P03372 ESR1_HUMAN agonist 17125913; 17138652; 2011412; 11752352 "Brama M, Gnessi L, Basciani S, Cerulli N, Politi L, Spera G, Mariani S, Cherubini S, Scotto d'Abusco A, Scandurra R, Migliaccio S: Cadmium induces mitogenic signaling in breast cancer cell by an ERalpha-dependent mechanism. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):102-8. Epub 2006 Nov 27.@@Lehnes K, Winder AD, Alfonso C, Kasid N, Simoneaux M, Summe H, Morgan E, Iann MC, Duncan J, Eagan M, Tavaluc R, Evans CH Jr, Russell R, Wang A, Hu F, Stoica A: The effect of estradiol on in vivo tumorigenesis is modulated by the human epidermal growth factor receptor 2/phosphatidylinositol 3-kinase/Akt1 pathway. Endocrinology. 2007 Mar;148(3):1171-80. Epub 2006 Nov 30.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Vet_approved Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C 7423 Estradiol_benzoate CHEMBL282575 DB13953 Estradiol benzoate BE0000792 ESR2 Q92731 ESR2_HUMAN agonist 17464340; 2011412 "Vijayanathan V, Greenfield NJ, Thomas TJ, Ivanova MM, Tyulmenkov VV, Klinge CM, Gallo MA, Thomas T: Effects of estradiol and 4-hydroxytamoxifen on the conformation, thermal stability, and DNA recognition of estrogen receptor beta. Biochem Cell Biol. 2007 Feb;85(1):1-10.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69." Approved; Investigational; Vet_approved Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C 7423 Estradiol_benzoate CHEMBL282575 DB13953 Estradiol benzoate BE0000849 CHRNA4 P43681 ACHA4_HUMAN 11517245 "Paradiso K, Zhang J, Steinbach JH: The C terminus of the human nicotinic alpha4beta2 receptor forms a binding site required for potentiation by an estrogenic steroid. J Neurosci. 2001 Sep 1;21(17):6561-8." Approved; Investigational; Vet_approved Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C 7423 Estradiol_benzoate CHEMBL282575 DB13953 Estradiol benzoate BE0003740 NCOA2 Q15596 NCOA2_HUMAN 15123288 "Geistlinger TR, McReynolds AC, Guy RK: Ligand-selective inhibition of the interaction of steroid receptor coactivators and estrogen receptor isoforms. Chem Biol. 2004 Feb;11(2):273-81." Approved; Investigational; Vet_approved Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C 7423 Estradiol_benzoate CHEMBL282575 DB13953 Estradiol benzoate BE0003446 GPER1 Q99527 GPER1_HUMAN 17088055 "Thomas P, Dong J: Binding and activation of the seven-transmembrane estrogen receptor GPR30 by environmental estrogens: a potential novel mechanism of endocrine disruption. J Steroid Biochem Mol Biol. 2006 Dec;102(1-5):175-9. Epub 2006 Nov 7." Approved; Investigational; Vet_approved Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C 7423 Estradiol_benzoate CHEMBL282575 DB13953 Estradiol benzoate BE0009015 BECN1 Q14457 BECN1_HUMAN 21034808 "Van Dorst B, Mehta J, Rouah-Martin E, De Coen W, Blust R, Robbens J: The identification of cellular targets of 17beta estradiol using a lytic (T7) cDNA phage display approach. Toxicol In Vitro. 2011 Feb;25(1):388-93. doi: 10.1016/j.tiv.2010.10.012. Epub 2010 Oct 27." Approved; Investigational; Vet_approved Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C 7423 Estradiol_benzoate CHEMBL282575 DB13953 Estradiol benzoate BE0002088 ESRRG P62508 ERR3_HUMAN ligand 22935422 "Babu S, Vellore NA, Kasibotla AV, Dwayne HJ, Stubblefield MA, Uppu RM: Molecular docking of bisphenol A and its nitrated and chlorinated metabolites onto human estrogen-related receptor-gamma. Biochem Biophys Res Commun. 2012 Sep 21;426(2):215-20. doi: 10.1016/j.bbrc.2012.08.065. Epub 2012 Aug 23." Approved; Investigational; Vet_approved Estrane steroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C 7423 Estradiol_benzoate CHEMBL282575 DB13954 Estradiol cypionate BE0000123 ESR1 P03372 ESR1_HUMAN agonist 17125913; 17138652; 2011412; 11752352 "Brama M, Gnessi L, Basciani S, Cerulli N, Politi L, Spera G, Mariani S, Cherubini S, Scotto d'Abusco A, Scandurra R, Migliaccio S: Cadmium induces mitogenic signaling in breast cancer cell by an ERalpha-dependent mechanism. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):102-8. Epub 2006 Nov 27.@@Lehnes K, Winder AD, Alfonso C, Kasid N, Simoneaux M, Summe H, Morgan E, Iann MC, Duncan J, Eagan M, Tavaluc R, Evans CH Jr, Russell R, Wang A, Hu F, Stoica A: The effect of estradiol on in vivo tumorigenesis is modulated by the human epidermal growth factor receptor 2/phosphatidylinositol 3-kinase/Akt1 pathway. Endocrinology. 2007 Mar;148(3):1171-80. Epub 2006 Nov 30.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1 D04063 Estradiol_cypionate CHEMBL1200973 DB13954 Estradiol cypionate BE0000792 ESR2 Q92731 ESR2_HUMAN agonist 17464340; 2011412 "Vijayanathan V, Greenfield NJ, Thomas TJ, Ivanova MM, Tyulmenkov VV, Klinge CM, Gallo MA, Thomas T: Effects of estradiol and 4-hydroxytamoxifen on the conformation, thermal stability, and DNA recognition of estrogen receptor beta. Biochem Cell Biol. 2007 Feb;85(1):1-10.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1 D04063 Estradiol_cypionate CHEMBL1200973 DB13954 Estradiol cypionate BE0000849 CHRNA4 P43681 ACHA4_HUMAN 11517245 "Paradiso K, Zhang J, Steinbach JH: The C terminus of the human nicotinic alpha4beta2 receptor forms a binding site required for potentiation by an estrogenic steroid. J Neurosci. 2001 Sep 1;21(17):6561-8." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1 D04063 Estradiol_cypionate CHEMBL1200973 DB13954 Estradiol cypionate BE0003740 NCOA2 Q15596 NCOA2_HUMAN 15123288 "Geistlinger TR, McReynolds AC, Guy RK: Ligand-selective inhibition of the interaction of steroid receptor coactivators and estrogen receptor isoforms. Chem Biol. 2004 Feb;11(2):273-81." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1 D04063 Estradiol_cypionate CHEMBL1200973 DB13954 Estradiol cypionate BE0003446 GPER1 Q99527 GPER1_HUMAN 17088055 "Thomas P, Dong J: Binding and activation of the seven-transmembrane estrogen receptor GPR30 by environmental estrogens: a potential novel mechanism of endocrine disruption. J Steroid Biochem Mol Biol. 2006 Dec;102(1-5):175-9. Epub 2006 Nov 7." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1 D04063 Estradiol_cypionate CHEMBL1200973 DB13954 Estradiol cypionate BE0009015 BECN1 Q14457 BECN1_HUMAN 21034808 "Van Dorst B, Mehta J, Rouah-Martin E, De Coen W, Blust R, Robbens J: The identification of cellular targets of 17beta estradiol using a lytic (T7) cDNA phage display approach. Toxicol In Vitro. 2011 Feb;25(1):388-93. doi: 10.1016/j.tiv.2010.10.012. Epub 2010 Oct 27." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1 D04063 Estradiol_cypionate CHEMBL1200973 DB13954 Estradiol cypionate BE0002088 ESRRG P62508 ERR3_HUMAN ligand 22935422 "Babu S, Vellore NA, Kasibotla AV, Dwayne HJ, Stubblefield MA, Uppu RM: Molecular docking of bisphenol A and its nitrated and chlorinated metabolites onto human estrogen-related receptor-gamma. Biochem Biophys Res Commun. 2012 Sep 21;426(2):215-20. doi: 10.1016/j.bbrc.2012.08.065. Epub 2012 Aug 23." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1 D04063 Estradiol_cypionate CHEMBL1200973 DB13955 Estradiol dienanthate BE0000123 ESR1 P03372 ESR1_HUMAN agonist 17125913; 17138652; 2011412; 11752352 "Brama M, Gnessi L, Basciani S, Cerulli N, Politi L, Spera G, Mariani S, Cherubini S, Scotto d'Abusco A, Scandurra R, Migliaccio S: Cadmium induces mitogenic signaling in breast cancer cell by an ERalpha-dependent mechanism. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):102-8. Epub 2006 Nov 27.@@Lehnes K, Winder AD, Alfonso C, Kasid N, Simoneaux M, Summe H, Morgan E, Iann MC, Duncan J, Eagan M, Tavaluc R, Evans CH Jr, Russell R, Wang A, Hu F, Stoica A: The effect of estradiol on in vivo tumorigenesis is modulated by the human epidermal growth factor receptor 2/phosphatidylinositol 3-kinase/Akt1 pathway. Endocrinology. 2007 Mar;148(3):1171-80. Epub 2006 Nov 30.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C 7411 Estradiol_dienantate DB13955 Estradiol dienanthate BE0000792 ESR2 Q92731 ESR2_HUMAN agonist 17464340; 2011412 "Vijayanathan V, Greenfield NJ, Thomas TJ, Ivanova MM, Tyulmenkov VV, Klinge CM, Gallo MA, Thomas T: Effects of estradiol and 4-hydroxytamoxifen on the conformation, thermal stability, and DNA recognition of estrogen receptor beta. Biochem Cell Biol. 2007 Feb;85(1):1-10.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C 7411 Estradiol_dienantate DB13955 Estradiol dienanthate BE0000849 CHRNA4 P43681 ACHA4_HUMAN 11517245 "Paradiso K, Zhang J, Steinbach JH: The C terminus of the human nicotinic alpha4beta2 receptor forms a binding site required for potentiation by an estrogenic steroid. J Neurosci. 2001 Sep 1;21(17):6561-8." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C 7411 Estradiol_dienantate DB13955 Estradiol dienanthate BE0003740 NCOA2 Q15596 NCOA2_HUMAN 15123288 "Geistlinger TR, McReynolds AC, Guy RK: Ligand-selective inhibition of the interaction of steroid receptor coactivators and estrogen receptor isoforms. Chem Biol. 2004 Feb;11(2):273-81." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C 7411 Estradiol_dienantate DB13955 Estradiol dienanthate BE0003446 GPER1 Q99527 GPER1_HUMAN 17088055 "Thomas P, Dong J: Binding and activation of the seven-transmembrane estrogen receptor GPR30 by environmental estrogens: a potential novel mechanism of endocrine disruption. J Steroid Biochem Mol Biol. 2006 Dec;102(1-5):175-9. Epub 2006 Nov 7." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C 7411 Estradiol_dienantate DB13955 Estradiol dienanthate BE0009015 BECN1 Q14457 BECN1_HUMAN 21034808 "Van Dorst B, Mehta J, Rouah-Martin E, De Coen W, Blust R, Robbens J: The identification of cellular targets of 17beta estradiol using a lytic (T7) cDNA phage display approach. Toxicol In Vitro. 2011 Feb;25(1):388-93. doi: 10.1016/j.tiv.2010.10.012. Epub 2010 Oct 27." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C 7411 Estradiol_dienantate DB13955 Estradiol dienanthate BE0002088 ESRRG P62508 ERR3_HUMAN ligand 22935422 "Babu S, Vellore NA, Kasibotla AV, Dwayne HJ, Stubblefield MA, Uppu RM: Molecular docking of bisphenol A and its nitrated and chlorinated metabolites onto human estrogen-related receptor-gamma. Biochem Biophys Res Commun. 2012 Sep 21;426(2):215-20. doi: 10.1016/j.bbrc.2012.08.065. Epub 2012 Aug 23." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C 7411 Estradiol_dienantate DB13956 Estradiol valerate BE0000123 ESR1 P03372 ESR1_HUMAN agonist 17125913; 17138652; 2011412; 11752352 "Brama M, Gnessi L, Basciani S, Cerulli N, Politi L, Spera G, Mariani S, Cherubini S, Scotto d'Abusco A, Scandurra R, Migliaccio S: Cadmium induces mitogenic signaling in breast cancer cell by an ERalpha-dependent mechanism. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):102-8. Epub 2006 Nov 27.@@Lehnes K, Winder AD, Alfonso C, Kasid N, Simoneaux M, Summe H, Morgan E, Iann MC, Duncan J, Eagan M, Tavaluc R, Evans CH Jr, Russell R, Wang A, Hu F, Stoica A: The effect of estradiol on in vivo tumorigenesis is modulated by the human epidermal growth factor receptor 2/phosphatidylinositol 3-kinase/Akt1 pathway. Endocrinology. 2007 Mar;148(3):1171-80. Epub 2006 Nov 30.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 7420 Estradiol_valerate CHEMBL1511 DB13956 Estradiol valerate BE0000792 ESR2 Q92731 ESR2_HUMAN agonist 17464340; 2011412 "Vijayanathan V, Greenfield NJ, Thomas TJ, Ivanova MM, Tyulmenkov VV, Klinge CM, Gallo MA, Thomas T: Effects of estradiol and 4-hydroxytamoxifen on the conformation, thermal stability, and DNA recognition of estrogen receptor beta. Biochem Cell Biol. 2007 Feb;85(1):1-10.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 7420 Estradiol_valerate CHEMBL1511 DB13956 Estradiol valerate BE0000849 CHRNA4 P43681 ACHA4_HUMAN 11517245 "Paradiso K, Zhang J, Steinbach JH: The C terminus of the human nicotinic alpha4beta2 receptor forms a binding site required for potentiation by an estrogenic steroid. J Neurosci. 2001 Sep 1;21(17):6561-8." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 7420 Estradiol_valerate CHEMBL1511 DB13956 Estradiol valerate BE0003740 NCOA2 Q15596 NCOA2_HUMAN 15123288 "Geistlinger TR, McReynolds AC, Guy RK: Ligand-selective inhibition of the interaction of steroid receptor coactivators and estrogen receptor isoforms. Chem Biol. 2004 Feb;11(2):273-81." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 7420 Estradiol_valerate CHEMBL1511 DB13956 Estradiol valerate BE0003446 GPER1 Q99527 GPER1_HUMAN 17088055 "Thomas P, Dong J: Binding and activation of the seven-transmembrane estrogen receptor GPR30 by environmental estrogens: a potential novel mechanism of endocrine disruption. J Steroid Biochem Mol Biol. 2006 Dec;102(1-5):175-9. Epub 2006 Nov 7." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 7420 Estradiol_valerate CHEMBL1511 DB13956 Estradiol valerate BE0009015 BECN1 Q14457 BECN1_HUMAN 21034808 "Van Dorst B, Mehta J, Rouah-Martin E, De Coen W, Blust R, Robbens J: The identification of cellular targets of 17beta estradiol using a lytic (T7) cDNA phage display approach. Toxicol In Vitro. 2011 Feb;25(1):388-93. doi: 10.1016/j.tiv.2010.10.012. Epub 2010 Oct 27." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 7420 Estradiol_valerate CHEMBL1511 DB13956 Estradiol valerate BE0002088 ESRRG P62508 ERR3_HUMAN ligand 22935422 "Babu S, Vellore NA, Kasibotla AV, Dwayne HJ, Stubblefield MA, Uppu RM: Molecular docking of bisphenol A and its nitrated and chlorinated metabolites onto human estrogen-related receptor-gamma. Biochem Biophys Res Commun. 2012 Sep 21;426(2):215-20. doi: 10.1016/j.bbrc.2012.08.065. Epub 2012 Aug 23." Approved; Investigational; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 7420 Estradiol_valerate CHEMBL1511 DB13961 Fish oil BE0003399 FFAR4 Q5NUL3 FFAR4_HUMAN agonist 22393325 "Visioli F, Giordano E, Nicod NM, Davalos A: Molecular targets of omega 3 and conjugated linoleic Fatty acids - ""micromanaging"" cellular response. Front Physiol. 2012 Feb 29;3:42. doi: 10.3389/fphys.2012.00042. eCollection 2012." Approved; Nutraceutical Antiarrhythmic agents; Fish Oils; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Oils; Calcium Channel Blockers; Lipids; Cytochrome P-450 CYP3A Substrates; Vasodilating Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates 638 Fish_oil 4419 DB13961 Fish oil BE0009739 CACNA1C O00305 CACB4_HUMAN inhibitor 22393325; 9760040; 19419761; 22973228; 28220076 "Visioli F, Giordano E, Nicod NM, Davalos A: Molecular targets of omega 3 and conjugated linoleic Fatty acids - ""micromanaging"" cellular response. Front Physiol. 2012 Feb 29;3:42. doi: 10.3389/fphys.2012.00042. eCollection 2012.@@Hazama H, Nakajima T, Asano M, Iwasawa K, Morita T, Igarashi K, Nagata T, Horiuchi T, Suzuki J, Soma M, Okuda Y: Omega-3 polyunsaturated fatty acids--modulation of voltage-dependent L-type Ca2+ current in guinea-pig tracheal smooth muscle cells. Eur J Pharmacol. 1998 Aug 21;355(2-3):257-66. doi: 10.1016/s0014-2999(98)00484-1.@@Roberts-Crowley ML, Mitra-Ganguli T, Liu L, Rittenhouse AR: Regulation of voltage-gated Ca2+ channels by lipids. Cell Calcium. 2009 Jun;45(6):589-601. doi: 10.1016/j.ceca.2009.03.015. Epub 2009 May 6.@@Moreno C, Macias A, Prieto A, De La Cruz A, Valenzuela C: Polyunsaturated Fatty acids modify the gating of kv channels. Front Pharmacol. 2012 Sep 10;3:163. doi: 10.3389/fphar.2012.00163. eCollection 2012.@@Elinder F, Liin SI: Actions and Mechanisms of Polyunsaturated Fatty Acids on Voltage-Gated Ion Channels. Front Physiol. 2017 Feb 6;8:43. doi: 10.3389/fphys.2017.00043. eCollection 2017." Approved; Nutraceutical Antiarrhythmic agents; Fish Oils; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Oils; Calcium Channel Blockers; Lipids; Cytochrome P-450 CYP3A Substrates; Vasodilating Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates 638 Fish_oil 4419 DB13961 Fish oil BE0004903 NFKB2 P19838 NFKB1_HUMAN regulator 28760435 "Rodriguez-Cruz M, Serna DS: Nutrigenomics of omega-3 fatty acids: Regulators of the master transcription factors. Nutrition. 2017 Sep;41:90-96. doi: 10.1016/j.nut.2017.04.012. Epub 2017 May 2." Approved; Nutraceutical Antiarrhythmic agents; Fish Oils; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Oils; Calcium Channel Blockers; Lipids; Cytochrome P-450 CYP3A Substrates; Vasodilating Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates 638 Fish_oil 4419 DB13961 Fish oil BE0005540 SREBF1 P36956 SRBP1_HUMAN regulator 28760435 "Rodriguez-Cruz M, Serna DS: Nutrigenomics of omega-3 fatty acids: Regulators of the master transcription factors. Nutrition. 2017 Sep;41:90-96. doi: 10.1016/j.nut.2017.04.012. Epub 2017 May 2." Approved; Nutraceutical Antiarrhythmic agents; Fish Oils; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Oils; Calcium Channel Blockers; Lipids; Cytochrome P-450 CYP3A Substrates; Vasodilating Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates 638 Fish_oil 4419 DB13961 Fish oil BE0000071 PPARA Q07869 PPARA_HUMAN regulator 28760435 "Rodriguez-Cruz M, Serna DS: Nutrigenomics of omega-3 fatty acids: Regulators of the master transcription factors. Nutrition. 2017 Sep;41:90-96. doi: 10.1016/j.nut.2017.04.012. Epub 2017 May 2." Approved; Nutraceutical Antiarrhythmic agents; Fish Oils; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Oils; Calcium Channel Blockers; Lipids; Cytochrome P-450 CYP3A Substrates; Vasodilating Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates 638 Fish_oil 4419 DB13961 Fish oil BE0000215 PPARG P37231 PPARG_HUMAN 28760435 "Rodriguez-Cruz M, Serna DS: Nutrigenomics of omega-3 fatty acids: Regulators of the master transcription factors. Nutrition. 2017 Sep;41:90-96. doi: 10.1016/j.nut.2017.04.012. Epub 2017 May 2." Approved; Nutraceutical Antiarrhythmic agents; Fish Oils; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Oils; Calcium Channel Blockers; Lipids; Cytochrome P-450 CYP3A Substrates; Vasodilating Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates 638 Fish_oil 4419 DB13961 Fish oil BE0001007 PPARD Q03181 PPARD_HUMAN regulator 28760435 "Rodriguez-Cruz M, Serna DS: Nutrigenomics of omega-3 fatty acids: Regulators of the master transcription factors. Nutrition. 2017 Sep;41:90-96. doi: 10.1016/j.nut.2017.04.012. Epub 2017 May 2." Approved; Nutraceutical Antiarrhythmic agents; Fish Oils; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Oils; Calcium Channel Blockers; Lipids; Cytochrome P-450 CYP3A Substrates; Vasodilating Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates 638 Fish_oil 4419 DB13983 "5,7,2_-trihydroxy-6,8-dimethoxyflavone" BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 14637197 "Huen MS, Hui KM, Leung JW, Sigel E, Baur R, Wong JT, Xue H: Naturally occurring 2'-hydroxyl-substituted flavonoids as high-affinity benzodiazepine site ligands. Biochem Pharmacol. 2003 Dec 15;66(12):2397-407." Experimental COC1=C(O)C(OC)=C2OC(=CC(=O)C2=C1O)C1=CC=CC=C1O CHEMBL488994 DB13988 SB-269970 BE0000650 HTR7 P34969 5HT7R_HUMAN antagonist 10669560 "Lovell PJ, Bromidge SM, Dabbs S, Duckworth DM, Forbes IT, Jennings AJ, King FD, Middlemiss DN, Rahman SK, Saunders DV, Collin LL, Hagan JJ, Riley GJ, Thomas DR: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). J Med Chem. 2000 Feb 10;43(3):342-5." Investigational Sulfones; Sulfur Compounds; Amides; Benzene Derivatives CC1CCN(CC[C@H]2CCCN2S(=O)(=O)C2=CC=CC(O)=C2)CC1 SB-269970 CHEMBL282199 DB13994 AZD-7325 BE0000381 GABRA2 P47869 GBRA2_HUMAN positive allosteric modulator 22122233; 24802722 "Zhou D, Sunzel M, Ribadeneira MD, Smith MA, Desai D, Lin J, Grimm SW: A clinical study to assess CYP1A2 and CYP3A4 induction by AZD7325, a selective GABA(A) receptor modulator - an in vitro and in vivo comparison. Br J Clin Pharmacol. 2012 Jul;74(1):98-108. doi: 10.1111/j.1365-2125.2011.04155.x.@@Chen X, Jacobs G, de Kam M, Jaeger J, Lappalainen J, Maruff P, Smith MA, Cross AJ, Cohen A, van Gerven J: The central nervous system effects of the partial GABA-Aalpha2,3 -selective receptor modulator AZD7325 in comparison with lorazepam in healthy males. Br J Clin Pharmacol. 2014 Dec;78(6):1298-314. doi: 10.1111/bcp.12413." Investigational "GABA Modulators; Heterocyclic Compounds, Fused-Ring" CCCNC(=O)C1=C(N)C2=CC=CC(=C2N=N1)C1=C(F)C=CC=C1OC CHEMBL1783282 DB13996 Magnesium acetate BE0000732 ATP1A1 P05023 AT1A1_HUMAN 16808357; 16928192; 16990961; 17294093 "Buchachenko AL, Kuznetsov DA, Berdinskii VL: [New mechanisms of biological effects of electromagnetic fields]. Biofizika. 2006 May-Jun;51(3):545-52.@@Sirijovski N, Olsson U, Lundqvist J, Al-Karadaghi S, Willows RD, Hansson M: ATPase activity associated with the magnesium chelatase H-subunit of the chlorophyll biosynthetic pathway is an artefact. Biochem J. 2006 Dec 15;400(3):477-84.@@Balasubramaniyan V, Nalini N: Leptin alters brain adenosine triphosphatase activity in ethanol-mediated neurotoxicity in mice. Singapore Med J. 2006 Oct;47(10):864-8.@@Nogovitsina OR, Levitina EV: Neurological aspects of the clinical features, pathophysiology, and corrections of impairments in attention deficit hyperactivity disorder. Neurosci Behav Physiol. 2007 Mar;37(3):199-202." Approved Acetate salts Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives "Fatty Acids, Volatile; Agents that produce neuromuscular block (indirect); Laxatives; Lipids; Acids, Acyclic; Fatty Acids" [Mg++].CC([O-])=O.CC([O-])=O 5253 Magnesium_acetate CHEMBL1200691 DB13998 Lonoctocog alfa BE0000216 F10 P00742 FA10_HUMAN activator 13801371; 14285227; 236567; 6436416; 11891806 "BLATRIX C, SOULIER JP: [Preparation of a fraction rich in prothrombin, proconvertin, Stuart factor and antihemophilic factor B (P.P.B. fraction)]. Pathol Biol (Paris). 1959 Dec;7:2477-86.@@LUNDBLAD RL, DAVIE EW: THE ACTIVATION OF STUART FACTOR (FACTOR X) BY ACTIVATED ANTIHEMOPHILIC FACTOR (ACTIVATED FACTOR 8). Biochemistry. 1965 Jan;4:113-20.@@Radnoff OD, Saito H: Inhibition of Hageman factor, plasma thromboplastin antecedent, thrombin and other clotting factors by phenylglyoxal hydrate (38500). Proc Soc Exp Biol Med. 1975 Jan;148(1):177-82.@@Orthner CL: Characterization of proteases in AHF concentrates: effect on factor VIII:von Willebrand protein as assessed by high-pressure gel permeation chromatography. J Lab Clin Med. 1984 Nov;104(5):816-28.@@Freedman J, Mody M, Lazarus AH, Dewar L, Song S, Blanchette VS, Garvey MB, Ofosu FA: Platelet activation and hypercoagulability following treatment with porcine factor VIII (HYATE:C). Am J Hematol. 2002 Mar;69(3):192-9." Approved; Investigational Hemostatics 22826 Factor_VIII_(medication) DB13998 Lonoctocog alfa BE0001043 VWF P04275 VWF_HUMAN binder 10938981; 11858481; 14750934; 2128855; 2942172 "Shord SS, Lindley CM: Coagulation products and their uses. Am J Health Syst Pharm. 2000 Aug 1;57(15):1403-17; quiz 1418-20.@@Lillicrap D, Poon MC, Walker I, Xie F, Schwartz BA: Efficacy and safety of the factor VIII/von Willebrand factor concentrate, haemate-P/humate-P: ristocetin cofactor unit dosing in patients with von Willebrand disease. Thromb Haemost. 2002 Feb;87(2):224-30.@@Gill JC, Ewenstein BM, Thompson AR, Mueller-Velten G, Schwartz BA: Successful treatment of urgent bleeding in von Willebrand disease with factor VIII/VWF concentrate (Humate-P): use of the ristocetin cofactor assay (VWF:RCo) to measure potency and to guide therapy. Haemophilia. 2003 Nov;9(6):688-95.@@Smith KJ, Lusher JM, Cohen AR, Salzman P: Initial clinical experience with a new pasteurized monoclonal antibody purified factor VIIIC. Semin Hematol. 1990 Apr;27(2 Suppl 2):25-9.@@Altieri DC, Capitanio AM, Mannucci PM: von Willebrand factor contaminating porcine factor VIII concentrate (Hyate:C) causes platelet aggregation. Br J Haematol. 1986 Aug;63(4):703-11." Approved; Investigational Hemostatics 22826 Factor_VIII_(medication) DB13998 Lonoctocog alfa BE0002117 PHYH O14832 PAHX_HUMAN antagonist 17139284; 17016423; 11574539 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen C, Wang Q, Fang X, Xu Q, Chi C, Gu J: Roles of phytanoyl-CoA alpha-hydroxylase in mediating the expression of human coagulation factor VIII. J Biol Chem. 2001 Dec 7;276(49):46340-6." Approved; Investigational Hemostatics 22826 Factor_VIII_(medication) DB13998 Lonoctocog alfa BE0002118 ASGR2 P07307 ASGR2_HUMAN binder 17139284; 17016423; 15946216 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Bovenschen N, Rijken DC, Havekes LM, van Vlijmen BJ, Mertens K: The B domain of coagulation factor VIII interacts with the asialoglycoprotein receptor. J Thromb Haemost. 2005 Jun;3(6):1257-65." Approved; Investigational Hemostatics 22826 Factor_VIII_(medication) DB13998 Lonoctocog alfa BE0002109 CALR P27797 CALR_HUMAN chaperone 17139284; 17016423; 9525969; 17899080; 9607108 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Pipe SW, Morris JA, Shah J, Kaufman RJ: Differential interaction of coagulation factor VIII and factor V with protein chaperones calnexin and calreticulin. J Biol Chem. 1998 Apr 3;273(14):8537-44.@@Srour MA, Grupp J, Aburubaiha Z, Albert T, Brondke H, Oldenburg J, Schwaab R: Modified expression of coagulation factor VIII by addition of a glycosylation site at the N terminus of the protein. Ann Hematol. 2008 Feb;87(2):107-12. Epub 2007 Sep 26.@@Kaufman RJ, Pipe SW, Tagliavacca L, Swaroop M, Moussalli M: Biosynthesis, assembly and secretion of coagulation factor VIII. Blood Coagul Fibrinolysis. 1997 Dec;8 Suppl 2:S3-14." Approved; Investigational Hemostatics 22826 Factor_VIII_(medication) DB13998 Lonoctocog alfa BE0001011 CANX P27824 CALX_HUMAN chaperone 17139284; 17016423; 9525969; 15213841; 17899080; 9607108 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Pipe SW, Morris JA, Shah J, Kaufman RJ: Differential interaction of coagulation factor VIII and factor V with protein chaperones calnexin and calreticulin. J Biol Chem. 1998 Apr 3;273(14):8537-44.@@Becker S, Simpson JC, Pepperkok R, Heinz S, Herder C, Grez M, Seifried E, Tonn T: Confocal microscopy analysis of native, full length and B-domain deleted coagulation factor VIII trafficking in mammalian cells. Thromb Haemost. 2004 Jul;92(1):23-35.@@Srour MA, Grupp J, Aburubaiha Z, Albert T, Brondke H, Oldenburg J, Schwaab R: Modified expression of coagulation factor VIII by addition of a glycosylation site at the N terminus of the protein. Ann Hematol. 2008 Feb;87(2):107-12. Epub 2007 Sep 26.@@Kaufman RJ, Pipe SW, Tagliavacca L, Swaroop M, Moussalli M: Biosynthesis, assembly and secretion of coagulation factor VIII. Blood Coagul Fibrinolysis. 1997 Dec;8 Suppl 2:S3-14." Approved; Investigational Hemostatics 22826 Factor_VIII_(medication) DB13998 Lonoctocog alfa BE0002119 LMAN1 P49257 LMAN1_HUMAN chaperone 17139284; 17016423; 14629470; 14726380 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Cunningham MA, Pipe SW, Zhang B, Hauri HP, Ginsburg D, Kaufman RJ: LMAN1 is a molecular chaperone for the secretion of coagulation factor VIII. J Thromb Haemost. 2003 Nov;1(11):2360-7.@@Miao HZ, Sirachainan N, Palmer L, Kucab P, Cunningham MA, Kaufman RJ, Pipe SW: Bioengineering of coagulation factor VIII for improved secretion. Blood. 2004 May 1;103(9):3412-9. Epub 2004 Jan 15." Approved; Investigational Hemostatics 22826 Factor_VIII_(medication) DB13998 Lonoctocog alfa BE0002110 LRP1 Q07954 LRP1_HUMAN modulator 17139284; 17016423; 21391865 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Franchini M, Montagnana M: Low-density lipoprotein receptor-related protein 1: new functions for an old molecule. Clin Chem Lab Med. 2011 Jun;49(6):967-70. doi: 10.1515/CCLM.2011.154. Epub 2011 Mar 11." Approved; Investigational Hemostatics 22826 Factor_VIII_(medication) DB13998 Lonoctocog alfa BE0002120 MCFD2 Q8NI22 MCFD2_HUMAN modulator 17139284; 17016423; 15886209 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Zhang B, Kaufman RJ, Ginsburg D: LMAN1 and MCFD2 form a cargo receptor complex and interact with coagulation factor VIII in the early secretory pathway. J Biol Chem. 2005 Jul 8;280(27):25881-6. Epub 2005 May 10." Approved; Investigational Hemostatics 22826 Factor_VIII_(medication) DB13999 Moroctocog alfa BE0000216 F10 P00742 FA10_HUMAN activator 13801371; 14285227; 236567; 6436416; 11891806 "BLATRIX C, SOULIER JP: [Preparation of a fraction rich in prothrombin, proconvertin, Stuart factor and antihemophilic factor B (P.P.B. fraction)]. Pathol Biol (Paris). 1959 Dec;7:2477-86.@@LUNDBLAD RL, DAVIE EW: THE ACTIVATION OF STUART FACTOR (FACTOR X) BY ACTIVATED ANTIHEMOPHILIC FACTOR (ACTIVATED FACTOR 8). Biochemistry. 1965 Jan;4:113-20.@@Radnoff OD, Saito H: Inhibition of Hageman factor, plasma thromboplastin antecedent, thrombin and other clotting factors by phenylglyoxal hydrate (38500). Proc Soc Exp Biol Med. 1975 Jan;148(1):177-82.@@Orthner CL: Characterization of proteases in AHF concentrates: effect on factor VIII:von Willebrand protein as assessed by high-pressure gel permeation chromatography. J Lab Clin Med. 1984 Nov;104(5):816-28.@@Freedman J, Mody M, Lazarus AH, Dewar L, Song S, Blanchette VS, Garvey MB, Ofosu FA: Platelet activation and hypercoagulability following treatment with porcine factor VIII (HYATE:C). Am J Hematol. 2002 Mar;69(3):192-9." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Biological Factors; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 12787 D08232 Moroctocog_alfa CHEMBL2109137 DB13999 Moroctocog alfa BE0001043 VWF P04275 VWF_HUMAN binder 10938981; 11858481; 14750934; 2128855; 2942172 "Shord SS, Lindley CM: Coagulation products and their uses. Am J Health Syst Pharm. 2000 Aug 1;57(15):1403-17; quiz 1418-20.@@Lillicrap D, Poon MC, Walker I, Xie F, Schwartz BA: Efficacy and safety of the factor VIII/von Willebrand factor concentrate, haemate-P/humate-P: ristocetin cofactor unit dosing in patients with von Willebrand disease. Thromb Haemost. 2002 Feb;87(2):224-30.@@Gill JC, Ewenstein BM, Thompson AR, Mueller-Velten G, Schwartz BA: Successful treatment of urgent bleeding in von Willebrand disease with factor VIII/VWF concentrate (Humate-P): use of the ristocetin cofactor assay (VWF:RCo) to measure potency and to guide therapy. Haemophilia. 2003 Nov;9(6):688-95.@@Smith KJ, Lusher JM, Cohen AR, Salzman P: Initial clinical experience with a new pasteurized monoclonal antibody purified factor VIIIC. Semin Hematol. 1990 Apr;27(2 Suppl 2):25-9.@@Altieri DC, Capitanio AM, Mannucci PM: von Willebrand factor contaminating porcine factor VIII concentrate (Hyate:C) causes platelet aggregation. Br J Haematol. 1986 Aug;63(4):703-11." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Biological Factors; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 12787 D08232 Moroctocog_alfa CHEMBL2109137 DB13999 Moroctocog alfa BE0002117 PHYH O14832 PAHX_HUMAN antagonist 17139284; 17016423; 11574539 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen C, Wang Q, Fang X, Xu Q, Chi C, Gu J: Roles of phytanoyl-CoA alpha-hydroxylase in mediating the expression of human coagulation factor VIII. J Biol Chem. 2001 Dec 7;276(49):46340-6." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Biological Factors; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 12787 D08232 Moroctocog_alfa CHEMBL2109137 DB13999 Moroctocog alfa BE0002118 ASGR2 P07307 ASGR2_HUMAN binder 17139284; 17016423; 15946216 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Bovenschen N, Rijken DC, Havekes LM, van Vlijmen BJ, Mertens K: The B domain of coagulation factor VIII interacts with the asialoglycoprotein receptor. J Thromb Haemost. 2005 Jun;3(6):1257-65." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Biological Factors; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 12787 D08232 Moroctocog_alfa CHEMBL2109137 DB13999 Moroctocog alfa BE0002109 CALR P27797 CALR_HUMAN chaperone 17139284; 17016423; 9525969; 17899080; 9607108 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Pipe SW, Morris JA, Shah J, Kaufman RJ: Differential interaction of coagulation factor VIII and factor V with protein chaperones calnexin and calreticulin. J Biol Chem. 1998 Apr 3;273(14):8537-44.@@Srour MA, Grupp J, Aburubaiha Z, Albert T, Brondke H, Oldenburg J, Schwaab R: Modified expression of coagulation factor VIII by addition of a glycosylation site at the N terminus of the protein. Ann Hematol. 2008 Feb;87(2):107-12. Epub 2007 Sep 26.@@Kaufman RJ, Pipe SW, Tagliavacca L, Swaroop M, Moussalli M: Biosynthesis, assembly and secretion of coagulation factor VIII. Blood Coagul Fibrinolysis. 1997 Dec;8 Suppl 2:S3-14." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Biological Factors; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 12787 D08232 Moroctocog_alfa CHEMBL2109137 DB13999 Moroctocog alfa BE0001011 CANX P27824 CALX_HUMAN chaperone 17139284; 17016423; 9525969; 15213841; 17899080; 9607108 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Pipe SW, Morris JA, Shah J, Kaufman RJ: Differential interaction of coagulation factor VIII and factor V with protein chaperones calnexin and calreticulin. J Biol Chem. 1998 Apr 3;273(14):8537-44.@@Becker S, Simpson JC, Pepperkok R, Heinz S, Herder C, Grez M, Seifried E, Tonn T: Confocal microscopy analysis of native, full length and B-domain deleted coagulation factor VIII trafficking in mammalian cells. Thromb Haemost. 2004 Jul;92(1):23-35.@@Srour MA, Grupp J, Aburubaiha Z, Albert T, Brondke H, Oldenburg J, Schwaab R: Modified expression of coagulation factor VIII by addition of a glycosylation site at the N terminus of the protein. Ann Hematol. 2008 Feb;87(2):107-12. Epub 2007 Sep 26.@@Kaufman RJ, Pipe SW, Tagliavacca L, Swaroop M, Moussalli M: Biosynthesis, assembly and secretion of coagulation factor VIII. Blood Coagul Fibrinolysis. 1997 Dec;8 Suppl 2:S3-14." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Biological Factors; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 12787 D08232 Moroctocog_alfa CHEMBL2109137 DB13999 Moroctocog alfa BE0002119 LMAN1 P49257 LMAN1_HUMAN chaperone 17139284; 17016423; 14629470; 14726380 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Cunningham MA, Pipe SW, Zhang B, Hauri HP, Ginsburg D, Kaufman RJ: LMAN1 is a molecular chaperone for the secretion of coagulation factor VIII. J Thromb Haemost. 2003 Nov;1(11):2360-7.@@Miao HZ, Sirachainan N, Palmer L, Kucab P, Cunningham MA, Kaufman RJ, Pipe SW: Bioengineering of coagulation factor VIII for improved secretion. Blood. 2004 May 1;103(9):3412-9. Epub 2004 Jan 15." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Biological Factors; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 12787 D08232 Moroctocog_alfa CHEMBL2109137 DB13999 Moroctocog alfa BE0002110 LRP1 Q07954 LRP1_HUMAN modulator 17139284; 17016423; 21391865 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Franchini M, Montagnana M: Low-density lipoprotein receptor-related protein 1: new functions for an old molecule. Clin Chem Lab Med. 2011 Jun;49(6):967-70. doi: 10.1515/CCLM.2011.154. Epub 2011 Mar 11." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Biological Factors; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 12787 D08232 Moroctocog_alfa CHEMBL2109137 DB13999 Moroctocog alfa BE0002120 MCFD2 Q8NI22 MCFD2_HUMAN modulator 17139284; 17016423; 15886209 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Zhang B, Kaufman RJ, Ginsburg D: LMAN1 and MCFD2 form a cargo receptor complex and interact with coagulation factor VIII in the early secretory pathway. J Biol Chem. 2005 Jul 8;280(27):25881-6. Epub 2005 May 10." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Biological Factors; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins" 12787 D08232 Moroctocog_alfa CHEMBL2109137 DB14001 alpha-Tocopherol succinate BE0000256 SEC14L2 O76054 S14L2_HUMAN 16579965; 17252538 "Neuzil J, Dong LF, Wang XF, Zingg JM: Tocopherol-associated protein-1 accelerates apoptosis induced by alpha-tocopheryl succinate in mesothelioma cells. Biochem Biophys Res Commun. 2006 May 19;343(4):1113-7. Epub 2006 Mar 31.@@Ni J, Pang ST, Yeh S: Differential retention of alpha-vitamin E is correlated with its transporter gene expression and growth inhibition efficacy in prostate cancer cells. Prostate. 2007 Apr 1;67(5):463-71." Approved; Nutraceutical; Vet_approved Vitamin E compounds Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids "Tocopherols; Antioxidants; Physiological Phenomena; Vitamins; Biological Factors; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamins (Fat Soluble); Protective Agents; Food; Micronutrients; Vitamin E; Pyrans; Compounds used in a research, industrial, or household setting" [H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1 701 CHEMBL81421 DB14001 alpha-Tocopherol succinate BE0000872 PRKCB P05771 KPCB_HUMAN 17139284; 17016423; 15184978; 11850093; 10644549 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wigg SJ, Tare M, Forbes J, Cooper ME, Thomas MC, Coleman HA, Parkington HC, O'Brien RC: Early vitamin E supplementation attenuates diabetes-associated vascular dysfunction and the rise in protein kinase C-beta in mesenteric artery and ameliorates wall stiffness in femoral artery of Wistar rats. Diabetologia. 2004 Jun;47(6):1038-46. Epub 2004 Jun 8.@@Huang Y, Ishizuka T, Miura A, Kajita K, Ishizawa M, Kimura M, Yamamoto Y, Kawai Y, Morita H, Uno Y, Yasuda K: Effect of 1 alpha,25-dihydroxy vitamin D3 and vitamin E on insulin-induced glucose uptake in rat adipocytes. Diabetes Res Clin Pract. 2002 Mar;55(3):175-83.@@Ganz MB, Seftel A: Glucose-induced changes in protein kinase C and nitric oxide are prevented by vitamin E. Am J Physiol Endocrinol Metab. 2000 Jan;278(1):E146-52." Approved; Nutraceutical; Vet_approved Vitamin E compounds Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids "Tocopherols; Antioxidants; Physiological Phenomena; Vitamins; Biological Factors; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamins (Fat Soluble); Protective Agents; Food; Micronutrients; Vitamin E; Pyrans; Compounds used in a research, industrial, or household setting" [H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1 701 CHEMBL81421 DB14001 alpha-Tocopherol succinate BE0001132 PRKCA P17252 KPCA_HUMAN 17139284; 17016423; 9430404; 11736999; 11850093 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Azzi A, Boscoboinik D, Clement S, Marilley D, Ozer NK, Ricciarelli R, Tasinato A: Alpha-tocopherol as a modulator of smooth muscle cell proliferation. Prostaglandins Leukot Essent Fatty Acids. 1997 Oct;57(4-5):507-14.@@Sylvester PW, McIntyre BS, Gapor A, Briski KP: Vitamin E inhibition of normal mammary epithelial cell growth is associated with a reduction in protein kinase C(alpha) activation. Cell Prolif. 2001 Dec;34(6):347-57.@@Huang Y, Ishizuka T, Miura A, Kajita K, Ishizawa M, Kimura M, Yamamoto Y, Kawai Y, Morita H, Uno Y, Yasuda K: Effect of 1 alpha,25-dihydroxy vitamin D3 and vitamin E on insulin-induced glucose uptake in rat adipocytes. Diabetes Res Clin Pract. 2002 Mar;55(3):175-83." Approved; Nutraceutical; Vet_approved Vitamin E compounds Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids "Tocopherols; Antioxidants; Physiological Phenomena; Vitamins; Biological Factors; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamins (Fat Soluble); Protective Agents; Food; Micronutrients; Vitamin E; Pyrans; Compounds used in a research, industrial, or household setting" [H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1 701 CHEMBL81421 DB14001 alpha-Tocopherol succinate BE0009935 DGKA Q13574 DGKZ_HUMAN 17320164; 15773894 "Zingg JM: Modulation of signal transduction by vitamin E. Mol Aspects Med. 2007 Oct-Dec;28(5-6):481-506. doi: 10.1016/j.mam.2006.12.009. Epub 2007 Jan 12.@@Fukunaga-Takenaka R, Shirai Y, Yagi K, Adachi N, Sakai N, Merino E, Merida I, Saito N: Importance of chroman ring and tyrosine phosphorylation in the subtype-specific translocation and activation of diacylglycerol kinase alpha by D-alpha-tocopherol. Genes Cells. 2005 Apr;10(4):311-9. doi: 10.1111/j.1365-2443.2005.00842.x." Approved; Nutraceutical; Vet_approved Vitamin E compounds Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids "Tocopherols; Antioxidants; Physiological Phenomena; Vitamins; Biological Factors; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamins (Fat Soluble); Protective Agents; Food; Micronutrients; Vitamin E; Pyrans; Compounds used in a research, industrial, or household setting" [H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1 701 CHEMBL81421 DB14002 D-alpha-Tocopherol acetate BE0000256 SEC14L2 O76054 S14L2_HUMAN 16579965; 17252538 "Neuzil J, Dong LF, Wang XF, Zingg JM: Tocopherol-associated protein-1 accelerates apoptosis induced by alpha-tocopheryl succinate in mesothelioma cells. Biochem Biophys Res Commun. 2006 May 19;343(4):1113-7. Epub 2006 Mar 31.@@Ni J, Pang ST, Yeh S: Differential retention of alpha-vitamin E is correlated with its transporter gene expression and growth inhibition efficacy in prostate cancer cells. Prostate. 2007 Apr 1;67(5):463-71." Approved; Nutraceutical; Vet_approved "Tocopherols; Antioxidants; Physiological Phenomena; Vitamins; Biological Factors; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamins (Fat Soluble); Protective Agents; Food; Micronutrients; Vitamin E; Pyrans; Compounds used in a research, industrial, or household setting" CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1 2295 D01735 Tocopheryl_acetate CHEMBL1047 1441649 DB14002 D-alpha-Tocopherol acetate BE0000872 PRKCB P05771 KPCB_HUMAN 17139284; 17016423; 15184978; 11850093; 10644549 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wigg SJ, Tare M, Forbes J, Cooper ME, Thomas MC, Coleman HA, Parkington HC, O'Brien RC: Early vitamin E supplementation attenuates diabetes-associated vascular dysfunction and the rise in protein kinase C-beta in mesenteric artery and ameliorates wall stiffness in femoral artery of Wistar rats. Diabetologia. 2004 Jun;47(6):1038-46. Epub 2004 Jun 8.@@Huang Y, Ishizuka T, Miura A, Kajita K, Ishizawa M, Kimura M, Yamamoto Y, Kawai Y, Morita H, Uno Y, Yasuda K: Effect of 1 alpha,25-dihydroxy vitamin D3 and vitamin E on insulin-induced glucose uptake in rat adipocytes. Diabetes Res Clin Pract. 2002 Mar;55(3):175-83.@@Ganz MB, Seftel A: Glucose-induced changes in protein kinase C and nitric oxide are prevented by vitamin E. Am J Physiol Endocrinol Metab. 2000 Jan;278(1):E146-52." Approved; Nutraceutical; Vet_approved "Tocopherols; Antioxidants; Physiological Phenomena; Vitamins; Biological Factors; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamins (Fat Soluble); Protective Agents; Food; Micronutrients; Vitamin E; Pyrans; Compounds used in a research, industrial, or household setting" CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1 2295 D01735 Tocopheryl_acetate CHEMBL1047 1441649 DB14002 D-alpha-Tocopherol acetate BE0001132 PRKCA P17252 KPCA_HUMAN 17139284; 17016423; 9430404; 11736999; 11850093 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Azzi A, Boscoboinik D, Clement S, Marilley D, Ozer NK, Ricciarelli R, Tasinato A: Alpha-tocopherol as a modulator of smooth muscle cell proliferation. Prostaglandins Leukot Essent Fatty Acids. 1997 Oct;57(4-5):507-14.@@Sylvester PW, McIntyre BS, Gapor A, Briski KP: Vitamin E inhibition of normal mammary epithelial cell growth is associated with a reduction in protein kinase C(alpha) activation. Cell Prolif. 2001 Dec;34(6):347-57.@@Huang Y, Ishizuka T, Miura A, Kajita K, Ishizawa M, Kimura M, Yamamoto Y, Kawai Y, Morita H, Uno Y, Yasuda K: Effect of 1 alpha,25-dihydroxy vitamin D3 and vitamin E on insulin-induced glucose uptake in rat adipocytes. Diabetes Res Clin Pract. 2002 Mar;55(3):175-83." Approved; Nutraceutical; Vet_approved "Tocopherols; Antioxidants; Physiological Phenomena; Vitamins; Biological Factors; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamins (Fat Soluble); Protective Agents; Food; Micronutrients; Vitamin E; Pyrans; Compounds used in a research, industrial, or household setting" CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1 2295 D01735 Tocopheryl_acetate CHEMBL1047 1441649 DB14006 Choline salicylate BE0000615 PCYT1A P49585 PCY1A_HUMAN product of 17184542; 17218027 "Enaw JO, Zhu H, Yang W, Lu W, Shaw GM, Lammer EJ, Finnell RH: CHKA and PCYT1A gene polymorphisms, choline intake and spina bifida risk in a California population. BMC Med. 2006 Dec 21;4:36.@@Li L, She H, Yue SJ, Qin XQ, Guan CX, Liu HJ, Luo ZQ: Role of c-fos gene in vasoactive intestinal peptide promoted synthesis of pulmonary surfactant phospholipids. Regul Pept. 2007 May 3;140(3):117-24. Epub 2007 Jan 10." Approved; Nutraceutical Salicylic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Quaternary Ammonium Compounds; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Hydroxybenzoates; Benzene Derivatives; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Benzoates; Hydroxy Acids; Phenols; Alcohols; Drugs that are Mainly Renally Excreted; Salicylates; Onium Compounds; Acids, Carbocyclic; Analgesics; Pharmaceutical Preparations; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System" C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O 4947 D00810 Choline CHEMBL2104095 DB14006 Choline salicylate BE0002179 PLD2 O14939 PLD2_HUMAN product of 16179605; 16459925; 17627030; 16921342; 16878701 "Lee JS, Kim JH, Jang IH, Kim HS, Han JM, Kazlauskas A, Yagisawa H, Suh PG, Ryu SH: Phosphatidylinositol (3,4,5)-trisphosphate specifically interacts with the phox homology domain of phospholipase D1 and stimulates its activity. J Cell Sci. 2005 Oct 1;118(Pt 19):4405-13.@@Singh AT, Frohman MA, Stern PH: Parathyroid hormone stimulates phosphatidylethanolamine hydrolysis by phospholipase D in osteoblastic cells. Lipids. 2005 Nov;40(11):1135-40.@@Paruch S, Heinis M, Lemay J, Hoeffel G, Maranon C, Hosmalin A, Perianin A: CCR5 signaling through phospholipase D involves p44/42 MAP-kinases and promotes HIV-1 LTR-directed gene expression. FASEB J. 2007 Dec;21(14):4038-46. Epub 2007 Jul 12.@@Szumilo M, Rahden-Staron I: [Phospholipase D in mammalian cells: structure, properties, physiological and pathological role]. Postepy Hig Med Dosw (Online). 2006;60:421-30.@@Fensome-Green A, Cockcroft S: Reconstitution system based on cytosol-depleted cells to study the regulation of phospholipase D. Methods Mol Biol. 2006;332:299-310." Approved; Nutraceutical Salicylic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Quaternary Ammonium Compounds; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Hydroxybenzoates; Benzene Derivatives; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Benzoates; Hydroxy Acids; Phenols; Alcohols; Drugs that are Mainly Renally Excreted; Salicylates; Onium Compounds; Acids, Carbocyclic; Analgesics; Pharmaceutical Preparations; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System" C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O 4947 D00810 Choline CHEMBL2104095 DB14006 Choline salicylate BE0002180 BCHE P06276 CHLE_HUMAN product of 17329059; 16297435; 17636231; 17390078; 16376069 "Hsieh BC, Matsumoto K, Cheng TJ, Yuu G, Chen RL: Choline biosensor constructed with chitinous membrane from soldier crab and its application in measuring cholinesterase inhibitory activities. J Pharm Biomed Anal. 2007 Nov 30;45(4):673-8. Epub 2007 Jan 24.@@Amenta F, Tayebati SK, Vitali D, Di Tullio MA: Association with the cholinergic precursor choline alphoscerate and the cholinesterase inhibitor rivastigmine: an approach for enhancing cholinergic neurotransmission. Mech Ageing Dev. 2006 Feb;127(2):173-9. Epub 2005 Nov 16.@@Lurie S, Sadan O, Oron G, Fux A, Boaz M, Ezri T, Golan A, Bar J: Reduced pseudocholinesterase activity in patients with HELLP syndrome. Reprod Sci. 2007 Feb;14(2):192-6.@@Calaf GM, Roy D: Gene expression signature of parathion-transformed human breast epithelial cells. Int J Mol Med. 2007 May;19(5):741-50.@@Stoytcheva M, Zlatev R, Valdez B, Magnin JP, Velkova Z: Electrochemical sensor based on Arthrobacter globiformis for cholinesterase activity determination. Biosens Bioelectron. 2006 Jul 15;22(1):1-9. Epub 2005 Dec 20." Approved; Nutraceutical Salicylic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Quaternary Ammonium Compounds; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Hydroxybenzoates; Benzene Derivatives; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Benzoates; Hydroxy Acids; Phenols; Alcohols; Drugs that are Mainly Renally Excreted; Salicylates; Onium Compounds; Acids, Carbocyclic; Analgesics; Pharmaceutical Preparations; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System" C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O 4947 D00810 Choline CHEMBL2104095 DB14006 Choline salicylate BE0002181 PLD1 Q13393 PLD1_HUMAN product of 16179605 "Lee JS, Kim JH, Jang IH, Kim HS, Han JM, Kazlauskas A, Yagisawa H, Suh PG, Ryu SH: Phosphatidylinositol (3,4,5)-trisphosphate specifically interacts with the phox homology domain of phospholipase D1 and stimulates its activity. J Cell Sci. 2005 Oct 1;118(Pt 19):4405-13." Approved; Nutraceutical Salicylic acids Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Quaternary Ammonium Compounds; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Hydroxybenzoates; Benzene Derivatives; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Benzoates; Hydroxy Acids; Phenols; Alcohols; Drugs that are Mainly Renally Excreted; Salicylates; Onium Compounds; Acids, Carbocyclic; Analgesics; Pharmaceutical Preparations; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System" C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O 4947 D00810 Choline CHEMBL2104095 DB14009 Medical Cannabis BE0000061 CNR1 P21554 CNR1_HUMAN negative modulator 17828291; 26218440; 26264914 "Pertwee RG: The diverse CB1 and CB2 receptor pharmacology of three plant cannabinoids: delta9-tetrahydrocannabinol, cannabidiol and delta9-tetrahydrocannabivarin. Br J Pharmacol. 2008 Jan;153(2):199-215. doi: 10.1038/sj.bjp.0707442. Epub 2007 Sep 10.@@Laprairie RB, Bagher AM, Kelly ME, Denovan-Wright EM: Cannabidiol is a negative allosteric modulator of the cannabinoid CB1 receptor. Br J Pharmacol. 2015 Oct;172(20):4790-805. doi: 10.1111/bph.13250. Epub 2015 Oct 13.@@Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Experimental; Investigational Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Medical_cannabis 2168435 DB14009 Medical Cannabis BE0000433 GLRA1 P23415 GLRA1_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Experimental; Investigational Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Medical_cannabis 2168435 DB14009 Medical Cannabis BE0000414 GLRA3 O75311 GLRA3_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Experimental; Investigational Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Medical_cannabis 2168435 DB14009 Medical Cannabis BE0000420 OPRD1 P41143 OPRD_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Experimental; Investigational Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Medical_cannabis 2168435 DB14009 Medical Cannabis BE0000770 OPRM1 P35372 OPRM_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Experimental; Investigational Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Medical_cannabis 2168435 DB14009 Medical Cannabis BE0000215 PPARG P37231 PPARG_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Experimental; Investigational Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Medical_cannabis 2168435 DB14009 Medical Cannabis BE0000864 CACNA1H O95180 CAC1H_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Experimental; Investigational Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Medical_cannabis 2168435 DB14009 Medical Cannabis BE0000012 CACNA1I Q9P0X4 CAC1I_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Experimental; Investigational Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Medical_cannabis 2168435 DB14009 Medical Cannabis BE0001122 TRPA1 O75762 TRPA1_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Experimental; Investigational Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Medical_cannabis 2168435 DB14009 Medical Cannabis BE0001186 TRPM8 Q7Z2W7 TRPM8_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Experimental; Investigational Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Medical_cannabis 2168435 DB14009 Medical Cannabis BE0009158 TRPV2 Q9Y5S1 TRPV2_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Experimental; Investigational Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Medical_cannabis 2168435 DB14009 Medical Cannabis BE0003997 PLA2G1B P04054 PA21B_HUMAN inhibitor 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Experimental; Investigational Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Medical_cannabis 2168435 DB14009 Medical Cannabis BE0002390 SOD1 P00441 SODC_HUMAN inhibitor 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Experimental; Investigational Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Medical_cannabis 2168435 DB14009 Medical Cannabis BE0002194 FAAH O00519 FAAH1_HUMAN inhibitor 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Experimental; Investigational Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Medical_cannabis 2168435 DB14009 Medical Cannabis BE0001207 CAT P04040 CATA_HUMAN inhibitor 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Experimental; Investigational Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Medical_cannabis 2168435 DB14009 Medical Cannabis BE0000648 GSR P00390 GSHR_HUMAN inducer 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Experimental; Investigational Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Medical_cannabis 2168435 DB14009 Medical Cannabis BE0000574 HMGCR P04035 HMDH_HUMAN inducer 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Experimental; Investigational Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Medical_cannabis 2168435 DB14011 Nabiximols BE0000061 CNR1 P21554 CNR1_HUMAN 26218440 "Laprairie RB, Bagher AM, Kelly ME, Denovan-Wright EM: Cannabidiol is a negative allosteric modulator of the cannabinoid CB1 receptor. Br J Pharmacol. 2015 Oct;172(20):4790-805. doi: 10.1111/bph.13250. Epub 2015 Oct 13." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14011 Nabiximols BE0000433 GLRA1 P23415 GLRA1_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14011 Nabiximols BE0000414 GLRA3 O75311 GLRA3_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14011 Nabiximols BE0000420 OPRD1 P41143 OPRD_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14011 Nabiximols BE0000770 OPRM1 P35372 OPRM_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14011 Nabiximols BE0000215 PPARG P37231 PPARG_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14011 Nabiximols BE0000864 CACNA1H O95180 CAC1H_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14011 Nabiximols BE0000012 CACNA1I Q9P0X4 CAC1I_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14011 Nabiximols BE0001122 TRPA1 O75762 TRPA1_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14011 Nabiximols BE0001186 TRPM8 Q7Z2W7 TRPM8_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14011 Nabiximols BE0009158 TRPV2 Q9Y5S1 TRPV2_HUMAN 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14011 Nabiximols BE0000574 HMGCR P04035 HMDH_HUMAN stimulator 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14011 Nabiximols BE0000648 GSR P00390 GSHR_HUMAN stimulator 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14011 Nabiximols BE0002362 CYP3A5 P20815 CP3A5_HUMAN inhibitor 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14011 Nabiximols BE0003612 CYP3A7 P24462 CP3A7_HUMAN inhibitor 26264914; 24160757 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@Stout SM, Cimino NM: Exogenous cannabinoids as substrates, inhibitors, and inducers of human drug metabolizing enzymes: a systematic review. Drug Metab Rev. 2014 Feb;46(1):86-95. doi: 10.3109/03602532.2013.849268. Epub 2013 Oct 25." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14011 Nabiximols BE0001207 CAT P04040 CATA_HUMAN inhibitor 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14011 Nabiximols BE0002194 FAAH O00519 FAAH1_HUMAN inhibitor 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14011 Nabiximols BE0002390 SOD1 P00441 SODC_HUMAN inhibitor 26264914 "Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3." Investigational Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) [H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C D09317 Nabiximols CHEMBL3833333 DB14017 H3B-8800 BE0009359 SF3B1 O75533 SF3B1_HUMAN inhibitor 21981285; 29457796 "Yokoi A, Kotake Y, Takahashi K, Kadowaki T, Matsumoto Y, Minoshima Y, Sugi NH, Sagane K, Hamaguchi M, Iwata M, Mizui Y: Biological validation that SF3b is a target of the antitumor macrolide pladienolide. FEBS J. 2011 Dec;278(24):4870-80. doi: 10.1111/j.1742-4658.2011.08387.x. Epub 2011 Oct 31.@@Seiler M, Yoshimi A, Darman R, Chan B, Keaney G, Thomas M, Agrawal AA, Caleb B, Csibi A, Sean E, Fekkes P, Karr C, Klimek V, Lai G, Lee L, Kumar P, Lee SC, Liu X, Mackenzie C, Meeske C, Mizui Y, Padron E, Park E, Pazolli E, Peng S, Prajapati S, Taylor J, Teng T, Wang J, Warmuth M, Yao H, Yu L, Zhu P, Abdel-Wahab O, Smith PG, Buonamici S: H3B-8800, an orally available small-molecule splicing modulator, induces lethality in spliceosome-mutant cancers. Nat Med. 2018 May;24(4):497-504. doi: 10.1038/nm.4493. Epub 2018 Feb 19." Investigational C[C@H](\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C)CC2)\C=C\[C@@H]1C)C1=CC=CC=N1 DB14019 Fosnetupitant BE0000384 TACR1 P25103 NK1R_HUMAN antagonist 27713845 Coyne JW: The First Oral Fixed-Dose Combination of Netupitant and Palonosetron for the Treatment of Chemotherapy-Induced Nausea and Vomiting. J Adv Pract Oncol. 2016 Jan-Feb;7(1):66-70. Epub 2016 Jan 1. Approved Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inhibitors; Substance P/Neurokinin-1 Receptor Antagonist; Cytochrome P-450 CYP3A4 Substrates; Netupitant and prodrug; Cytochrome P-450 CYP3A4 Inhibitors CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=CC=C1C)N1CC[N+](C)(COP(O)([O-])=O)CC1 Netupitant/palonosetron CHEMBL3989917 2044417 DB14027 Taspoglutide BE0000857 GLP1R P43220 GLP1R_HUMAN agonist 27981757 "Htike ZZ, Zaccardi F, Papamargaritis D, Webb DR, Khunti K, Davies MJ: Efficacy and safety of glucagon-like peptide-1 receptor agonists in type 2 diabetes: A systematic review and mixed-treatment comparison analysis. Diabetes Obes Metab. 2017 Apr;19(4):524-536. doi: 10.1111/dom.12849. Epub 2017 Feb 17." Investigational "Gastrointestinal Hormones; Glucagon-Like Peptides; Proglucagon; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; GLP-1 Agonists; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)CC1=CNC=N1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O D09723 Taspoglutide DB14028 Nordazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Experimental "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; GABA Agents; Benzodiazepinones; Central Nervous System Depressants; Psycholeptics; Amino Acids; Heterocyclic Compounds, Fused-Ring; GABA Modulators; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Amino Acids, Cyclic; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System" ClC1=CC=C2NC(=O)CN=C(C3=CC=CC=C3)C2=C1 D08283 Nordazepam CHEMBL523 3155 DB14034 Darglitazone BE0000215 PPARG P37231 PPARG_HUMAN agonist 1588563 "Hulin B, Clark DA, Goldstein SW, McDermott RE, Dambek PJ, Kappeler WH, Lamphere CH, Lewis DM, Rizzi JP: Novel thiazolidine-2,4-diones as potent euglycemic agents. J Med Chem. 1992 May 15;35(10):1853-64." Experimental Sulfur Compounds; Thiazoles CC1=C(CCC(=O)C2=CC=C(CC3SC(=O)NC3=O)C=C2)N=C(O1)C1=CC=CC=C1 Darglitazone CHEMBL55624 DB14039 Erenumab BE0009009 CALCRL Q16602 CALRL_HUMAN Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Sensory System Agents; Immunoglobulins; Serum Globulins; Calcitonin Gene-Related Peptide Receptor Antagonists; Central Nervous System Agents; Amino Acids, Peptides, and Proteins; Antimigraine Preparations; Immunoproteins; Nervous System; Proteins; Calcitonin Gene-Related Peptide (CGRP) Antagonists; Globulins; Blood Proteins; Peripheral Nervous System Agents; Analgesics" 22969 D10928 Erenumab 2045613 DB14040 Eptinezumab BE0002370 CALCB P10092 CALCB_HUMAN binder 25297013 "Dodick DW, Goadsby PJ, Silberstein SD, Lipton RB, Olesen J, Ashina M, Wilks K, Kudrow D, Kroll R, Kohrman B, Bargar R, Hirman J, Smith J: Safety and efficacy of ALD403, an antibody to calcitonin gene-related peptide, for the prevention of frequent episodic migraine: a randomised, double-blind, placebo-controlled, exploratory phase 2 trial. Lancet Neurol. 2014 Nov;13(11):1100-1107. doi: 10.1016/S1474-4422(14)70209-1. Epub 2014 Oct 5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Amino Acids, Peptides, and Proteins; Antimigraine Preparations; Calcitonin Gene-related Peptide Antagonist; Antibodies, Monoclonal, Humanized; Immunoproteins; Nervous System; Proteins; Calcitonin Gene-Related Peptide (CGRP) Antagonists; Globulins; Blood Proteins; Analgesics" 23551 Eptinezumab 2282660 DB14041 Fremanezumab BE0002370 CALCB P10092 CALCB_HUMAN binder Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Calcitonin Gene-Related Peptide Receptor Antagonists; Amino Acids, Peptides, and Proteins; Antimigraine Preparations; Immunoproteins; Antibodies, Monoclonal, Humanized; Nervous System; Proteins; Calcitonin Gene-Related Peptide (CGRP) Antagonists; Globulins; Blood Proteins; Analgesics" 23442 Fremanezumab 2056691 DB14042 Galcanezumab BE0002370 CALCB P10092 CALCB_HUMAN antibody 29089894 "Monteith D, Collins EC, Vandermeulen C, Van Hecken A, Raddad E, Scherer JC, Grayzel D, Schuetz TJ, de Hoon J: Safety, Tolerability, Pharmacokinetics, and Pharmacodynamics of the CGRP Binding Monoclonal Antibody LY2951742 (Galcanezumab) in Healthy Volunteers. Front Pharmacol. 2017 Oct 17;8:740. doi: 10.3389/fphar.2017.00740. eCollection 2017." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Sensory System Agents; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Calcitonin Gene-Related Peptide (CGRP) Antagonists; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Proteins; Immunoglobulins; Peripheral Nervous System Agents; Analgesics; Calcitonin Gene-Related Peptide Receptor Antagonists; Central Nervous System Agents; Antimigraine Preparations; Nervous System; Blood Proteins" 23343 Galcanezumab 2058846 DB14050 Cannabidivarin BE0009158 TRPV2 Q9Y5S1 TRPV2_HUMAN agonist 22970845; 25029033; 29290836; 29842819; 21175579 "Hill AJ, Mercier MS, Hill TD, Glyn SE, Jones NA, Yamasaki Y, Futamura T, Duncan M, Stott CG, Stephens GJ, Williams CM, Whalley BJ: Cannabidivarin is anticonvulsant in mouse and rat. Br J Pharmacol. 2012 Dec;167(8):1629-42. doi: 10.1111/j.1476-5381.2012.02207.x.@@Iannotti FA, Hill CL, Leo A, Alhusaini A, Soubrane C, Mazzarella E, Russo E, Whalley BJ, Di Marzo V, Stephens GJ: Nonpsychotropic plant cannabinoids, cannabidivarin (CBDV) and cannabidiol (CBD), activate and desensitize transient receptor potential vanilloid 1 (TRPV1) channels in vitro: potential for the treatment of neuronal hyperexcitability. ACS Chem Neurosci. 2014 Nov 19;5(11):1131-41. doi: 10.1021/cn5000524. Epub 2014 Jul 29.@@Capasso A: Do Cannabinoids Confer Neuroprotection Against Epilepsy? An Overview. Open Neurol J. 2017 Dec 18;11:61-73. doi: 10.2174/1874205X01711010061. eCollection 2017.@@Ruzic Zecevic D, Folic M, Tantoush Z, Radovanovic M, Babic G, Jankovic SM: Investigational cannabinoids in seizure disorders, what have we learned thus far? Expert Opin Investig Drugs. 2018 Jun 6:1-7. doi: 10.1080/13543784.2018.1482275.@@De Petrocellis L, Ligresti A, Moriello AS, Allara M, Bisogno T, Petrosino S, Stott CG, Di Marzo V: Effects of cannabinoids and cannabinoid-enriched Cannabis extracts on TRP channels and endocannabinoid metabolic enzymes. Br J Pharmacol. 2011 Aug;163(7):1479-94. doi: 10.1111/j.1476-5381.2010.01166.x." Investigational Central Nervous System Depressants; Anticonvulsants; Terpenes [H][C@]1(CCC(C)=C[C@H]1C1=C(O)C=C(CCC)C=C1O)C(C)=C Cannabidivarin CHEMBL2387742 DB14050 Cannabidivarin BE0001122 TRPA1 O75762 TRPA1_HUMAN agonist 25029033; 21175579 "Iannotti FA, Hill CL, Leo A, Alhusaini A, Soubrane C, Mazzarella E, Russo E, Whalley BJ, Di Marzo V, Stephens GJ: Nonpsychotropic plant cannabinoids, cannabidivarin (CBDV) and cannabidiol (CBD), activate and desensitize transient receptor potential vanilloid 1 (TRPV1) channels in vitro: potential for the treatment of neuronal hyperexcitability. ACS Chem Neurosci. 2014 Nov 19;5(11):1131-41. doi: 10.1021/cn5000524. Epub 2014 Jul 29.@@De Petrocellis L, Ligresti A, Moriello AS, Allara M, Bisogno T, Petrosino S, Stott CG, Di Marzo V: Effects of cannabinoids and cannabinoid-enriched Cannabis extracts on TRP channels and endocannabinoid metabolic enzymes. Br J Pharmacol. 2011 Aug;163(7):1479-94. doi: 10.1111/j.1476-5381.2010.01166.x." Investigational Central Nervous System Depressants; Anticonvulsants; Terpenes [H][C@]1(CCC(C)=C[C@H]1C1=C(O)C=C(CCC)C=C1O)C(C)=C Cannabidivarin CHEMBL2387742 DB14059 SC-236 BE0009554 NFKB2 Q04206 TF65_HUMAN inhibitor 12606945; 15784648 "Wong BC, Jiang Xh, Fan XM, Lin MC, Jiang SH, Lam SK, Kung HF: Suppression of RelA/p65 nuclear translocation independent of IkappaB-alpha degradation by cyclooxygenase-2 inhibitor in gastric cancer. Oncogene. 2003 Feb 27;22(8):1189-97. doi: 10.1038/sj.onc.1206234.@@Kim SJ, Jeong HJ, Choi IY, Lee KM, Park RK, Hong SH, Kim HM: Cyclooxygenase-2 inhibitor SC-236 [4-[5-(4-chlorophenyl)-3-(trifluoromethyl)-1-pyrazol-1-l] benzenesulfonamide] suppresses nuclear factor-kappaB activation and phosphorylation of p38 mitogen-activated protein kinase, extracellular signal-regulated kinase, and c-Jun N-terminal kinase in human mast cell line cells. J Pharmacol Exp Ther. 2005 Jul;314(1):27-34. doi: 10.1124/jpet.104.082792. Epub 2005 Mar 22." Experimental; Investigational "Sensory System Agents; Cyclooxygenase Inhibitors; Anti-Inflammatory Agents, Non-Steroidal; Sulfones; Enzyme Inhibitors; Agents causing hyperkalemia; Anti-Inflammatory Agents; Analgesics, Non-Narcotic; Nephrotoxic agents; Benzene Derivatives; Amides; Agents that produce hypertension; Antirheumatic Agents; Sulfur Compounds; Sulfonamides; Peripheral Nervous System Agents; Analgesics" NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(Cl)C=C1)C(F)(F)F CHEMBL282093 DB14061 Hycanthone BE0001032 ABCB1 P08183 MDR1_HUMAN inhibitor 21235729; 29145976 "Palmeira A, Rodrigues F, Sousa E, Pinto M, Vasconcelos MH, Fernandes MX: New uses for old drugs: pharmacophore-based screening for the discovery of P-glycoprotein inhibitors. Chem Biol Drug Des. 2011 Jul;78(1):57-72. doi: 10.1111/j.1747-0285.2011.01089.x. Epub 2011 Mar 29.@@Genovese I, Ilari A, Assaraf YG, Fazi F, Colotti G: Not only P-glycoprotein: Amplification of the ABCB1-containing chromosome region 7q21 confers multidrug resistance upon cancer cells by coordinated overexpression of an assortment of resistance-related proteins. Drug Resist Updat. 2017 May;32:23-46. doi: 10.1016/j.drup.2017.10.003. Epub 2017 Oct 16." Experimental "Antiplatyhelmintic Agents; P-glycoprotein inhibitors; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Sulfur Compounds; Anthelmintics; Thioxanthenes; Schistosomicides; Antiparasitic Agents; Xanthenes" CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(CO)C=C1 D00541 Hycanthone CHEMBL22077 DB14062 Concanamycin A BE0001032 ABCB1 P08183 MDR1_HUMAN inhibitor 8549739; 7772017 "Senior AE, al-Shawi MK, Urbatsch IL: The catalytic cycle of P-glycoprotein. FEBS Lett. 1995 Dec 27;377(3):285-9. doi: 10.1016/0014-5793(95)01345-8.@@Sharom FJ, Yu X, Chu JW, Doige CA: Characterization of the ATPase activity of P-glycoprotein from multidrug-resistant Chinese hamster ovary cells. Biochem J. 1995 Jun 1;308 ( Pt 2):381-90." Experimental Macrolides and analogues Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues "P-glycoprotein inhibitors; Anti-Infective Agents; Enzyme Inhibitors; Lactones; Polyketides; Proton-Translocating ATPases, antagonists & inhibitors" [H][C@@]1(OC(=O)\C(OC)=C\C(\C)=C\[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C\C(C)=C\C=C\[C@@H]1OC)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@H](C)[C@H](O1)\C=C\C CHEMBL1241239 DB14063 Dexverapamil BE0001032 ABCB1 P08183 MDR1_HUMAN inhibitor 16842217; 8820952; 7636539 "Nobili S, Landini I, Giglioni B, Mini E: Pharmacological strategies for overcoming multidrug resistance. Curr Drug Targets. 2006 Jul;7(7):861-79.@@Bates SE, Wilson WH, Fojo AT, Alvarez M, Zhan Z, Regis J, Robey R, Hose C, Monks A, Kang YK, Chabner B: Clinical reversal of multidrug resistance. Stem Cells. 1996 Jan;14(1):56-63. doi: 10.1002/stem.140056.@@Wilson WH, Jamis-Dow C, Bryant G, Balis FM, Klecker RW, Bates SE, Chabner BA, Steinberg SM, Kohler DR, Wittes RE: Phase I and pharmacokinetic study of the multidrug resistance modulator dexverapamil with EPOCH chemotherapy. J Clin Oncol. 1995 Aug;13(8):1985-94. doi: 10.1200/JCO.1995.13.8.1985." Experimental Antiarrhythmic agents; P-glycoprotein inhibitors; Cardiovascular Agents; QTc Prolonging Agents; Amines; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Phenethylamines; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Ethylamines; Cytochrome P-450 CYP3A4 Substrates; Membrane Transport Modulators COC1=CC=C(CCN(C)CCC[C@@](C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1OC CHEMBL197 DB14064 Emopamil BE0001032 ABCB1 P08183 MDR1_HUMAN inhibitor 25685543; 29145976; 15047504 "Abdallah HM, Al-Abd AM, El-Dine RS, El-Halawany AM: P-glycoprotein inhibitors of natural origin as potential tumor chemo-sensitizers: A review. J Adv Res. 2015 Jan;6(1):45-62. doi: 10.1016/j.jare.2014.11.008. Epub 2014 Dec 1.@@Genovese I, Ilari A, Assaraf YG, Fazi F, Colotti G: Not only P-glycoprotein: Amplification of the ABCB1-containing chromosome region 7q21 confers multidrug resistance upon cancer cells by coordinated overexpression of an assortment of resistance-related proteins. Drug Resist Updat. 2017 May;32:23-46. doi: 10.1016/j.drup.2017.10.003. Epub 2017 Oct 16.@@Sankatsing SU, Beijnen JH, Schinkel AH, Lange JM, Prins JM: P glycoprotein in human immunodeficiency virus type 1 infection and therapy. Antimicrob Agents Chemother. 2004 Apr;48(4):1073-81." Experimental Antiarrhythmic agents; P-glycoprotein inhibitors; Cardiovascular Agents; Amines; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Phenethylamines; Bradycardia-Causing Agents; Ethylamines; Cytochrome P-450 CYP3A4 Substrates; Membrane Transport Modulators CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C1=CC=CC=C1 Emopamil CHEMBL173809 DB14065 Lomerizine BE0001032 ABCB1 P08183 MDR1_HUMAN inhibitor 16539840; 11379779 "Ji BS, He L, Li XQ, Liu GQ: CJZ3, a lomerizine derivative, modulates P-glycoprotein function in rat brain microvessel endothelial cells. Acta Pharmacol Sin. 2006 Apr;27(4):414-8. doi: 10.1111/j.1745-7254.2006.00294.x.@@Shiraki N, Hamada A, Ohmura T, Tokunaga J, Oyama N, Nakano M: Increase in doxorubicin cytotoxicity by inhibition of P-glycoprotein activity with lomerizine. Biol Pharm Bull. 2001 May;24(5):555-7." Experimental Antiarrhythmic agents; P-glycoprotein inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; Membrane Transport Modulators COC1=CC=C(CN2CCN(CC2)C(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)C(OC)=C1OC Lomerizine CHEMBL29188 DB14066 Tetrandrine BE0001032 ABCB1 P08183 MDR1_HUMAN inhibitor 14666379; 28260091; 25233150 "Fu L, Liang Y, Deng L, Ding Y, Chen L, Ye Y, Yang X, Pan Q: Characterization of tetrandrine, a potent inhibitor of P-glycoprotein-mediated multidrug resistance. Cancer Chemother Pharmacol. 2004 Apr;53(4):349-56. doi: 10.1007/s00280-003-0742-5. Epub 2003 Dec 10.@@Lu Y, Li F, Xu T, Sun J: Tetrandrine prevents multidrug resistance in the osteosarcoma cell line, U-2OS, by preventing Pgp overexpression through the inhibition of NF-kappaB signaling. Int J Mol Med. 2017 Apr;39(4):993-1000. doi: 10.3892/ijmm.2017.2895. Epub 2017 Feb 17.@@Chen Y, Xiao X, Wang C, Jiang H, Hong Z, Xu G: Beneficial effect of tetrandrine on refractory epilepsy via suppressing P-glycoprotein. Int J Neurosci. 2015;125(9):703-10. doi: 10.3109/00207454.2014.966821. Epub 2014 Oct 22." Experimental "Lignans, neolignans and related compounds" "Organic compounds; Lignans, neolignans and related compounds" "Cytochrome P-450 CYP3A Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Immunologic Factors; Calcium Channel Blockers; Alkaloids; Antiprotozoals; Antimalarials; Membrane Transport Modulators; Drugs, Chinese Herbal; Antineoplastic Agents; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Calcium-Regulating Hormones and Agents; Antineoplastic Agents, Phytogenic; Isoquinolines; Cytochrome P-450 CYP3A4 Substrates; Antiparasitic Agents; Antiarrhythmic agents; Immunosuppressive Agents; Anti-Infective Agents; Plant Extracts; Bradycardia-Causing Agents" COC1=CC=C2C[C@@H]3N(C)CCC4=C3C(OC3=CC5=C(CCN(C)[C@H]5CC5=CC=C(OC1=C2)C=C5)C=C3OC)=C(OC)C(OC)=C4 Tetrandrine CHEMBL176045 DB14067 Dofequidar BE0002369 ABCB5 Q2M3G0 ABCB5_HUMAN inhibitor 26870817 "Katayama R, Sakashita T, Yanagitani N, Ninomiya H, Horiike A, Friboulet L, Gainor JF, Motoi N, Dobashi A, Sakata S, Tambo Y, Kitazono S, Sato S, Koike S, John Iafrate A, Mino-Kenudson M, Ishikawa Y, Shaw AT, Engelman JA, Takeuchi K, Nishio M, Fujita N: P-glycoprotein Mediates Ceritinib Resistance in Anaplastic Lymphoma Kinase-rearranged Non-small Cell Lung Cancer. EBioMedicine. 2015 Dec 12;3:54-66. doi: 10.1016/j.ebiom.2015.12.009. eCollection 2016 Jan." Experimental; Investigational "P-glycoprotein inhibitors; Antineoplastic Agents; Heterocyclic Compounds, Fused-Ring" OC(COC1=CC=CC2=C1C=CC=N2)CN1CCN(CC1)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 CHEMBL65067 DB14067 Dofequidar BE0001032 ABCB1 P08183 MDR1_HUMAN inhibitor 21039338; 27648351; 12938512 "Shukla S, Ohnuma S, Ambudkar SV: Improving cancer chemotherapy with modulators of ABC drug transporters. Curr Drug Targets. 2011 May;12(5):621-30.@@Chung FS, Santiago JS, Jesus MF, Trinidad CV, See MF: Disrupting P-glycoprotein function in clinical settings: what can we learn from the fundamental aspects of this transporter? Am J Cancer Res. 2016 Aug 1;6(8):1583-98. eCollection 2016.@@Chen Z, Takeshita A, Zou P, Liu Z, Kozaka M, You Y, Song S, Ohnishi K, Ohno R: Multidrug resistance P-glycoprotein function of bone marrow hematopoietic cells and the reversal agent effect. J Tongji Med Univ. 1999;19(4):260-3." Experimental; Investigational "P-glycoprotein inhibitors; Antineoplastic Agents; Heterocyclic Compounds, Fused-Ring" OC(COC1=CC=CC2=C1C=CC=N2)CN1CCN(CC1)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 CHEMBL65067 DB14068 Dexniguldipine BE0001032 ABCB1 P08183 MDR1_HUMAN inhibitor 7887974 "Hofmann J, Gekeler V, Ise W, Noller A, Mitterdorfer J, Hofer S, Utz I, Gotwald M, Boer R, Glossmann H, et al.: Mechanism of action of dexniguldipine-HCl (B8509-035), a new potent modulator of multidrug resistance. Biochem Pharmacol. 1995 Mar 1;49(5):603-9. doi: 10.1016/0006-2952(94)00479-6." Experimental Antiarrhythmic agents; P-glycoprotein inhibitors; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Antihypertensive Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; Membrane Transport Modulators; Antineoplastic Agents; Pyridines [H]N1C(C)=C([C@@H](C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCCCN2CCC(CC2)(C2=CC=CC=C2)C2=CC=CC=C2)=C1C)C(=O)OC CHEMBL2051956 DB14069 ONT-093 BE0001032 ABCB1 P08183 MDR1_HUMAN inhibitor 16012790; 10850444; 20216335 "Chi KN, Chia SK, Dixon R, Newman MJ, Wacher VJ, Sikic B, Gelmon KA: A phase I pharmacokinetic study of the P-glycoprotein inhibitor, ONT-093, in combination with paclitaxel in patients with advanced cancer. Invest New Drugs. 2005 Aug;23(4):311-5. doi: 10.1007/s10637-005-1439-x.@@Newman MJ, Rodarte JC, Benbatoul KD, Romano SJ, Zhang C, Krane S, Moran EJ, Uyeda RT, Dixon R, Guns ES, Mayer LD: Discovery and characterization of OC144-093, a novel inhibitor of P-glycoprotein-mediated multidrug resistance. Cancer Res. 2000 Jun 1;60(11):2964-72.@@Hodges LM, Markova SM, Chinn LW, Gow JM, Kroetz DL, Klein TE, Altman RB: Very important pharmacogene summary: ABCB1 (MDR1, P-glycoprotein). Pharmacogenet Genomics. 2011 Mar;21(3):152-61. doi: 10.1097/FPC.0b013e3283385a1c." Investigational "P-glycoprotein inhibitors; Drug Resistance, Multiple" [H]\C(COCC)=C(\[H])C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=C(NC(C)C)C=C1)C1=CC=C(NC(C)C)C=C1 CHEMBL313113 DB14070 HM-30181 BE0001032 ABCB1 P08183 MDR1_HUMAN inhibitor 24602137; 22284902; 25855895 "Kim TE, Lee H, Lim KS, Lee S, Yoon SH, Park KM, Han H, Shin SG, Jang IJ, Yu KS, Cho JY: Effects of HM30181, a P-glycoprotein inhibitor, on the pharmacokinetics and pharmacodynamics of loperamide in healthy volunteers. Br J Clin Pharmacol. 2014 Sep;78(3):556-64. doi: 10.1111/bcp.12368.@@Kim TE, Gu N, Yoon SH, Cho JY, Park KM, Shin SG, Jang IJ, Yu KS: Tolerability and pharmacokinetics of a new P-glycoprotein inhibitor, HM30181, in healthy Korean male volunteers: single- and multiple-dose randomized, placebo-controlled studies. Clin Ther. 2012 Feb;34(2):482-94. doi: 10.1016/j.clinthera.2012.01.003. Epub 2012 Jan 28.@@Kohler SC, Wiese M: HM30181 Derivatives as Novel Potent and Selective Inhibitors of the Breast Cancer Resistance Protein (BCRP/ABCG2). J Med Chem. 2015 May 14;58(9):3910-21. doi: 10.1021/acs.jmedchem.5b00188. Epub 2015 Apr 24." Experimental Aromatic anilides Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides "P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; ATP Binding Cassette Transporter, Subfamily B, Member 1, antagonists & inhibitors; Pyrans" [H]N(C(=O)C1=CC(=O)C2=CC=CC=C2O1)C1=CC(OC)=C(OC)C=C1C1=NN(N=N1)C1=CC=C(CCN2CCC3=CC(OC)=C(OC)C=C3C2)C=C1 DB14071 Desmethylsertraline BE0001032 ABCB1 P08183 MDR1_HUMAN inhibitor 21718296; 18239278; 18636148 "O'Brien FE, Dinan TG, Griffin BT, Cryan JF: Interactions between antidepressants and P-glycoprotein at the blood-brain barrier: clinical significance of in vitro and in vivo findings. Br J Pharmacol. 2012 Jan;165(2):289-312. doi: 10.1111/j.1476-5381.2011.01557.x.@@Wang JS, Zhu HJ, Gibson BB, Markowitz JS, Donovan JL, DeVane CL: Sertraline and its metabolite desmethylsertraline, but not bupropion or its three major metabolites, have high affinity for P-glycoprotein. Biol Pharm Bull. 2008 Feb;31(2):231-4.@@Gil-Ad I, Zolokov A, Lomnitski L, Taler M, Bar M, Luria D, Ram E, Weizman A: Evaluation of the potential anti-cancer activity of the antidepressant sertraline in human colon cancer cell lines and in colorectal cancer-xenografted mice. Int J Oncol. 2008 Aug;33(2):277-86." Experimental P-glycoprotein inhibitors; Amines; Agents that reduce seizure threshold; Naphthalenes [H][C@]1(N)CC[C@@]([H])(C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12 Desmethylsertraline CHEMBL40733 DB14072 Reversin 121 BE0001032 ABCB1 P08183 MDR1_HUMAN inhibitor 19039261; 22235146; 27886555 "Hoffmann K, Bekeredjian R, Schmidt J, Buchler MW, Marten A: Effects of the high-affinity Peptide reversin 121 on multidrug resistance proteins in experimental pancreatic cancer. Tumour Biol. 2008;29(6):351-8. doi: 10.1159/000178142. Epub 2008 Nov 27.@@Verbrugge SE, Assaraf YG, Dijkmans BA, Scheffer GL, Al M, den Uyl D, Oerlemans R, Chan ET, Kirk CJ, Peters GJ, van der Heijden JW, de Gruijl TD, Scheper RJ, Jansen G: Inactivating PSMB5 mutations and P-glycoprotein (multidrug resistance-associated protein/ATP-binding cassette B1) mediate resistance to proteasome inhibitors: ex vivo efficacy of (immuno)proteasome inhibitors in mononuclear blood cells from patients with rheumatoid arthritis. J Pharmacol Exp Ther. 2012 Apr;341(1):174-82. doi: 10.1124/jpet.111.187542. Epub 2012 Jan 10.@@Sivak L, Subr V, Tomala J, Rihova B, Strohalm J, Etrych T, Kovar M: Overcoming multidrug resistance via simultaneous delivery of cytostatic drug and P-glycoprotein inhibitor to cancer cells by HPMA copolymer conjugate. Biomaterials. 2017 Jan;115:65-80. doi: 10.1016/j.biomaterials.2016.11.013. Epub 2016 Nov 12." Experimental Peptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "P-glycoprotein inhibitors; Peptides; Amino Acids, Peptides, and Proteins; Drug Resistance, Multiple" CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C CHEMBL221390 DB14109 alpha-Arbutin BE0000876 GAA P10253 LYAG_HUMAN substrate 32672281 "Wang M, Wang M, Zhang F, Su X: A ratiometric fluorescent biosensor for the sensitive determination of alpha-glucosidase activity and acarbose based on N-doped carbon dots. Analyst. 2020 Aug 24;145(17):5808-5815. doi: 10.1039/d0an01065k." Approved; Experimental OC[C@H]1O[C@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O CHEMBL226495 1363429 DB14123 Menthol BE0001186 TRPM8 Q7Z2W7 TRPM8_HUMAN agonist 34015169 "Liu J, Liu L, Zhao M, Ding N, Ge N, Daugherty SL, Beckel JM, Wang S, Zhang X: Activation of TRPM8 channel inhibits contraction of the isolated human ureter. Neurourol Urodyn. 2021 Aug;40(6):1450-1459. doi: 10.1002/nau.24689. Epub 2021 May 20." Approved Fatty Alcohols; Cycloparaffins; Hexanols; Antipruritics; Alcohols; Lipids; Dermatologicals; Cyclohexanols; Cyclohexanes; Cyclohexane Monoterpenes; Monoterpenes; Terpenes CC(C)C1CCC(C)CC1O Menthol CHEMBL256087 1430390 DB14132 8-chlorotheophylline BE0000924 ADORA2A P29274 AA2AR_HUMAN antagonist 11835984; 3133696 "Halpert AG, Olmstead MC, Beninger RJ: Mechanisms and abuse liability of the anti-histamine dimenhydrinate. Neurosci Biobehav Rev. 2002 Jan;26(1):61-7.@@Spealman RD: Psychomotor stimulant effects of methylxanthines in squirrel monkeys: relation to adenosine antagonism. Psychopharmacology (Berl). 1988;95(1):19-24." Experimental "Heterocyclic Compounds, Fused-Ring; Purines; Cytochrome P-450 Substrates; Purinones; Alkaloids; Cytochrome P-450 CYP1A2 Substrates; Xanthine derivatives" CN1C2=C(NC(Cl)=N2)C(=O)N(C)C1=O 8-Chlorotheophylline CHEMBL88611 236872 DB14146 Loxicodegol BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 28778859 "Miyazaki T, Choi IY, Rubas W, Anand NK, Ali C, Evans J, Gursahani H, Hennessy M, Kim G, McWeeney D, Pfeiffer J, Quach P, Gauvin D, Riley TA, Riggs JA, Gogas K, Zalevsky J, Doberstein SK: NKTR-181: A Novel Mu-Opioid Analgesic with Inherently Low Abuse Potential. J Pharmacol Exp Ther. 2017 Oct;363(1):104-113. doi: 10.1124/jpet.117.243030. Epub 2017 Aug 4." Investigational "Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Alkaloids; Opiate Alkaloids" [H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CC[C@]2([H])OCCOCCOCCOCCOCCOCCOC DB14146 Loxicodegol BE0000420 OPRD1 P41143 OPRD_HUMAN agonist 28778859 "Miyazaki T, Choi IY, Rubas W, Anand NK, Ali C, Evans J, Gursahani H, Hennessy M, Kim G, McWeeney D, Pfeiffer J, Quach P, Gauvin D, Riley TA, Riggs JA, Gogas K, Zalevsky J, Doberstein SK: NKTR-181: A Novel Mu-Opioid Analgesic with Inherently Low Abuse Potential. J Pharmacol Exp Ther. 2017 Oct;363(1):104-113. doi: 10.1124/jpet.117.243030. Epub 2017 Aug 4." Investigational "Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Alkaloids; Opiate Alkaloids" [H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CC[C@]2([H])OCCOCCOCCOCCOCCOCCOC DB14185 Aripiprazole lauroxil BE0000476 HTR1E P28566 5HT1E_HUMAN 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates" CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12 D10364 PA166161216 Aripiprazole_lauroxil CHEMBL2219425 DB14185 Aripiprazole lauroxil BE0000581 DRD3 P35462 DRD3_HUMAN 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates" CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12 D10364 PA166161216 Aripiprazole_lauroxil CHEMBL2219425 DB14185 Aripiprazole lauroxil BE0000533 HTR2C P28335 5HT2C_HUMAN 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates" CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12 D10364 PA166161216 Aripiprazole_lauroxil CHEMBL2219425 DB14185 Aripiprazole lauroxil BE0000650 HTR7 P34969 5HT7R_HUMAN 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates" CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12 D10364 PA166161216 Aripiprazole_lauroxil CHEMBL2219425 DB14185 Aripiprazole lauroxil BE0000442 HRH1 P35367 HRH1_HUMAN antagonist 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates" CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12 D10364 PA166161216 Aripiprazole_lauroxil CHEMBL2219425 DB14185 Aripiprazole lauroxil BE0000560 CHRM2 P08172 ACM2_HUMAN 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates" CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12 D10364 PA166161216 Aripiprazole_lauroxil CHEMBL2219425 DB14185 Aripiprazole lauroxil BE0000045 CHRM3 P20309 ACM3_HUMAN 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates" CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12 D10364 PA166161216 Aripiprazole_lauroxil CHEMBL2219425 DB14185 Aripiprazole lauroxil BE0000247 CHRM5 P08912 ACM5_HUMAN 17848919 Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11. Approved; Investigational Phenylpiperazines Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines "Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates" CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12 D10364 PA166161216 Aripiprazole_lauroxil CHEMBL2219425 DB14481 Calcium phosphate dihydrate BE0002109 CALR P27797 CALR_HUMAN Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic" O.O.[Ca++].OP([O-])([O-])=O 1310463 DB14481 Calcium phosphate dihydrate BE0005812 PDCD6 O75340 PDCD6_HUMAN Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic" O.O.[Ca++].OP([O-])([O-])=O 1310463 DB14481 Calcium phosphate dihydrate BE0008692 SRI P30626 SORCN_HUMAN Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic" O.O.[Ca++].OP([O-])([O-])=O 1310463 DB14481 Calcium phosphate dihydrate BE0008693 CHP1 Q99653 CHP1_HUMAN Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic" O.O.[Ca++].OP([O-])([O-])=O 1310463 DB14481 Calcium phosphate dihydrate BE0001011 CANX P27824 CALX_HUMAN Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic" O.O.[Ca++].OP([O-])([O-])=O 1310463 DB14481 Calcium phosphate dihydrate BE0008694 FBN2 P35556 FBN2_HUMAN Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic" O.O.[Ca++].OP([O-])([O-])=O 1310463 DB14481 Calcium phosphate dihydrate BE0001177 S100B P04271 S100B_HUMAN Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic" O.O.[Ca++].OP([O-])([O-])=O 1310463 DB14481 Calcium phosphate dihydrate BE0008695 CASQ2 O14958 CASQ2_HUMAN Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic" O.O.[Ca++].OP([O-])([O-])=O 1310463 DB14481 Calcium phosphate dihydrate BE0000885 S100A13 Q99584 S10AD_HUMAN Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic" O.O.[Ca++].OP([O-])([O-])=O 1310463 DB14481 Calcium phosphate dihydrate BE0008699 CASQ1 P31415 CASQ1_HUMAN Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic" O.O.[Ca++].OP([O-])([O-])=O 1310463 DB14481 Calcium phosphate dihydrate BE0008700 NUCB1 Q02818 NUCB1_HUMAN Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic" O.O.[Ca++].OP([O-])([O-])=O 1310463 DB14481 Calcium phosphate dihydrate BE0008702 FBN3 Q75N90 FBN3_HUMAN Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic" O.O.[Ca++].OP([O-])([O-])=O 1310463 DB14481 Calcium phosphate dihydrate BE0008704 CADPS Q9ULU8 CAPS1_HUMAN Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic" O.O.[Ca++].OP([O-])([O-])=O 1310463 DB14481 Calcium phosphate dihydrate BE0008706 CALM3 P0DP25 CALM3_HUMAN Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic" O.O.[Ca++].OP([O-])([O-])=O 1310463 DB14481 Calcium phosphate dihydrate BE0008708 CALB2 P22676 CALB2_HUMAN Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic" O.O.[Ca++].OP([O-])([O-])=O 1310463 DB14481 Calcium phosphate dihydrate BE0008710 CADPS2 Q86UW7 CAPS2_HUMAN Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic" O.O.[Ca++].OP([O-])([O-])=O 1310463 DB14481 Calcium phosphate dihydrate BE0005274 NRXN1 Q9ULB1 NRX1A_HUMAN Approved Alkaline earth metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates "Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic" O.O.[Ca++].OP([O-])([O-])=O 1310463 DB14487 Zinc acetate BE0004528 EEF1A1 P68104 EF1A1_HUMAN 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0002467 P4HB P07237 PDIA1_HUMAN 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0008980 PDIA3 P30101 PDIA3_HUMAN 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0005844 PRDX1 Q06830 PRDX1_HUMAN 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0004590 PSPH P78330 SERB_HUMAN 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0003844 TPI1 P60174 TPIS_HUMAN 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0004542 TUFM P49411 EFTU_HUMAN 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0000123 ESR1 P03372 ESR1_HUMAN 14640689 "Payne JC, Rous BW, Tenderholt AL, Godwin HA: Spectroscopic determination of the binding affinity of zinc to the DNA-binding domains of nuclear hormone receptors. Biochemistry. 2003 Dec 9;42(48):14214-24." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0005815 CCS O14618 CCS_HUMAN 15736924 "Stasser JP, Eisses JF, Barry AN, Kaplan JH, Blackburn NJ: Cysteine-to-serine mutants of the human copper chaperone for superoxide dismutase reveal a copper cluster at a domain III dimer interface. Biochemistry. 2005 Mar 8;44(9):3143-52." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0002365 HDAC1 Q13547 HDAC1_HUMAN 16439135 "Bhuiyan MP, Kato T, Okauchi T, Nishino N, Maeda S, Nishino TG, Yoshida M: Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Bioorg Med Chem. 2006 May 15;14(10):3438-46. Epub 2006 Jan 24." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0003523 HDAC4 P56524 HDAC4_HUMAN 16439135 "Bhuiyan MP, Kato T, Okauchi T, Nishino N, Maeda S, Nishino TG, Yoshida M: Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Bioorg Med Chem. 2006 May 15;14(10):3438-46. Epub 2006 Jan 24." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0002390 SOD1 P00441 SODC_HUMAN 16583143 "Krishnan U, Son M, Rajendran B, Elliott JL: Novel mutations that enhance or repress the aggregation potential of SOD1. Mol Cell Biochem. 2006 Jul;287(1-2):201-11. Epub 2006 Apr 1." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0001608 HDAC8 Q9BY41 HDAC8_HUMAN 16681389 "Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0005834 SIVA1 O15304 SIVA_HUMAN 16683188 "Nestler M, Martin U, Hortschansky P, Saluz HP, Henke A, Munder T: The zinc containing pro-apoptotic protein siva interacts with the peroxisomal membrane protein pmp22. Mol Cell Biochem. 2006 Jul;287(1-2):147-55. Epub 2006 May 9." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0000433 GLRA1 P23415 GLRA1_HUMAN 16842826 "Chen Z, Dillon GH, Huang R: Identification of residues critical for Cu2+-mediated inhibition of glycine alpha1 receptors. Neuropharmacology. 2006 Sep;51(4):701-8. Epub 2006 Jul 12." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0005835 UTRN P46939 UTRO_HUMAN 17009962 "Hnia K, Zouiten D, Cantel S, Chazalette D, Hugon G, Fehrentz JA, Masmoudi A, Diment A, Bramham J, Mornet D, Winder SJ: ZZ domain of dystrophin and utrophin: topology and mapping of a beta-dystroglycan interaction site. Biochem J. 2007 Feb 1;401(3):667-77." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0008994 TP73 O15350 P73_HUMAN 17170001 "Lokshin M, Li Y, Gaiddon C, Prives C: p53 and p73 display common and distinct requirements for sequence specific binding to DNA. Nucleic Acids Res. 2007;35(1):340-52. Epub 2006 Dec 14." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0003380 TP53 P04637 P53_HUMAN 17327663 "Wang Y, Rosengarth A, Luecke H: Structure of the human p53 core domain in the absence of DNA. Acta Crystallogr D Biol Crystallogr. 2007 Mar;63(Pt 3):276-81. Epub 2007 Feb 21." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0005812 PDCD6 O75340 PDCD6_HUMAN 18997320 "Suzuki H, Kawasaki M, Kakiuchi T, Shibata H, Wakatsuki S, Maki M: Crystallization and X-ray diffraction analysis of N-terminally truncated human ALG-2. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2008 Nov 1;64(Pt 11):974-7. doi: 10.1107/S1744309108030297. Epub 2008 Oct 31." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0009047 A1BG P04217 A1BG_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0000910 A2M P01023 A2MG_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0009048 AHSG P02765 FETUA_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0009069 APOL1 O14791 APOL1_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0001529 C1S P09871 C1S_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0003455 C3 P01024 CO3_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0004686 C4B P0C0L5 CO4B_HUMAN 14522582 "Blom AM, Kask L, Ramesh B, Hillarp A: Effects of zinc on factor I cofactor activity of C4b-binding protein and factor H. Arch Biochem Biophys. 2003 Oct 15;418(2):108-18." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0000855 C5 P01031 CO5_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0009071 BRCC3 P46736 BRCC3_HUMAN 26344097 "Zeqiraj E, Tian L, Piggott CA, Pillon MC, Duffy NM, Ceccarelli DF, Keszei AF, Lorenzen K, Kurinov I, Orlicky S, Gish GD, Heck AJ, Guarne A, Greenberg RA, Sicheri F: Higher-Order Assembly of BRCC36-KIAA0157 Is Required for DUB Activity and Biological Function. Mol Cell. 2015 Sep 17;59(6):970-83. doi: 10.1016/j.molcel.2015.07.028. Epub 2015 Sep 3." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0009053 CFH P08603 CFAH_HUMAN 21396937 "Nan R, Farabella I, Schumacher FF, Miller A, Gor J, Martin AC, Jones DT, Lengyel I, Perkins SJ: Zinc binding to the Tyr402 and His402 allotypes of complement factor H: possible implications for age-related macular degeneration. J Mol Biol. 2011 May 13;408(4):714-35. doi: 10.1016/j.jmb.2011.03.006. Epub 2011 Mar 17." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0009054 CFI P05156 CFAI_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0001140 CP P00450 CERU_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0003504 CPN2 P22792 CPN2_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0009075 F13B P05160 F13B_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0001180 FN1 P02751 FINC_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0004161 GSN P06396 GELS_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0009081 ITIH3 Q06033 ITIH3_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0002440 KLKB1 P03952 KLKB1_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0009061 KRT1 P04264 K2C1_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0009062 KRT10 P13645 K1C10_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0004613 PGLYRP2 Q96PD5 PGRP2_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0000930 PON1 P27169 PON1_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0005533 SEPP1 P49908 SEPP1_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0000775 SERPIND1 P05546 HEP2_HUMAN 12706831 "Eckert R, Ragg H: Zinc ions promote the interaction between heparin and heparin cofactor II. FEBS Lett. 2003 Apr 24;541(1-3):121-5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0000685 SHBG P04278 SHBG_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0000337 TTR P02766 TTHY_HUMAN 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0009093 APLP2 Q06481 APLP2_HUMAN 24855651 "Mayer MC, Kaden D, Schauenburg L, Hancock MA, Voigt P, Roeser D, Barucker C, Than ME, Schaefer M, Multhaup G: Novel zinc-binding site in the E2 domain regulates amyloid precursor-like protein 1 (APLP1) oligomerization. J Biol Chem. 2014 Jul 4;289(27):19019-30. doi: 10.1074/jbc.M114.570382. Epub 2014 May 22." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0003392 APP P05067 A4_HUMAN 24855651 "Mayer MC, Kaden D, Schauenburg L, Hancock MA, Voigt P, Roeser D, Barucker C, Than ME, Schaefer M, Multhaup G: Novel zinc-binding site in the E2 domain regulates amyloid precursor-like protein 1 (APLP1) oligomerization. J Biol Chem. 2014 Jul 4;289(27):19019-30. doi: 10.1074/jbc.M114.570382. Epub 2014 May 22." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14487 Zinc acetate BE0001717 PARP1 P09874 PARP1_HUMAN 25549802 "Bossak K, Goch W, Piatek K, Fraczyk T, Poznanski J, Bonna A, Keil C, Hartwig A, Bal W: Unusual Zn(II) Affinities of Zinc Fingers of Poly(ADP-ribose)Polymerase 1 (PARP-1) Nuclear Protein. Chem Res Toxicol. 2015 Feb 16;28(2):191-201." Approved; Investigational "Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations" [Zn++].CC([O-])=O.CC([O-])=O 331 Zinc_acetate CHEMBL1200928 1299637 DB14488 Ferrous gluconate BE0008725 TFRC P02786 TFR1_HUMAN 16564538 "Hemadi M, Ha-Duong NT, El Hage Chahine JM: The mechanism of iron release from the transferrin-receptor 1 adduct. J Mol Biol. 2006 May 12;358(4):1125-36. Epub 2006 Mar 13." Approved "Minerals; Polyvalent cation containing laxatives, antacids, oral supplements; Antianemia Drugs; Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Anemia, Iron-Deficiency; Iron Bivalent, Oral Preparations" [Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O 246 Iron(II)_gluconate DB14488 Ferrous gluconate BE0002217 EGLN1 Q9GZT9 EGLN1_HUMAN 16649251 "Davidson TL, Chen H, Di Toro DM, D'Angelo G, Costa M: Soluble nickel inhibits HIF-prolyl-hydroxylases creating persistent hypoxic signaling in A549 cells. Mol Carcinog. 2006 Jul;45(7):479-89." Approved "Minerals; Polyvalent cation containing laxatives, antacids, oral supplements; Antianemia Drugs; Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Anemia, Iron-Deficiency; Iron Bivalent, Oral Preparations" [Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O 246 Iron(II)_gluconate DB14488 Ferrous gluconate BE0001608 HDAC8 Q9BY41 HDAC8_HUMAN 16681389 "Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8." Approved "Minerals; Polyvalent cation containing laxatives, antacids, oral supplements; Antianemia Drugs; Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Anemia, Iron-Deficiency; Iron Bivalent, Oral Preparations" [Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O 246 Iron(II)_gluconate DB14488 Ferrous gluconate BE0005817 NEIL2 Q969S2 NEIL2_HUMAN 20622253 "Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9." Approved "Minerals; Polyvalent cation containing laxatives, antacids, oral supplements; Antianemia Drugs; Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Anemia, Iron-Deficiency; Iron Bivalent, Oral Preparations" [Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O 246 Iron(II)_gluconate DB14488 Ferrous gluconate BE0000113 POLB P06746 DPOLB_HUMAN 20622253 "Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9." Approved "Minerals; Polyvalent cation containing laxatives, antacids, oral supplements; Antianemia Drugs; Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Anemia, Iron-Deficiency; Iron Bivalent, Oral Preparations" [Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O 246 Iron(II)_gluconate DB14488 Ferrous gluconate BE0001140 CP P00450 CERU_HUMAN 21049900 "Ha-Duong NT, Eid C, Hemadi M, El Hage Chahine JM: In vitro interaction between ceruloplasmin and human serum transferrin. Biochemistry. 2010 Dec 7;49(48):10261-3. doi: 10.1021/bi1014503. Epub 2010 Nov 9." Approved "Minerals; Polyvalent cation containing laxatives, antacids, oral supplements; Antianemia Drugs; Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Anemia, Iron-Deficiency; Iron Bivalent, Oral Preparations" [Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O 246 Iron(II)_gluconate DB14489 Ferrous succinate BE0008725 TFRC P02786 TFR1_HUMAN 16564538 "Hemadi M, Ha-Duong NT, El Hage Chahine JM: The mechanism of iron release from the transferrin-receptor 1 adduct. J Mol Biol. 2006 May 12;358(4):1125-36. Epub 2006 Mar 13." Approved "Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Iron Bivalent, Oral Preparations" [Fe++].[O-]C(=O)CCC([O-])=O Iron_supplement DB14489 Ferrous succinate BE0002217 EGLN1 Q9GZT9 EGLN1_HUMAN 16649251 "Davidson TL, Chen H, Di Toro DM, D'Angelo G, Costa M: Soluble nickel inhibits HIF-prolyl-hydroxylases creating persistent hypoxic signaling in A549 cells. Mol Carcinog. 2006 Jul;45(7):479-89." Approved "Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Iron Bivalent, Oral Preparations" [Fe++].[O-]C(=O)CCC([O-])=O Iron_supplement DB14489 Ferrous succinate BE0001608 HDAC8 Q9BY41 HDAC8_HUMAN 16681389 "Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8." Approved "Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Iron Bivalent, Oral Preparations" [Fe++].[O-]C(=O)CCC([O-])=O Iron_supplement DB14489 Ferrous succinate BE0005817 NEIL2 Q969S2 NEIL2_HUMAN 20622253 "Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9." Approved "Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Iron Bivalent, Oral Preparations" [Fe++].[O-]C(=O)CCC([O-])=O Iron_supplement DB14489 Ferrous succinate BE0000113 POLB P06746 DPOLB_HUMAN 20622253 "Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9." Approved "Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Iron Bivalent, Oral Preparations" [Fe++].[O-]C(=O)CCC([O-])=O Iron_supplement DB14489 Ferrous succinate BE0001140 CP P00450 CERU_HUMAN 21049900 "Ha-Duong NT, Eid C, Hemadi M, El Hage Chahine JM: In vitro interaction between ceruloplasmin and human serum transferrin. Biochemistry. 2010 Dec 7;49(48):10261-3. doi: 10.1021/bi1014503. Epub 2010 Nov 9." Approved "Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Iron Bivalent, Oral Preparations" [Fe++].[O-]C(=O)CCC([O-])=O Iron_supplement DB14490 Ferrous ascorbate BE0008725 TFRC P02786 TFR1_HUMAN 16564538 "Hemadi M, Ha-Duong NT, El Hage Chahine JM: The mechanism of iron release from the transferrin-receptor 1 adduct. J Mol Biol. 2006 May 12;358(4):1125-36. Epub 2006 Mar 13." Approved "Antioxidants; Carbohydrates; Protective Agents; Urinary Acidifying Agents; Polyvalent cation containing laxatives, antacids, oral supplements; Hydroxy Acids; Biological Factors; Diet, Food, and Nutrition; Blood and Blood Forming Organs; Food; Acids, Acyclic; Micronutrients; Sugar Acids; Iron Bivalent, Oral Preparations; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Antianemic Preparations; Iron Preparations" [Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-] 309 DB14490 Ferrous ascorbate BE0002217 EGLN1 Q9GZT9 EGLN1_HUMAN 16649251 "Davidson TL, Chen H, Di Toro DM, D'Angelo G, Costa M: Soluble nickel inhibits HIF-prolyl-hydroxylases creating persistent hypoxic signaling in A549 cells. Mol Carcinog. 2006 Jul;45(7):479-89." Approved "Antioxidants; Carbohydrates; Protective Agents; Urinary Acidifying Agents; Polyvalent cation containing laxatives, antacids, oral supplements; Hydroxy Acids; Biological Factors; Diet, Food, and Nutrition; Blood and Blood Forming Organs; Food; Acids, Acyclic; Micronutrients; Sugar Acids; Iron Bivalent, Oral Preparations; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Antianemic Preparations; Iron Preparations" [Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-] 309 DB14490 Ferrous ascorbate BE0001608 HDAC8 Q9BY41 HDAC8_HUMAN 16681389 "Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8." Approved "Antioxidants; Carbohydrates; Protective Agents; Urinary Acidifying Agents; Polyvalent cation containing laxatives, antacids, oral supplements; Hydroxy Acids; Biological Factors; Diet, Food, and Nutrition; Blood and Blood Forming Organs; Food; Acids, Acyclic; Micronutrients; Sugar Acids; Iron Bivalent, Oral Preparations; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Antianemic Preparations; Iron Preparations" [Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-] 309 DB14490 Ferrous ascorbate BE0005817 NEIL2 Q969S2 NEIL2_HUMAN 20622253 "Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9." Approved "Antioxidants; Carbohydrates; Protective Agents; Urinary Acidifying Agents; Polyvalent cation containing laxatives, antacids, oral supplements; Hydroxy Acids; Biological Factors; Diet, Food, and Nutrition; Blood and Blood Forming Organs; Food; Acids, Acyclic; Micronutrients; Sugar Acids; Iron Bivalent, Oral Preparations; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Antianemic Preparations; Iron Preparations" [Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-] 309 DB14490 Ferrous ascorbate BE0000113 POLB P06746 DPOLB_HUMAN 20622253 "Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9." Approved "Antioxidants; Carbohydrates; Protective Agents; Urinary Acidifying Agents; Polyvalent cation containing laxatives, antacids, oral supplements; Hydroxy Acids; Biological Factors; Diet, Food, and Nutrition; Blood and Blood Forming Organs; Food; Acids, Acyclic; Micronutrients; Sugar Acids; Iron Bivalent, Oral Preparations; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Antianemic Preparations; Iron Preparations" [Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-] 309 DB14490 Ferrous ascorbate BE0001140 CP P00450 CERU_HUMAN 21049900 "Ha-Duong NT, Eid C, Hemadi M, El Hage Chahine JM: In vitro interaction between ceruloplasmin and human serum transferrin. Biochemistry. 2010 Dec 7;49(48):10261-3. doi: 10.1021/bi1014503. Epub 2010 Nov 9." Approved "Antioxidants; Carbohydrates; Protective Agents; Urinary Acidifying Agents; Polyvalent cation containing laxatives, antacids, oral supplements; Hydroxy Acids; Biological Factors; Diet, Food, and Nutrition; Blood and Blood Forming Organs; Food; Acids, Acyclic; Micronutrients; Sugar Acids; Iron Bivalent, Oral Preparations; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Antianemic Preparations; Iron Preparations" [Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-] 309 DB14491 Ferrous fumarate BE0008725 TFRC P02786 TFR1_HUMAN 16564538 "Hemadi M, Ha-Duong NT, El Hage Chahine JM: The mechanism of iron release from the transferrin-receptor 1 adduct. J Mol Biol. 2006 May 12;358(4):1125-36. Epub 2006 Mar 13." Approved Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Minerals; Physiological Phenomena; Antianemic Preparations; Diet, Food, and Nutrition; Elements; Blood and Blood Forming Organs; Iron Compounds; Food; Micronutrients; Iron Preparations; Trace Elements; Iron Bivalent, Oral Preparations" [Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O 309 Iron(II)_fumarate CHEMBL1200640 DB14491 Ferrous fumarate BE0002217 EGLN1 Q9GZT9 EGLN1_HUMAN 16649251 "Davidson TL, Chen H, Di Toro DM, D'Angelo G, Costa M: Soluble nickel inhibits HIF-prolyl-hydroxylases creating persistent hypoxic signaling in A549 cells. Mol Carcinog. 2006 Jul;45(7):479-89." Approved Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Minerals; Physiological Phenomena; Antianemic Preparations; Diet, Food, and Nutrition; Elements; Blood and Blood Forming Organs; Iron Compounds; Food; Micronutrients; Iron Preparations; Trace Elements; Iron Bivalent, Oral Preparations" [Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O 309 Iron(II)_fumarate CHEMBL1200640 DB14491 Ferrous fumarate BE0001608 HDAC8 Q9BY41 HDAC8_HUMAN 16681389 "Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8." Approved Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Minerals; Physiological Phenomena; Antianemic Preparations; Diet, Food, and Nutrition; Elements; Blood and Blood Forming Organs; Iron Compounds; Food; Micronutrients; Iron Preparations; Trace Elements; Iron Bivalent, Oral Preparations" [Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O 309 Iron(II)_fumarate CHEMBL1200640 DB14491 Ferrous fumarate BE0005817 NEIL2 Q969S2 NEIL2_HUMAN 20622253 "Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9." Approved Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Minerals; Physiological Phenomena; Antianemic Preparations; Diet, Food, and Nutrition; Elements; Blood and Blood Forming Organs; Iron Compounds; Food; Micronutrients; Iron Preparations; Trace Elements; Iron Bivalent, Oral Preparations" [Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O 309 Iron(II)_fumarate CHEMBL1200640 DB14491 Ferrous fumarate BE0000113 POLB P06746 DPOLB_HUMAN 20622253 "Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9." Approved Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Minerals; Physiological Phenomena; Antianemic Preparations; Diet, Food, and Nutrition; Elements; Blood and Blood Forming Organs; Iron Compounds; Food; Micronutrients; Iron Preparations; Trace Elements; Iron Bivalent, Oral Preparations" [Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O 309 Iron(II)_fumarate CHEMBL1200640 DB14491 Ferrous fumarate BE0001140 CP P00450 CERU_HUMAN 21049900 "Ha-Duong NT, Eid C, Hemadi M, El Hage Chahine JM: In vitro interaction between ceruloplasmin and human serum transferrin. Biochemistry. 2010 Dec 7;49(48):10261-3. doi: 10.1021/bi1014503. Epub 2010 Nov 9." Approved Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Minerals; Physiological Phenomena; Antianemic Preparations; Diet, Food, and Nutrition; Elements; Blood and Blood Forming Organs; Iron Compounds; Food; Micronutrients; Iron Preparations; Trace Elements; Iron Bivalent, Oral Preparations" [Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O 309 Iron(II)_fumarate CHEMBL1200640 DB14498 Potassium acetate BE0000732 ATP1A1 P05023 AT1A1_HUMAN 17334838; 17347782; 17366541; 17369284; 17444965 "Silva E, Gomes P, Soares-da-Silva P: Overexpression of Na(+)/K (+)-ATPase parallels the increase in sodium transport and potassium recycling in an in vitro model of proximal tubule cellular ageing. J Membr Biol. 2006;212(3):163-75. Epub 2007 Feb 28.@@Li C, Geering K, Horisberger JD: The third sodium binding site of Na,K-ATPase is functionally linked to acidic pH-activated inward current. J Membr Biol. 2006;213(1):1-9. Epub 2007 Mar 8.@@Stanely Mainzen Prince P, Karthick M: Preventive effect of rutin on lipids, lipoproteins, and ATPases in normal and isoproterenol-induced myocardial infarction in rats. J Biochem Mol Toxicol. 2007;21(1):1-6.@@Simon WA, Herrmann M, Klein T, Shin JM, Huber R, Senn-Bilfinger J, Postius S: Soraprazan: setting new standards in inhibition of gastric acid secretion. J Pharmacol Exp Ther. 2007 Jun;321(3):866-74. Epub 2007 Mar 16.@@Iannello S, Milazzo P, Belfiore F: Animal and human tissue Na,K-ATPase in normal and insulin-resistant states: regulation, behaviour and interpretative hypothesis on NEFA effects. Obes Rev. 2007 May;8(3):231-51." Approved; Investigational Acetate salts Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives "Potassium Salt; Blood Substitutes and Perfusion Solutions; Replacement Preparations; I.V. Solution Additives; Agents causing hyperkalemia; Blood and Blood Forming Organs; Acids, Acyclic; Drugs that are Mainly Renally Excreted; Electrolyte Solutions; Acetates; Potassium Compounds" [K+].CC([O-])=O 1076 Potassium_acetate CHEMBL1201058 DB14499 Potassium sulfate BE0000732 ATP1A1 P05023 AT1A1_HUMAN 17334838; 17347782; 17366541; 17369284; 17444965 "Silva E, Gomes P, Soares-da-Silva P: Overexpression of Na(+)/K (+)-ATPase parallels the increase in sodium transport and potassium recycling in an in vitro model of proximal tubule cellular ageing. J Membr Biol. 2006;212(3):163-75. Epub 2007 Feb 28.@@Li C, Geering K, Horisberger JD: The third sodium binding site of Na,K-ATPase is functionally linked to acidic pH-activated inward current. J Membr Biol. 2006;213(1):1-9. Epub 2007 Mar 8.@@Stanely Mainzen Prince P, Karthick M: Preventive effect of rutin on lipids, lipoproteins, and ATPases in normal and isoproterenol-induced myocardial infarction in rats. J Biochem Mol Toxicol. 2007;21(1):1-6.@@Simon WA, Herrmann M, Klein T, Shin JM, Huber R, Senn-Bilfinger J, Postius S: Soraprazan: setting new standards in inhibition of gastric acid secretion. J Pharmacol Exp Ther. 2007 Jun;321(3):866-74. Epub 2007 Mar 16.@@Iannello S, Milazzo P, Belfiore F: Animal and human tissue Na,K-ATPase in normal and insulin-resistant states: regulation, behaviour and interpretative hypothesis on NEFA effects. Obes Rev. 2007 May;8(3):231-51." Approved; Investigational Alkali metal sulfates Inorganic compounds; Mixed metal/non-metal compounds; Alkali metal oxoanionic compounds; Alkali metal sulfates Potassium Salt; Anions; Ions; Osmotic Laxatives; Laxatives; Sulfur Compounds; Drugs that are Mainly Renally Excreted; Sulfur Acids; Sulfuric Acids; Electrolytes [K+].[K+].[O-]S([O-])(=O)=O 6485 Potassium_sulfate CHEMBL2021424 DB14500 Potassium BE0000732 ATP1A1 P05023 AT1A1_HUMAN regulator 27455317; 29540487; 23674806; 26854277 "Stone MS, Martyn L, Weaver CM: Potassium Intake, Bioavailability, Hypertension, and Glucose Control. Nutrients. 2016 Jul 22;8(7). pii: nu8070444. doi: 10.3390/nu8070444.@@Kardalas E, Paschou SA, Anagnostis P, Muscogiuri G, Siasos G, Vryonidou A: Hypokalemia: a clinical update. Endocr Connect. 2018 Apr;7(4):R135-R146. doi: 10.1530/EC-18-0109. Epub 2018 Mar 14.@@Weaver CM: Potassium and health. Adv Nutr. 2013 May 1;4(3):368S-77S. doi: 10.3945/an.112.003533.@@Hinderling PH: The Pharmacokinetics of Potassium in Humans Is Unusual. J Clin Pharmacol. 2016 Oct;56(10):1212-20. doi: 10.1002/jcph.713. Epub 2016 Mar 8." Approved; Experimental "Minerals; Potassium Salt; High-Ceiling Diuretics; Metals, Alkali; Metals; Replacement Preparations; Agents causing hyperkalemia; Elements; Diuretics; Low-Ceiling Diuretics, Excl. Thiazides; Metals, Light" [KH] 6485 Potassium 8588 DB14501 Ferrous glycine sulfate BE0008725 TFRC P02786 TFR1_HUMAN 16564538 "Hemadi M, Ha-Duong NT, El Hage Chahine JM: The mechanism of iron release from the transferrin-receptor 1 adduct. J Mol Biol. 2006 May 12;358(4):1125-36. Epub 2006 Mar 13." Approved "Antianemic Preparations; Blood and Blood Forming Organs; Iron Preparations; Iron Bivalent, Oral Preparations" [Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O CHEMBL3707208 DB14501 Ferrous glycine sulfate BE0002217 EGLN1 Q9GZT9 EGLN1_HUMAN 16649251 "Davidson TL, Chen H, Di Toro DM, D'Angelo G, Costa M: Soluble nickel inhibits HIF-prolyl-hydroxylases creating persistent hypoxic signaling in A549 cells. Mol Carcinog. 2006 Jul;45(7):479-89." Approved "Antianemic Preparations; Blood and Blood Forming Organs; Iron Preparations; Iron Bivalent, Oral Preparations" [Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O CHEMBL3707208 DB14501 Ferrous glycine sulfate BE0001608 HDAC8 Q9BY41 HDAC8_HUMAN 16681389 "Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8." Approved "Antianemic Preparations; Blood and Blood Forming Organs; Iron Preparations; Iron Bivalent, Oral Preparations" [Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O CHEMBL3707208 DB14501 Ferrous glycine sulfate BE0005817 NEIL2 Q969S2 NEIL2_HUMAN 20622253 "Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9." Approved "Antianemic Preparations; Blood and Blood Forming Organs; Iron Preparations; Iron Bivalent, Oral Preparations" [Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O CHEMBL3707208 DB14501 Ferrous glycine sulfate BE0000113 POLB P06746 DPOLB_HUMAN 20622253 "Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9." Approved "Antianemic Preparations; Blood and Blood Forming Organs; Iron Preparations; Iron Bivalent, Oral Preparations" [Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O CHEMBL3707208 DB14501 Ferrous glycine sulfate BE0001140 CP P00450 CERU_HUMAN 21049900 "Ha-Duong NT, Eid C, Hemadi M, El Hage Chahine JM: In vitro interaction between ceruloplasmin and human serum transferrin. Biochemistry. 2010 Dec 7;49(48):10261-3. doi: 10.1021/bi1014503. Epub 2010 Nov 9." Approved "Antianemic Preparations; Blood and Blood Forming Organs; Iron Preparations; Iron Bivalent, Oral Preparations" [Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O CHEMBL3707208 DB14507 Lithium citrate BE0001152 IMPA1 P29218 IMPA1_HUMAN 16874097; 16965760; 17068342; 17158747; 17251911; 20027624 "Sarkar S, Rubinsztein DC: Inositol and IP3 levels regulate autophagy: biology and therapeutic speculations. Autophagy. 2006 Apr-Jun;2(2):132-4. Epub 2006 Apr 6.@@Trinquet E, Fink M, Bazin H, Grillet F, Maurin F, Bourrier E, Ansanay H, Leroy C, Michaud A, Durroux T, Maurel D, Malhaire F, Goudet C, Pin JP, Naval M, Hernout O, Chretien F, Chapleur Y, Mathis G: D-myo-inositol 1-phosphate as a surrogate of D-myo-inositol 1,4,5-tris phosphate to monitor G protein-coupled receptor activation. Anal Biochem. 2006 Nov 1;358(1):126-35. Epub 2006 Aug 30.@@Ohnishi T, Ohba H, Seo KC, Im J, Sato Y, Iwayama Y, Furuichi T, Chung SK, Yoshikawa T: Spatial expression patterns and biochemical properties distinguish a second myo-inositol monophosphatase IMPA2 from IMPA1. J Biol Chem. 2007 Jan 5;282(1):637-46. Epub 2006 Oct 26.@@Tanizawa Y, Kuhara A, Inada H, Kodama E, Mizuno T, Mori I: Inositol monophosphatase regulates localization of synaptic components and behavior in the mature nervous system of C. elegans. Genes Dev. 2006 Dec 1;20(23):3296-310.@@Ohnishi T, Yamada K, Ohba H, Iwayama Y, Toyota T, Hattori E, Inada T, Kunugi H, Tatsumi M, Ozaki N, Iwata N, Sakamoto K, Iijima Y, Iwata Y, Tsuchiya KJ, Sugihara G, Nanko S, Osumi N, Detera-Wadleigh SD, Kato T, Yoshikawa T: A promoter haplotype of the inositol monophosphatase 2 gene (IMPA2) at 18p11.2 confers a possible risk for bipolar disorder by enhancing transcription. Neuropsychopharmacology. 2007 Aug;32(8):1727-37. Epub 2007 Jan 24.@@Li Z, Stieglitz KA, Shrout AL, Wei Y, Weis RM, Stec B, Roberts MF: Mobile loop mutations in an archaeal inositol monophosphatase: modulating three-metal ion assisted catalysis and lithium inhibition. Protein Sci. 2010 Feb;19(2):309-18. doi: 10.1002/pro.315." Approved Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Antimanic Agents; Psychotropic Drugs; QTc Prolonging Agents; Serotonin Agents; Central Nervous System Depressants; Tricarboxylic Acids; Nephrotoxic agents; Acids, Acyclic; Lithium Compounds; Narrow Therapeutic Index Drugs; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Mood Stabilizer; Antidepressive Agents; Neurotoxic agents; Serotonin Modulators" [Li+].[Li+].[Li+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 1399 Lithium_citrate CHEMBL1201170 DB14507 Lithium citrate BE0001065 GSK3B P49841 GSK3B_HUMAN 16733521; 17628506; 19754466 "Borsotto M, Cavarec L, Bouillot M, Romey G, Macciardi F, Delaye A, Nasroune M, Bastucci M, Sambucy JL, Luan JJ, Charpagne A, Jouet V, Leger R, Lazdunski M, Cohen D, Chumakov I: PP2A-Bgamma subunit and KCNQ2 K+ channels in bipolar disorder. Pharmacogenomics J. 2007 Apr;7(2):123-32. Epub 2006 May 30.@@Adli M, Hollinde DL, Stamm T, Wiethoff K, Tsahuridu M, Kirchheiner J, Heinz A, Bauer M: Response to lithium augmentation in depression is associated with the glycogen synthase kinase 3-beta -50T/C single nucleotide polymorphism. Biol Psychiatry. 2007 Dec 1;62(11):1295-302. Epub 2007 Jul 12.@@O'Brien WT, Klein PS: Validating GSK3 as an in vivo target of lithium action. Biochem Soc Trans. 2009 Oct;37(Pt 5):1133-8. doi: 10.1042/BST0371133." Approved Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Antimanic Agents; Psychotropic Drugs; QTc Prolonging Agents; Serotonin Agents; Central Nervous System Depressants; Tricarboxylic Acids; Nephrotoxic agents; Acids, Acyclic; Lithium Compounds; Narrow Therapeutic Index Drugs; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Mood Stabilizer; Antidepressive Agents; Neurotoxic agents; Serotonin Modulators" [Li+].[Li+].[Li+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 1399 Lithium_citrate CHEMBL1201170 DB14507 Lithium citrate BE0000831 GRIA3 P42263 GRIA3_HUMAN 10626836 "Karkanias NB, Papke RL: Lithium modulates desensitization of the glutamate receptor subtype gluR3 in Xenopus oocytes. Neurosci Lett. 1999 Dec 31;277(3):153-6." Approved Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives "Antimanic Agents; Psychotropic Drugs; QTc Prolonging Agents; Serotonin Agents; Central Nervous System Depressants; Tricarboxylic Acids; Nephrotoxic agents; Acids, Acyclic; Lithium Compounds; Narrow Therapeutic Index Drugs; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Mood Stabilizer; Antidepressive Agents; Neurotoxic agents; Serotonin Modulators" [Li+].[Li+].[Li+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O 1399 Lithium_citrate CHEMBL1201170 DB14508 Lithium succinate BE0001152 IMPA1 P29218 IMPA1_HUMAN 16874097; 16965760; 17068342; 17158747; 17251911; 20027624 "Sarkar S, Rubinsztein DC: Inositol and IP3 levels regulate autophagy: biology and therapeutic speculations. Autophagy. 2006 Apr-Jun;2(2):132-4. Epub 2006 Apr 6.@@Trinquet E, Fink M, Bazin H, Grillet F, Maurin F, Bourrier E, Ansanay H, Leroy C, Michaud A, Durroux T, Maurel D, Malhaire F, Goudet C, Pin JP, Naval M, Hernout O, Chretien F, Chapleur Y, Mathis G: D-myo-inositol 1-phosphate as a surrogate of D-myo-inositol 1,4,5-tris phosphate to monitor G protein-coupled receptor activation. Anal Biochem. 2006 Nov 1;358(1):126-35. Epub 2006 Aug 30.@@Ohnishi T, Ohba H, Seo KC, Im J, Sato Y, Iwayama Y, Furuichi T, Chung SK, Yoshikawa T: Spatial expression patterns and biochemical properties distinguish a second myo-inositol monophosphatase IMPA2 from IMPA1. J Biol Chem. 2007 Jan 5;282(1):637-46. Epub 2006 Oct 26.@@Tanizawa Y, Kuhara A, Inada H, Kodama E, Mizuno T, Mori I: Inositol monophosphatase regulates localization of synaptic components and behavior in the mature nervous system of C. elegans. Genes Dev. 2006 Dec 1;20(23):3296-310.@@Ohnishi T, Yamada K, Ohba H, Iwayama Y, Toyota T, Hattori E, Inada T, Kunugi H, Tatsumi M, Ozaki N, Iwata N, Sakamoto K, Iijima Y, Iwata Y, Tsuchiya KJ, Sugihara G, Nanko S, Osumi N, Detera-Wadleigh SD, Kato T, Yoshikawa T: A promoter haplotype of the inositol monophosphatase 2 gene (IMPA2) at 18p11.2 confers a possible risk for bipolar disorder by enhancing transcription. Neuropsychopharmacology. 2007 Aug;32(8):1727-37. Epub 2007 Jan 24.@@Li Z, Stieglitz KA, Shrout AL, Wei Y, Weis RM, Stec B, Roberts MF: Mobile loop mutations in an archaeal inositol monophosphatase: modulating three-metal ion assisted catalysis and lithium inhibition. Protein Sci. 2010 Feb;19(2):309-18. doi: 10.1002/pro.315." Experimental Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Dicarboxylic Acids; Ointments; Lithium Compounds; Acids, Acyclic; Dermatologicals" [Li+].[Li+].[O-]C(=O)CCC([O-])=O Lithium_succinate CHEMBL3707288 DB14508 Lithium succinate BE0001065 GSK3B P49841 GSK3B_HUMAN 16733521; 17628506; 19754466 "Borsotto M, Cavarec L, Bouillot M, Romey G, Macciardi F, Delaye A, Nasroune M, Bastucci M, Sambucy JL, Luan JJ, Charpagne A, Jouet V, Leger R, Lazdunski M, Cohen D, Chumakov I: PP2A-Bgamma subunit and KCNQ2 K+ channels in bipolar disorder. Pharmacogenomics J. 2007 Apr;7(2):123-32. Epub 2006 May 30.@@Adli M, Hollinde DL, Stamm T, Wiethoff K, Tsahuridu M, Kirchheiner J, Heinz A, Bauer M: Response to lithium augmentation in depression is associated with the glycogen synthase kinase 3-beta -50T/C single nucleotide polymorphism. Biol Psychiatry. 2007 Dec 1;62(11):1295-302. Epub 2007 Jul 12.@@O'Brien WT, Klein PS: Validating GSK3 as an in vivo target of lithium action. Biochem Soc Trans. 2009 Oct;37(Pt 5):1133-8. doi: 10.1042/BST0371133." Experimental Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Dicarboxylic Acids; Ointments; Lithium Compounds; Acids, Acyclic; Dermatologicals" [Li+].[Li+].[O-]C(=O)CCC([O-])=O Lithium_succinate CHEMBL3707288 DB14508 Lithium succinate BE0000831 GRIA3 P42263 GRIA3_HUMAN 10626836 "Karkanias NB, Papke RL: Lithium modulates desensitization of the glutamate receptor subtype gluR3 in Xenopus oocytes. Neurosci Lett. 1999 Dec 31;277(3):153-6." Experimental Dicarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives "Dicarboxylic Acids; Ointments; Lithium Compounds; Acids, Acyclic; Dermatologicals" [Li+].[Li+].[O-]C(=O)CCC([O-])=O Lithium_succinate CHEMBL3707288 DB14509 Lithium carbonate BE0001152 IMPA1 P29218 IMPA1_HUMAN 16874097; 16965760; 17068342; 17158747; 17251911; 20027624 "Sarkar S, Rubinsztein DC: Inositol and IP3 levels regulate autophagy: biology and therapeutic speculations. Autophagy. 2006 Apr-Jun;2(2):132-4. Epub 2006 Apr 6.@@Trinquet E, Fink M, Bazin H, Grillet F, Maurin F, Bourrier E, Ansanay H, Leroy C, Michaud A, Durroux T, Maurel D, Malhaire F, Goudet C, Pin JP, Naval M, Hernout O, Chretien F, Chapleur Y, Mathis G: D-myo-inositol 1-phosphate as a surrogate of D-myo-inositol 1,4,5-tris phosphate to monitor G protein-coupled receptor activation. Anal Biochem. 2006 Nov 1;358(1):126-35. Epub 2006 Aug 30.@@Ohnishi T, Ohba H, Seo KC, Im J, Sato Y, Iwayama Y, Furuichi T, Chung SK, Yoshikawa T: Spatial expression patterns and biochemical properties distinguish a second myo-inositol monophosphatase IMPA2 from IMPA1. J Biol Chem. 2007 Jan 5;282(1):637-46. Epub 2006 Oct 26.@@Tanizawa Y, Kuhara A, Inada H, Kodama E, Mizuno T, Mori I: Inositol monophosphatase regulates localization of synaptic components and behavior in the mature nervous system of C. elegans. Genes Dev. 2006 Dec 1;20(23):3296-310.@@Ohnishi T, Yamada K, Ohba H, Iwayama Y, Toyota T, Hattori E, Inada T, Kunugi H, Tatsumi M, Ozaki N, Iwata N, Sakamoto K, Iijima Y, Iwata Y, Tsuchiya KJ, Sugihara G, Nanko S, Osumi N, Detera-Wadleigh SD, Kato T, Yoshikawa T: A promoter haplotype of the inositol monophosphatase 2 gene (IMPA2) at 18p11.2 confers a possible risk for bipolar disorder by enhancing transcription. Neuropsychopharmacology. 2007 Aug;32(8):1727-37. Epub 2007 Jan 24.@@Li Z, Stieglitz KA, Shrout AL, Wei Y, Weis RM, Stec B, Roberts MF: Mobile loop mutations in an archaeal inositol monophosphatase: modulating three-metal ion assisted catalysis and lithium inhibition. Protein Sci. 2010 Feb;19(2):309-18. doi: 10.1002/pro.315." Approved Organic carbonic acids Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Organic carbonic acids "QTc Prolonging Agents; Enzyme Inhibitors; Acids; Nephrotoxic agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Electrolytes; Carbon Compounds, Inorganic; Central Nervous System Depressants; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Psycholeptics; Serotonin Modulators; Anions; Antimanic Agents; Ions; Carbonates; Mood Stabilizer; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Nervous System; Lithium Compounds; Narrow Therapeutic Index Drugs; Alkalies; Carbonic Acid; Acids, Noncarboxylic" [Li+].[Li+].[O-]C([O-])=O 10227 Lithium_carbonate CHEMBL1200826 DB14509 Lithium carbonate BE0001065 GSK3B P49841 GSK3B_HUMAN 16733521; 17628506; 19754466 "Borsotto M, Cavarec L, Bouillot M, Romey G, Macciardi F, Delaye A, Nasroune M, Bastucci M, Sambucy JL, Luan JJ, Charpagne A, Jouet V, Leger R, Lazdunski M, Cohen D, Chumakov I: PP2A-Bgamma subunit and KCNQ2 K+ channels in bipolar disorder. Pharmacogenomics J. 2007 Apr;7(2):123-32. Epub 2006 May 30.@@Adli M, Hollinde DL, Stamm T, Wiethoff K, Tsahuridu M, Kirchheiner J, Heinz A, Bauer M: Response to lithium augmentation in depression is associated with the glycogen synthase kinase 3-beta -50T/C single nucleotide polymorphism. Biol Psychiatry. 2007 Dec 1;62(11):1295-302. Epub 2007 Jul 12.@@O'Brien WT, Klein PS: Validating GSK3 as an in vivo target of lithium action. Biochem Soc Trans. 2009 Oct;37(Pt 5):1133-8. doi: 10.1042/BST0371133." Approved Organic carbonic acids Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Organic carbonic acids "QTc Prolonging Agents; Enzyme Inhibitors; Acids; Nephrotoxic agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Electrolytes; Carbon Compounds, Inorganic; Central Nervous System Depressants; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Psycholeptics; Serotonin Modulators; Anions; Antimanic Agents; Ions; Carbonates; Mood Stabilizer; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Nervous System; Lithium Compounds; Narrow Therapeutic Index Drugs; Alkalies; Carbonic Acid; Acids, Noncarboxylic" [Li+].[Li+].[O-]C([O-])=O 10227 Lithium_carbonate CHEMBL1200826 DB14509 Lithium carbonate BE0000831 GRIA3 P42263 GRIA3_HUMAN 10626836 "Karkanias NB, Papke RL: Lithium modulates desensitization of the glutamate receptor subtype gluR3 in Xenopus oocytes. Neurosci Lett. 1999 Dec 31;277(3):153-6." Approved Organic carbonic acids Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Organic carbonic acids "QTc Prolonging Agents; Enzyme Inhibitors; Acids; Nephrotoxic agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Electrolytes; Carbon Compounds, Inorganic; Central Nervous System Depressants; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Psycholeptics; Serotonin Modulators; Anions; Antimanic Agents; Ions; Carbonates; Mood Stabilizer; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Nervous System; Lithium Compounds; Narrow Therapeutic Index Drugs; Alkalies; Carbonic Acid; Acids, Noncarboxylic" [Li+].[Li+].[O-]C([O-])=O 10227 Lithium_carbonate CHEMBL1200826 DB14512 Mometasone furoate BE0000794 NR3C1 P04150 GCR_HUMAN 8439518; 10518812; 9793625; 12127907; 11752352 "Isogai M, Shimizu H, Esumi Y, Terasawa T, Okada T, Sugeno K: Binding affinities of mometasone furoate and related compounds including its metabolites for the glucocorticoid receptor of rat skin tissue. J Steroid Biochem Mol Biol. 1993 Feb;44(2):141-5.@@Lumry WR: A review of the preclinical and clinical data of newer intranasal steroids used in the treatment of allergic rhinitis. J Allergy Clin Immunol. 1999 Oct;104(4 Pt 1):S150-8.@@Smith CL, Kreutner W: In vitro glucocorticoid receptor binding and transcriptional activation by topically active glucocorticoids. Arzneimittelforschung. 1998 Sep;48(9):956-60.@@Zhang X, Moilanen E, Adcock IM, Lindsay MA, Kankaanranta H: Divergent effect of mometasone on human eosinophil and neutrophil apoptosis. Life Sci. 2002 Aug 16;71(13):1523-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Allergic Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Steroids; Nasal Preparations; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Adrenergics, Inhalants; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Adrenals; Cytochrome P-450 CYP2C8 Inhibitors (strong)" [H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7504 D00690 Mometasone CHEMBL1161 DB14512 Mometasone furoate BE0000557 PGR P06401 PRGR_HUMAN 15189034 "Madauss KP, Deng SJ, Austin RJ, Lambert MH, McLay I, Pritchard J, Short SA, Stewart EL, Uings IJ, Williams SP: Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes. J Med Chem. 2004 Jun 17;47(13):3381-7." Approved; Investigational; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Anti-Allergic Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Steroids; Nasal Preparations; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Adrenergics, Inhalants; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Adrenals; Cytochrome P-450 CYP2C8 Inhibitors (strong)" [H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7504 D00690 Mometasone CHEMBL1161 DB14514 Magnesium levulinate BE0000732 ATP1A1 P05023 AT1A1_HUMAN 16808357; 16928192; 16990961; 17294093 "Buchachenko AL, Kuznetsov DA, Berdinskii VL: [New mechanisms of biological effects of electromagnetic fields]. Biofizika. 2006 May-Jun;51(3):545-52.@@Sirijovski N, Olsson U, Lundqvist J, Al-Karadaghi S, Willows RD, Hansson M: ATPase activity associated with the magnesium chelatase H-subunit of the chlorophyll biosynthetic pathway is an artefact. Biochem J. 2006 Dec 15;400(3):477-84.@@Balasubramaniyan V, Nalini N: Leptin alters brain adenosine triphosphatase activity in ethanol-mediated neurotoxicity in mice. Singapore Med J. 2006 Oct;47(10):864-8.@@Nogovitsina OR, Levitina EV: Neurological aspects of the clinical features, pathophysiology, and corrections of impairments in attention deficit hyperactivity disorder. Neurosci Behav Physiol. 2007 Mar;37(3):199-202." Nutraceutical Gamma-keto acids and derivatives Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives Enzyme Inhibitors; Metal divalent cations; Keto Acids; Magnesium Compounds; Mineral Supplements; Metal cations; Alimentary Tract and Metabolism [Mg++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O Magnesium_levulinate CHEMBL3707302 DB14515 Magnesium lactate BE0000732 ATP1A1 P05023 AT1A1_HUMAN 16808357; 16928192; 16990961; 17294093 "Buchachenko AL, Kuznetsov DA, Berdinskii VL: [New mechanisms of biological effects of electromagnetic fields]. Biofizika. 2006 May-Jun;51(3):545-52.@@Sirijovski N, Olsson U, Lundqvist J, Al-Karadaghi S, Willows RD, Hansson M: ATPase activity associated with the magnesium chelatase H-subunit of the chlorophyll biosynthetic pathway is an artefact. Biochem J. 2006 Dec 15;400(3):477-84.@@Balasubramaniyan V, Nalini N: Leptin alters brain adenosine triphosphatase activity in ethanol-mediated neurotoxicity in mice. Singapore Med J. 2006 Oct;47(10):864-8.@@Nogovitsina OR, Levitina EV: Neurological aspects of the clinical features, pathophysiology, and corrections of impairments in attention deficit hyperactivity disorder. Neurosci Behav Physiol. 2007 Mar;37(3):199-202." Nutraceutical Mineral Supplements; Metal divalent cations; Magnesium Compounds; Metal cations; Alimentary Tract and Metabolism [Mg++].CC(O)C([O-])=O.CC(O)C([O-])=O 6487 Magnesium_lactate CHEMBL3707281 DB14517 Aluminium phosphate BE0000732 ATP1A1 P05023 AT1A1_HUMAN 11509182; 14507470; 15111247; 15254985; 15651920; 11752352 "Menz RI, Walker JE, Leslie AG: Structure of bovine mitochondrial F(1)-ATPase with nucleotide bound to all three catalytic sites: implications for the mechanism of rotary catalysis. Cell. 2001 Aug 10;106(3):331-41.@@Silva VS, Goncalves PP: The inhibitory effect of aluminium on the (Na+/K+)ATPase activity of rat brain cortex synaptosomes. J Inorg Biochem. 2003 Sep 15;97(1):143-50.@@Amador FC, Santos MS, Oliveira CR: Lipid peroxidation and aluminium effects on the cholinergic system in nerve terminals. Neurotox Res. 2001 Jul;3(3):223-33.@@Kohila T, Parkkonen E, Tahti H: Evaluation of the effects of aluminium, ethanol and their combination on rat brain synaptosomal integral proteins in vitro and after 90-day oral exposure. Arch Toxicol. 2004 May;78(5):276-82.@@Kohila T, Tahti H: Effects of aluminium and lead on ATPase activity of knockout +/- mouse cerebral synaptosomes in vitro. Altern Lab Anim. 2004 Oct;32(4):361-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Post-transition metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Post-transition metal oxoanionic compounds; Post-transition metal phosphates "Acids; Adjuvants, Immunologic; Drugs for Acid Related Disorders; Metal cations; Gastrointestinal Agents; Phosphorus Acids; Electrolytes; Aluminium Compounds; Phosphorus Compounds; Aluminum and magnesium containing antacids; Immunologic Factors; Phosphoric Acids; Alimentary Tract and Metabolism; Anions; Ions; Gastric Acid Lowering Agents; Metal divalent cations; Antacids; Acids, Noncarboxylic" [Al+3].[O-]P([O-])([O-])=O Aluminium_phosphate CHEMBL3833315 DB14517 Aluminium phosphate BE0003392 APP P05067 A4_HUMAN 16942756 "Banks WA, Niehoff ML, Drago D, Zatta P: Aluminum complexing enhances amyloid beta protein penetration of blood-brain barrier. Brain Res. 2006 Oct 20;1116(1):215-21. Epub 2006 Aug 30." Approved; Investigational Post-transition metal phosphates Inorganic compounds; Mixed metal/non-metal compounds; Post-transition metal oxoanionic compounds; Post-transition metal phosphates "Acids; Adjuvants, Immunologic; Drugs for Acid Related Disorders; Metal cations; Gastrointestinal Agents; Phosphorus Acids; Electrolytes; Aluminium Compounds; Phosphorus Compounds; Aluminum and magnesium containing antacids; Immunologic Factors; Phosphoric Acids; Alimentary Tract and Metabolism; Anions; Ions; Gastric Acid Lowering Agents; Metal divalent cations; Antacids; Acids, Noncarboxylic" [Al+3].[O-]P([O-])([O-])=O Aluminium_phosphate CHEMBL3833315 DB14518 Aluminum acetate BE0000732 ATP1A1 P05023 AT1A1_HUMAN 11509182; 14507470; 15111247; 15254985; 15651920; 11752352 "Menz RI, Walker JE, Leslie AG: Structure of bovine mitochondrial F(1)-ATPase with nucleotide bound to all three catalytic sites: implications for the mechanism of rotary catalysis. Cell. 2001 Aug 10;106(3):331-41.@@Silva VS, Goncalves PP: The inhibitory effect of aluminium on the (Na+/K+)ATPase activity of rat brain cortex synaptosomes. J Inorg Biochem. 2003 Sep 15;97(1):143-50.@@Amador FC, Santos MS, Oliveira CR: Lipid peroxidation and aluminium effects on the cholinergic system in nerve terminals. Neurotox Res. 2001 Jul;3(3):223-33.@@Kohila T, Parkkonen E, Tahti H: Evaluation of the effects of aluminium, ethanol and their combination on rat brain synaptosomal integral proteins in vitro and after 90-day oral exposure. Arch Toxicol. 2004 May;78(5):276-82.@@Kohila T, Tahti H: Effects of aluminium and lead on ATPase activity of knockout +/- mouse cerebral synaptosomes in vitro. Altern Lab Anim. 2004 Oct;32(4):361-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Approved; Investigational Carboxylic acids Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids "Fatty Acids, Volatile; Lipids; Acids, Acyclic; Fatty Acids" [Al+3].CC([O-])=O.CC([O-])=O.CC([O-])=O 10033 Aluminium_acetate CHEMBL1201015 DB14518 Aluminum acetate BE0003392 APP P05067 A4_HUMAN 16942756 "Banks WA, Niehoff ML, Drago D, Zatta P: Aluminum complexing enhances amyloid beta protein penetration of blood-brain barrier. Brain Res. 2006 Oct 20;1116(1):215-21. Epub 2006 Aug 30." Approved; Investigational Carboxylic acids Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids "Fatty Acids, Volatile; Lipids; Acids, Acyclic; Fatty Acids" [Al+3].CC([O-])=O.CC([O-])=O.CC([O-])=O 10033 Aluminium_acetate CHEMBL1201015 DB14520 Tetraferric tricitrate decahydrate BE0008725 TFRC P02786 TFR1_HUMAN ligand 16564538; 24310424; 25053935 "Hemadi M, Ha-Duong NT, El Hage Chahine JM: The mechanism of iron release from the transferrin-receptor 1 adduct. J Mol Biol. 2006 May 12;358(4):1125-36. Epub 2006 Mar 13.@@Geisser P, Burckhardt S: The pharmacokinetics and pharmacodynamics of iron preparations. Pharmaceutics. 2011 Jan 4;3(1):12-33. doi: 10.3390/pharmaceutics3010012.@@Waldvogel-Abramowski S, Waeber G, Gassner C, Buser A, Frey BM, Favrat B, Tissot JD: Physiology of iron metabolism. Transfus Med Hemother. 2014 Jun;41(3):213-21. doi: 10.1159/000362888. Epub 2014 May 12." Approved "Organometallic Compounds; Drugs for Treatment of Hyperkalemia and Hyperphosphatemia; Iron Compounds; Phosphate Binder; Anemia, Iron-Deficiency" O.O.O.O.O.O.O.O.O.O.[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O.[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O.[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O 309 CHEMBL3301597 DB14526 Chromic citrate BE0001173 CYB5A P00167 CYB5_HUMAN 11223168 "Jannetto PJ, Antholine WE, Myers CR: Cytochrome b(5) plays a key role in human microsomal chromium(VI) reduction. Toxicology. 2001 Feb 28;159(3):119-33." Experimental Tricarboxylic acids and derivatives Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives Drugs that are Mainly Renally Excreted [Cr+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O DB14527 Chromic nitrate BE0001173 CYB5A P00167 CYB5_HUMAN 11223168 "Jannetto PJ, Antholine WE, Myers CR: Cytochrome b(5) plays a key role in human microsomal chromium(VI) reduction. Toxicology. 2001 Feb 28;159(3):119-33." Approved Transition metal nitrates Inorganic compounds; Mixed metal/non-metal compounds; Transition metal oxoanionic compounds; Transition metal nitrates Nitrogen Compounds; Anions; Ions; Drugs that are Mainly Renally Excreted; Electrolytes [Cr+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O Chromium(III)_nitrate DB14528 Chromium gluconate BE0001173 CYB5A P00167 CYB5_HUMAN 11223168 "Jannetto PJ, Antholine WE, Myers CR: Cytochrome b(5) plays a key role in human microsomal chromium(VI) reduction. Toxicology. 2001 Feb 28;159(3):119-33." Approved Sugar acids and derivatives Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates Drugs that are Mainly Renally Excreted [Cr+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O DB14529 Chromium nicotinate BE0001173 CYB5A P00167 CYB5_HUMAN 11223168 "Jannetto PJ, Antholine WE, Myers CR: Cytochrome b(5) plays a key role in human microsomal chromium(VI) reduction. Toxicology. 2001 Feb 28;159(3):119-33." Approved; Experimental Pyridinecarboxylic acids Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives Nicotinic Acids; Drugs that are Mainly Renally Excreted [Cr+3].[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1 Chromium(III)_nicotinate DB14530 Chromous sulfate BE0001173 CYB5A P00167 CYB5_HUMAN 11223168 "Jannetto PJ, Antholine WE, Myers CR: Cytochrome b(5) plays a key role in human microsomal chromium(VI) reduction. Toxicology. 2001 Feb 28;159(3):119-33." Approved Transition metal sulfates Inorganic compounds; Mixed metal/non-metal compounds; Transition metal oxoanionic compounds; Transition metal sulfates Drugs that are Mainly Renally Excreted [Cr++].[O-]S([O-])(=O)=O Chromium(II)_sulfate DB14533 Zinc chloride BE0004528 EEF1A1 P68104 EF1A1_HUMAN binder 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0002467 P4HB P07237 PDIA1_HUMAN binder 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0008980 PDIA3 P30101 PDIA3_HUMAN binder 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0005844 PRDX1 Q06830 PRDX1_HUMAN binder 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0004590 PSPH P78330 SERB_HUMAN binder 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0003844 TPI1 P60174 TPIS_HUMAN binder 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0004542 TUFM P49411 EFTU_HUMAN cofactor 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0000123 ESR1 P03372 ESR1_HUMAN binder 14640689 "Payne JC, Rous BW, Tenderholt AL, Godwin HA: Spectroscopic determination of the binding affinity of zinc to the DNA-binding domains of nuclear hormone receptors. Biochemistry. 2003 Dec 9;42(48):14214-24." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0005815 CCS O14618 CCS_HUMAN cofactor 15736924; 10677207 "Stasser JP, Eisses JF, Barry AN, Kaplan JH, Blackburn NJ: Cysteine-to-serine mutants of the human copper chaperone for superoxide dismutase reveal a copper cluster at a domain III dimer interface. Biochemistry. 2005 Mar 8;44(9):3143-52.@@Lamb AL, Wernimont AK, Pufahl RA, O'Halloran TV, Rosenzweig AC: Crystal structure of the second domain of the human copper chaperone for superoxide dismutase. Biochemistry. 2000 Feb 22;39(7):1589-95." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0002365 HDAC1 Q13547 HDAC1_HUMAN cofactor 16439135; 29616828 "Bhuiyan MP, Kato T, Okauchi T, Nishino N, Maeda S, Nishino TG, Yoshida M: Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Bioorg Med Chem. 2006 May 15;14(10):3438-46. Epub 2006 Jan 24.@@Zhang L, Zhang J, Jiang Q, Zhang L, Song W: Zinc binding groups for histone deacetylase inhibitors. J Enzyme Inhib Med Chem. 2018 Dec;33(1):714-721. doi: 10.1080/14756366.2017.1417274." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0003523 HDAC4 P56524 HDAC4_HUMAN cofactor 16439135; 29616828 "Bhuiyan MP, Kato T, Okauchi T, Nishino N, Maeda S, Nishino TG, Yoshida M: Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Bioorg Med Chem. 2006 May 15;14(10):3438-46. Epub 2006 Jan 24.@@Zhang L, Zhang J, Jiang Q, Zhang L, Song W: Zinc binding groups for histone deacetylase inhibitors. J Enzyme Inhib Med Chem. 2018 Dec;33(1):714-721. doi: 10.1080/14756366.2017.1417274." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0002390 SOD1 P00441 SODC_HUMAN cofactor 16583143 "Krishnan U, Son M, Rajendran B, Elliott JL: Novel mutations that enhance or repress the aggregation potential of SOD1. Mol Cell Biochem. 2006 Jul;287(1-2):201-11. Epub 2006 Apr 1." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0001608 HDAC8 Q9BY41 HDAC8_HUMAN cofactor 16681389 "Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0005834 SIVA1 O15304 SIVA_HUMAN binder 16683188 "Nestler M, Martin U, Hortschansky P, Saluz HP, Henke A, Munder T: The zinc containing pro-apoptotic protein siva interacts with the peroxisomal membrane protein pmp22. Mol Cell Biochem. 2006 Jul;287(1-2):147-55. Epub 2006 May 9." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0000433 GLRA1 P23415 GLRA1_HUMAN inhibitor 16842826 "Chen Z, Dillon GH, Huang R: Identification of residues critical for Cu2+-mediated inhibition of glycine alpha1 receptors. Neuropharmacology. 2006 Sep;51(4):701-8. Epub 2006 Jul 12." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0005835 UTRN P46939 UTRO_HUMAN cofactor 17009962 "Hnia K, Zouiten D, Cantel S, Chazalette D, Hugon G, Fehrentz JA, Masmoudi A, Diment A, Bramham J, Mornet D, Winder SJ: ZZ domain of dystrophin and utrophin: topology and mapping of a beta-dystroglycan interaction site. Biochem J. 2007 Feb 1;401(3):667-77." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0008994 TP73 O15350 P73_HUMAN chaperone 17170001 "Lokshin M, Li Y, Gaiddon C, Prives C: p53 and p73 display common and distinct requirements for sequence specific binding to DNA. Nucleic Acids Res. 2007;35(1):340-52. Epub 2006 Dec 14." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0003380 TP53 P04637 P53_HUMAN chaperone 17327663; 29843463 "Wang Y, Rosengarth A, Luecke H: Structure of the human p53 core domain in the absence of DNA. Acta Crystallogr D Biol Crystallogr. 2007 Mar;63(Pt 3):276-81. Epub 2007 Feb 21.@@Kogan S, Carpizo DR: Zinc Metallochaperones as Mutant p53 Reactivators: A New Paradigm in Cancer Therapeutics. Cancers (Basel). 2018 May 29;10(6). pii: cancers10060166. doi: 10.3390/cancers10060166." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0000910 A2M P01023 A2MG_HUMAN ligand 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0009048 AHSG P02765 FETUA_HUMAN chelator 90057 "Lebreton JP, Joisel F, Raoult JP, Lannuzel B, Rogez JP, Humbert G: Serum concentration of human alpha 2 HS glycoprotein during the inflammatory process: evidence that alpha 2 HS glycoprotein is a negative acute-phase reactant. J Clin Invest. 1979 Oct;64(4):1118-29. doi: 10.1172/JCI109551." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0009069 APOL1 O14791 APOL1_HUMAN inhibitor 29110762 "Olabisi OA, Heneghan JF: APOL1 Nephrotoxicity: What Does Ion Transport Have to Do With It? Semin Nephrol. 2017 Nov;37(6):546-551. doi: 10.1016/j.semnephrol.2017.07.008." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0001529 C1S P09871 C1S_HUMAN modulator 7332580 Boyle MD: Inhibition by zinc of the binding of C1 to antigen-antibody complexes. Biochem Biophys Res Commun. 1981 Dec 15;103(3):856-62. doi: 10.1016/0006-291x(81)90889-5. Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0003455 C3 P01024 CO3_HUMAN inhibitor 23896426; 25393287 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Smailhodzic D, van Asten F, Blom AM, Mohlin FC, den Hollander AI, van de Ven JP, van Huet RA, Groenewoud JM, Tian Y, Berendschot TT, Lechanteur YT, Fauser S, de Bruijn C, Daha MR, van der Wilt GJ, Hoyng CB, Klevering BJ: Zinc supplementation inhibits complement activation in age-related macular degeneration. PLoS One. 2014 Nov 13;9(11):e112682. doi: 10.1371/journal.pone.0112682. eCollection 2014." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0004686 C4B P0C0L5 CO4B_HUMAN modulator 14522582 "Blom AM, Kask L, Ramesh B, Hillarp A: Effects of zinc on factor I cofactor activity of C4b-binding protein and factor H. Arch Biochem Biophys. 2003 Oct 15;418(2):108-18." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0000855 C5 P01031 CO5_HUMAN ligand 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0009071 BRCC3 P46736 BRCC3_HUMAN cofactor 26344097 "Zeqiraj E, Tian L, Piggott CA, Pillon MC, Duffy NM, Ceccarelli DF, Keszei AF, Lorenzen K, Kurinov I, Orlicky S, Gish GD, Heck AJ, Guarne A, Greenberg RA, Sicheri F: Higher-Order Assembly of BRCC36-KIAA0157 Is Required for DUB Activity and Biological Function. Mol Cell. 2015 Sep 17;59(6):970-83. doi: 10.1016/j.molcel.2015.07.028. Epub 2015 Sep 3." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0009053 CFH P08603 CFAH_HUMAN ligand 21396937 "Nan R, Farabella I, Schumacher FF, Miller A, Gor J, Martin AC, Jones DT, Lengyel I, Perkins SJ: Zinc binding to the Tyr402 and His402 allotypes of complement factor H: possible implications for age-related macular degeneration. J Mol Biol. 2011 May 13;408(4):714-35. doi: 10.1016/j.jmb.2011.03.006. Epub 2011 Mar 17." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0001140 CP P00450 CERU_HUMAN ligand 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0003504 CPN2 P22792 CPN2_HUMAN cofactor 18039526 "Skidgel RA, Erdos EG: Structure and function of human plasma carboxypeptidase N, the anaphylatoxin inactivator. Int Immunopharmacol. 2007 Dec 20;7(14):1888-99. doi: 10.1016/j.intimp.2007.07.014. Epub 2007 Aug 15." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0001180 FN1 P02751 FINC_HUMAN modulator 23896426; 20541508 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Graille M, Pagano M, Rose T, Ravaux MR, van Tilbeurgh H: Zinc induces structural reorganization of gelatin binding domain from human fibronectin and affects collagen binding. Structure. 2010 Jun 9;18(6):710-8. doi: 10.1016/j.str.2010.03.012." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0009081 ITIH3 Q06033 ITIH3_HUMAN binder 23896426; 6164311 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Salier JP, Martin JP, Lambin P, McPhee H, Hochstrasser K: Purification of the human serum inter-alpha-trypsin inhibitor by zinc chelate and hydrophobic interaction chromatographies. Anal Biochem. 1980 Dec;109(2):273-83. doi: 10.1016/0003-2697(80)90649-1." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0002440 KLKB1 P03952 KLKB1_HUMAN inhibitor 23896426; 20615447 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Goettig P, Magdolen V, Brandstetter H: Natural and synthetic inhibitors of kallikrein-related peptidases (KLKs). Biochimie. 2010 Nov;92(11):1546-67. doi: 10.1016/j.biochi.2010.06.022. Epub 2010 Jul 6." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0004613 PGLYRP2 Q96PD5 PGRP2_HUMAN binder 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0000930 PON1 P27169 PON1_HUMAN inducer 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0005533 SEPP1 P49908 SEPP1_HUMAN binder 23896426; 23652332 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Du X, Li H, Wang Z, Qiu S, Liu Q, Ni J: Selenoprotein P and selenoprotein M block Zn2+ -mediated Abeta42 aggregation and toxicity. Metallomics. 2013 Jun;5(7):861-70. doi: 10.1039/c3mt20282h." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0000775 SERPIND1 P05546 HEP2_HUMAN agonist 12706831 "Eckert R, Ragg H: Zinc ions promote the interaction between heparin and heparin cofactor II. FEBS Lett. 2003 Apr 24;541(1-3):121-5." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0000685 SHBG P04278 SHBG_HUMAN modulator 23896426; 12943704 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Hammond GL, Avvakumov GV, Muller YA: Structure/function analyses of human sex hormone-binding globulin: effects of zinc on steroid-binding specificity. J Steroid Biochem Mol Biol. 2003 Jun;85(2-5):195-200. doi: 10.1016/s0960-0760(03)00195-x." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0000337 TTR P02766 TTHY_HUMAN inducer 23896426; 22120741 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Castro-Rodrigues AF, Gales L, Saraiva MJ, Damas AM: Structural insights into a zinc-dependent pathway leading to Leu55Pro transthyretin amyloid fibrils. Acta Crystallogr D Biol Crystallogr. 2011 Dec;67(Pt 12):1035-44. doi: 10.1107/S090744491104491X. Epub 2011 Nov 5." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0009093 APLP2 Q06481 APLP2_HUMAN ligand 24855651 "Mayer MC, Kaden D, Schauenburg L, Hancock MA, Voigt P, Roeser D, Barucker C, Than ME, Schaefer M, Multhaup G: Novel zinc-binding site in the E2 domain regulates amyloid precursor-like protein 1 (APLP1) oligomerization. J Biol Chem. 2014 Jul 4;289(27):19019-30. doi: 10.1074/jbc.M114.570382. Epub 2014 May 22." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0003392 APP P05067 A4_HUMAN ligand 24855651 "Mayer MC, Kaden D, Schauenburg L, Hancock MA, Voigt P, Roeser D, Barucker C, Than ME, Schaefer M, Multhaup G: Novel zinc-binding site in the E2 domain regulates amyloid precursor-like protein 1 (APLP1) oligomerization. J Biol Chem. 2014 Jul 4;289(27):19019-30. doi: 10.1074/jbc.M114.570382. Epub 2014 May 22." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0001717 PARP1 P09874 PARP1_HUMAN component of 25549802 "Bossak K, Goch W, Piatek K, Fraczyk T, Poznanski J, Bonna A, Keil C, Hartwig A, Bal W: Unusual Zn(II) Affinities of Zinc Fingers of Poly(ADP-ribose)Polymerase 1 (PARP-1) Nuclear Protein. Chem Res Toxicol. 2015 Feb 16;28(2):191-201." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0009909 HPX P02790 HEMO_HUMAN ligand 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0001021 F11 P03951 FA11_HUMAN activator 17968515 "Tubek S, Grzanka P, Tubek I: Role of zinc in hemostasis: a review. Biol Trace Elem Res. 2008 Jan;121(1):1-8. doi: 10.1007/s12011-007-8038-y. Epub 2007 Oct 30." Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14533 Zinc chloride BE0009915 APOBEC1 P41238 ABEC1_HUMAN cofactor 27869537 Smith HC: RNA binding to APOBEC deaminases; Not simply a substrate for C to U editing. RNA Biol. 2017 Sep 2;14(9):1153-1165. doi: 10.1080/15476286.2016.1259783. Epub 2016 Nov 21. Approved; Investigational Transition metal chlorides Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides "Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic" [Cl-].[Cl-].[Zn++] 331 Zinc_chloride CHEMBL1200679 DB14538 Hydrocortisone aceponate BE0000422 ANXA1 P04083 ANXA1_HUMAN 17139284; 17016423; 11142771; 1712816; 8060156 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sato-Matsumura KC, Matsumura T, Nakamura H, Sawa H, Nagashima K, Koizumi H: Membrane expression of annexin I is enhanced by calcium and TPA in cultured human keratinocytes. Arch Dermatol Res. 2000 Oct;292(10):496-9.@@White MV, Igarashi Y, Lundgren JD, Shelhamer J, Kaliner M: Hydrocortisone inhibits rat basophilic leukemia cell mediator release induced by neutrophil-derived histamine releasing activity as well as by anti-IgE. J Immunol. 1991 Jul 15;147(2):667-73.@@Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72." Experimental; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Pregnenes; 17-Hydroxycorticosteroids; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](OC(=O)CC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C D06876 Hydrocortisone_aceponate CHEMBL2106309 DB14538 Hydrocortisone aceponate BE0000794 NR3C1 P04150 GCR_HUMAN 16891588; 16895953; 16980198; 17038445; 17086345 "Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404." Experimental; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Pregnenes; 17-Hydroxycorticosteroids; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](OC(=O)CC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C D06876 Hydrocortisone_aceponate CHEMBL2106309 DB14539 Hydrocortisone acetate BE0000422 ANXA1 P04083 ANXA1_HUMAN 17139284; 17016423; 11142771; 1712816; 8060156 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sato-Matsumura KC, Matsumura T, Nakamura H, Sawa H, Nagashima K, Koizumi H: Membrane expression of annexin I is enhanced by calcium and TPA in cultured human keratinocytes. Arch Dermatol Res. 2000 Oct;292(10):496-9.@@White MV, Igarashi Y, Lundgren JD, Shelhamer J, Kaliner M: Hydrocortisone inhibits rat basophilic leukemia cell mediator release induced by neutrophil-derived histamine releasing activity as well as by anti-IgE. J Immunol. 1991 Jul 15;147(2):667-73.@@Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Pregnenes; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Aerosols; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7532 D00165 Hydrocortisone_acetate CHEMBL1091 DB14539 Hydrocortisone acetate BE0000794 NR3C1 P04150 GCR_HUMAN 16891588; 16895953; 16980198; 17038445; 17086345 "Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Pregnenes; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Aerosols; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7532 D00165 Hydrocortisone_acetate CHEMBL1091 DB14540 Hydrocortisone butyrate BE0000422 ANXA1 P04083 ANXA1_HUMAN 17139284; 17016423; 11142771; 1712816; 8060156 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sato-Matsumura KC, Matsumura T, Nakamura H, Sawa H, Nagashima K, Koizumi H: Membrane expression of annexin I is enhanced by calcium and TPA in cultured human keratinocytes. Arch Dermatol Res. 2000 Oct;292(10):496-9.@@White MV, Igarashi Y, Lundgren JD, Shelhamer J, Kaliner M: Hydrocortisone inhibits rat basophilic leukemia cell mediator release induced by neutrophil-derived histamine releasing activity as well as by anti-IgE. J Immunol. 1991 Jul 15;147(2):667-73.@@Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72." Approved; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnenes; 17-Hydroxycorticosteroids; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Administration, Topical; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](OC(=O)CCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C D01619 Hydrocortisone_butyrate CHEMBL1683 DB14540 Hydrocortisone butyrate BE0000794 NR3C1 P04150 GCR_HUMAN 16891588; 16895953; 16980198; 17038445; 17086345 "Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404." Approved; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnenes; 17-Hydroxycorticosteroids; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Administration, Topical; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](OC(=O)CCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C D01619 Hydrocortisone_butyrate CHEMBL1683 DB14541 Hydrocortisone cypionate BE0000422 ANXA1 P04083 ANXA1_HUMAN 17139284; 17016423; 11142771; 1712816; 8060156 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sato-Matsumura KC, Matsumura T, Nakamura H, Sawa H, Nagashima K, Koizumi H: Membrane expression of annexin I is enhanced by calcium and TPA in cultured human keratinocytes. Arch Dermatol Res. 2000 Oct;292(10):496-9.@@White MV, Igarashi Y, Lundgren JD, Shelhamer J, Kaliner M: Hydrocortisone inhibits rat basophilic leukemia cell mediator release induced by neutrophil-derived histamine releasing activity as well as by anti-IgE. J Immunol. 1991 Jul 15;147(2):667-73.@@Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72." Approved; Investigational; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Pregnenes; 17-Hydroxycorticosteroids; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Hydroxycorticosteroids; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC3CCCC3)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C D00976 Hydrocortisone_cypionate CHEMBL1549 DB14541 Hydrocortisone cypionate BE0000794 NR3C1 P04150 GCR_HUMAN 16891588; 16895953; 16980198; 17038445; 17086345 "Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404." Approved; Investigational; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Pregnenes; 17-Hydroxycorticosteroids; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Hydroxycorticosteroids; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC3CCCC3)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C D00976 Hydrocortisone_cypionate CHEMBL1549 DB14542 Hydrocortisone phosphate BE0000422 ANXA1 P04083 ANXA1_HUMAN 17139284; 17016423; 11142771; 1712816; 8060156 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sato-Matsumura KC, Matsumura T, Nakamura H, Sawa H, Nagashima K, Koizumi H: Membrane expression of annexin I is enhanced by calcium and TPA in cultured human keratinocytes. Arch Dermatol Res. 2000 Oct;292(10):496-9.@@White MV, Igarashi Y, Lundgren JD, Shelhamer J, Kaliner M: Hydrocortisone inhibits rat basophilic leukemia cell mediator release induced by neutrophil-derived histamine releasing activity as well as by anti-IgE. J Immunol. 1991 Jul 15;147(2):667-73.@@Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Pregnenes; 17-Hydroxycorticosteroids; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Hydroxycorticosteroids; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Hydrocortisone_phosphate CHEMBL1641 DB14542 Hydrocortisone phosphate BE0000794 NR3C1 P04150 GCR_HUMAN 16891588; 16895953; 16980198; 17038445; 17086345 "Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Pregnenes; 17-Hydroxycorticosteroids; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Hydroxycorticosteroids; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Hydrocortisone_phosphate CHEMBL1641 DB14543 Hydrocortisone probutate BE0000422 ANXA1 P04083 ANXA1_HUMAN 17139284; 17016423; 11142771; 1712816; 8060156 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sato-Matsumura KC, Matsumura T, Nakamura H, Sawa H, Nagashima K, Koizumi H: Membrane expression of annexin I is enhanced by calcium and TPA in cultured human keratinocytes. Arch Dermatol Res. 2000 Oct;292(10):496-9.@@White MV, Igarashi Y, Lundgren JD, Shelhamer J, Kaliner M: Hydrocortisone inhibits rat basophilic leukemia cell mediator release induced by neutrophil-derived histamine releasing activity as well as by anti-IgE. J Immunol. 1991 Jul 15;147(2):667-73.@@Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Pregnenes; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C D01886 Hydrocortisone CHEMBL1200953 DB14543 Hydrocortisone probutate BE0000794 NR3C1 P04150 GCR_HUMAN 16891588; 16895953; 16980198; 17038445; 17086345 "Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Pregnenes; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C D01886 Hydrocortisone CHEMBL1200953 DB14544 Hydrocortisone valerate BE0000422 ANXA1 P04083 ANXA1_HUMAN 17139284; 17016423; 11142771; 1712816; 8060156 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sato-Matsumura KC, Matsumura T, Nakamura H, Sawa H, Nagashima K, Koizumi H: Membrane expression of annexin I is enhanced by calcium and TPA in cultured human keratinocytes. Arch Dermatol Res. 2000 Oct;292(10):496-9.@@White MV, Igarashi Y, Lundgren JD, Shelhamer J, Kaliner M: Hydrocortisone inhibits rat basophilic leukemia cell mediator release induced by neutrophil-derived histamine releasing activity as well as by anti-IgE. J Immunol. 1991 Jul 15;147(2):667-73.@@Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72." Approved; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnenes; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](OC(=O)CCCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7509 Hydrocortisone_valerate CHEMBL1200562 DB14544 Hydrocortisone valerate BE0000794 NR3C1 P04150 GCR_HUMAN 16891588; 16895953; 16980198; 17038445; 17086345 "Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404." Approved; Vet_approved 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids "Pregnenes; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](OC(=O)CCCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 7509 Hydrocortisone_valerate CHEMBL1200562 DB14548 "Zinc sulfate, unspecified form" BE0004528 EEF1A1 P68104 EF1A1_HUMAN binder 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0002467 P4HB P07237 PDIA1_HUMAN binder 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0008980 PDIA3 P30101 PDIA3_HUMAN binder 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0005844 PRDX1 Q06830 PRDX1_HUMAN binder 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0004590 PSPH P78330 SERB_HUMAN binder 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0003844 TPI1 P60174 TPIS_HUMAN binder 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0004542 TUFM P49411 EFTU_HUMAN cofactor 14534351 "She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0000123 ESR1 P03372 ESR1_HUMAN binder 14640689 "Payne JC, Rous BW, Tenderholt AL, Godwin HA: Spectroscopic determination of the binding affinity of zinc to the DNA-binding domains of nuclear hormone receptors. Biochemistry. 2003 Dec 9;42(48):14214-24." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0005815 CCS O14618 CCS_HUMAN cofactor 15736924; 10677207 "Stasser JP, Eisses JF, Barry AN, Kaplan JH, Blackburn NJ: Cysteine-to-serine mutants of the human copper chaperone for superoxide dismutase reveal a copper cluster at a domain III dimer interface. Biochemistry. 2005 Mar 8;44(9):3143-52.@@Lamb AL, Wernimont AK, Pufahl RA, O'Halloran TV, Rosenzweig AC: Crystal structure of the second domain of the human copper chaperone for superoxide dismutase. Biochemistry. 2000 Feb 22;39(7):1589-95." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0002365 HDAC1 Q13547 HDAC1_HUMAN cofactor 16439135; 29616828 "Bhuiyan MP, Kato T, Okauchi T, Nishino N, Maeda S, Nishino TG, Yoshida M: Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Bioorg Med Chem. 2006 May 15;14(10):3438-46. Epub 2006 Jan 24.@@Zhang L, Zhang J, Jiang Q, Zhang L, Song W: Zinc binding groups for histone deacetylase inhibitors. J Enzyme Inhib Med Chem. 2018 Dec;33(1):714-721. doi: 10.1080/14756366.2017.1417274." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0003523 HDAC4 P56524 HDAC4_HUMAN cofactor 16439135; 29616828 "Bhuiyan MP, Kato T, Okauchi T, Nishino N, Maeda S, Nishino TG, Yoshida M: Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Bioorg Med Chem. 2006 May 15;14(10):3438-46. Epub 2006 Jan 24.@@Zhang L, Zhang J, Jiang Q, Zhang L, Song W: Zinc binding groups for histone deacetylase inhibitors. J Enzyme Inhib Med Chem. 2018 Dec;33(1):714-721. doi: 10.1080/14756366.2017.1417274." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0002390 SOD1 P00441 SODC_HUMAN cofactor 16583143 "Krishnan U, Son M, Rajendran B, Elliott JL: Novel mutations that enhance or repress the aggregation potential of SOD1. Mol Cell Biochem. 2006 Jul;287(1-2):201-11. Epub 2006 Apr 1." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0001608 HDAC8 Q9BY41 HDAC8_HUMAN cofactor 16681389 "Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0005834 SIVA1 O15304 SIVA_HUMAN binder 16683188 "Nestler M, Martin U, Hortschansky P, Saluz HP, Henke A, Munder T: The zinc containing pro-apoptotic protein siva interacts with the peroxisomal membrane protein pmp22. Mol Cell Biochem. 2006 Jul;287(1-2):147-55. Epub 2006 May 9." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0000433 GLRA1 P23415 GLRA1_HUMAN inhibitor 16842826 "Chen Z, Dillon GH, Huang R: Identification of residues critical for Cu2+-mediated inhibition of glycine alpha1 receptors. Neuropharmacology. 2006 Sep;51(4):701-8. Epub 2006 Jul 12." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0005835 UTRN P46939 UTRO_HUMAN cofactor 17009962 "Hnia K, Zouiten D, Cantel S, Chazalette D, Hugon G, Fehrentz JA, Masmoudi A, Diment A, Bramham J, Mornet D, Winder SJ: ZZ domain of dystrophin and utrophin: topology and mapping of a beta-dystroglycan interaction site. Biochem J. 2007 Feb 1;401(3):667-77." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0008994 TP73 O15350 P73_HUMAN chaperone 17170001 "Lokshin M, Li Y, Gaiddon C, Prives C: p53 and p73 display common and distinct requirements for sequence specific binding to DNA. Nucleic Acids Res. 2007;35(1):340-52. Epub 2006 Dec 14." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0003380 TP53 P04637 P53_HUMAN chaperone 17327663; 29843463 "Wang Y, Rosengarth A, Luecke H: Structure of the human p53 core domain in the absence of DNA. Acta Crystallogr D Biol Crystallogr. 2007 Mar;63(Pt 3):276-81. Epub 2007 Feb 21.@@Kogan S, Carpizo DR: Zinc Metallochaperones as Mutant p53 Reactivators: A New Paradigm in Cancer Therapeutics. Cancers (Basel). 2018 May 29;10(6). pii: cancers10060166. doi: 10.3390/cancers10060166." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0000910 A2M P01023 A2MG_HUMAN ligand 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0009048 AHSG P02765 FETUA_HUMAN chelator 90057 "Lebreton JP, Joisel F, Raoult JP, Lannuzel B, Rogez JP, Humbert G: Serum concentration of human alpha 2 HS glycoprotein during the inflammatory process: evidence that alpha 2 HS glycoprotein is a negative acute-phase reactant. J Clin Invest. 1979 Oct;64(4):1118-29. doi: 10.1172/JCI109551." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0009069 APOL1 O14791 APOL1_HUMAN inhibitor 29110762 "Olabisi OA, Heneghan JF: APOL1 Nephrotoxicity: What Does Ion Transport Have to Do With It? Semin Nephrol. 2017 Nov;37(6):546-551. doi: 10.1016/j.semnephrol.2017.07.008." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0001529 C1S P09871 C1S_HUMAN modulator 7332580 Boyle MD: Inhibition by zinc of the binding of C1 to antigen-antibody complexes. Biochem Biophys Res Commun. 1981 Dec 15;103(3):856-62. doi: 10.1016/0006-291x(81)90889-5. Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0003455 C3 P01024 CO3_HUMAN inhibitor 23896426; 25393287 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Smailhodzic D, van Asten F, Blom AM, Mohlin FC, den Hollander AI, van de Ven JP, van Huet RA, Groenewoud JM, Tian Y, Berendschot TT, Lechanteur YT, Fauser S, de Bruijn C, Daha MR, van der Wilt GJ, Hoyng CB, Klevering BJ: Zinc supplementation inhibits complement activation in age-related macular degeneration. PLoS One. 2014 Nov 13;9(11):e112682. doi: 10.1371/journal.pone.0112682. eCollection 2014." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0004686 C4B P0C0L5 CO4B_HUMAN modulator 14522582 "Blom AM, Kask L, Ramesh B, Hillarp A: Effects of zinc on factor I cofactor activity of C4b-binding protein and factor H. Arch Biochem Biophys. 2003 Oct 15;418(2):108-18." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0000855 C5 P01031 CO5_HUMAN ligand 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0009071 BRCC3 P46736 BRCC3_HUMAN cofactor 26344097 "Zeqiraj E, Tian L, Piggott CA, Pillon MC, Duffy NM, Ceccarelli DF, Keszei AF, Lorenzen K, Kurinov I, Orlicky S, Gish GD, Heck AJ, Guarne A, Greenberg RA, Sicheri F: Higher-Order Assembly of BRCC36-KIAA0157 Is Required for DUB Activity and Biological Function. Mol Cell. 2015 Sep 17;59(6):970-83. doi: 10.1016/j.molcel.2015.07.028. Epub 2015 Sep 3." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0009053 CFH P08603 CFAH_HUMAN ligand 21396937 "Nan R, Farabella I, Schumacher FF, Miller A, Gor J, Martin AC, Jones DT, Lengyel I, Perkins SJ: Zinc binding to the Tyr402 and His402 allotypes of complement factor H: possible implications for age-related macular degeneration. J Mol Biol. 2011 May 13;408(4):714-35. doi: 10.1016/j.jmb.2011.03.006. Epub 2011 Mar 17." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0001140 CP P00450 CERU_HUMAN ligand 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0003504 CPN2 P22792 CPN2_HUMAN cofactor 18039526 "Skidgel RA, Erdos EG: Structure and function of human plasma carboxypeptidase N, the anaphylatoxin inactivator. Int Immunopharmacol. 2007 Dec 20;7(14):1888-99. doi: 10.1016/j.intimp.2007.07.014. Epub 2007 Aug 15." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0001180 FN1 P02751 FINC_HUMAN modulator 23896426; 20541508 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Graille M, Pagano M, Rose T, Ravaux MR, van Tilbeurgh H: Zinc induces structural reorganization of gelatin binding domain from human fibronectin and affects collagen binding. Structure. 2010 Jun 9;18(6):710-8. doi: 10.1016/j.str.2010.03.012." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0009081 ITIH3 Q06033 ITIH3_HUMAN binder 23896426; 6164311 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Salier JP, Martin JP, Lambin P, McPhee H, Hochstrasser K: Purification of the human serum inter-alpha-trypsin inhibitor by zinc chelate and hydrophobic interaction chromatographies. Anal Biochem. 1980 Dec;109(2):273-83. doi: 10.1016/0003-2697(80)90649-1." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0002440 KLKB1 P03952 KLKB1_HUMAN inhibitor 23896426; 20615447 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Goettig P, Magdolen V, Brandstetter H: Natural and synthetic inhibitors of kallikrein-related peptidases (KLKs). Biochimie. 2010 Nov;92(11):1546-67. doi: 10.1016/j.biochi.2010.06.022. Epub 2010 Jul 6." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0004613 PGLYRP2 Q96PD5 PGRP2_HUMAN binder 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0000930 PON1 P27169 PON1_HUMAN inducer 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0005533 SEPP1 P49908 SEPP1_HUMAN binder 23896426; 23652332 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Du X, Li H, Wang Z, Qiu S, Liu Q, Ni J: Selenoprotein P and selenoprotein M block Zn2+ -mediated Abeta42 aggregation and toxicity. Metallomics. 2013 Jun;5(7):861-70. doi: 10.1039/c3mt20282h." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0000775 SERPIND1 P05546 HEP2_HUMAN agonist 12706831 "Eckert R, Ragg H: Zinc ions promote the interaction between heparin and heparin cofactor II. FEBS Lett. 2003 Apr 24;541(1-3):121-5." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0000685 SHBG P04278 SHBG_HUMAN modulator 23896426; 12943704 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Hammond GL, Avvakumov GV, Muller YA: Structure/function analyses of human sex hormone-binding globulin: effects of zinc on steroid-binding specificity. J Steroid Biochem Mol Biol. 2003 Jun;85(2-5):195-200. doi: 10.1016/s0960-0760(03)00195-x." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0000337 TTR P02766 TTHY_HUMAN inducer 23896426; 22120741 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Castro-Rodrigues AF, Gales L, Saraiva MJ, Damas AM: Structural insights into a zinc-dependent pathway leading to Leu55Pro transthyretin amyloid fibrils. Acta Crystallogr D Biol Crystallogr. 2011 Dec;67(Pt 12):1035-44. doi: 10.1107/S090744491104491X. Epub 2011 Nov 5." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0009093 APLP2 Q06481 APLP2_HUMAN ligand 24855651 "Mayer MC, Kaden D, Schauenburg L, Hancock MA, Voigt P, Roeser D, Barucker C, Than ME, Schaefer M, Multhaup G: Novel zinc-binding site in the E2 domain regulates amyloid precursor-like protein 1 (APLP1) oligomerization. J Biol Chem. 2014 Jul 4;289(27):19019-30. doi: 10.1074/jbc.M114.570382. Epub 2014 May 22." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0003392 APP P05067 A4_HUMAN ligand 24855651 "Mayer MC, Kaden D, Schauenburg L, Hancock MA, Voigt P, Roeser D, Barucker C, Than ME, Schaefer M, Multhaup G: Novel zinc-binding site in the E2 domain regulates amyloid precursor-like protein 1 (APLP1) oligomerization. J Biol Chem. 2014 Jul 4;289(27):19019-30. doi: 10.1074/jbc.M114.570382. Epub 2014 May 22." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0001717 PARP1 P09874 PARP1_HUMAN component of 25549802 "Bossak K, Goch W, Piatek K, Fraczyk T, Poznanski J, Bonna A, Keil C, Hartwig A, Bal W: Unusual Zn(II) Affinities of Zinc Fingers of Poly(ADP-ribose)Polymerase 1 (PARP-1) Nuclear Protein. Chem Res Toxicol. 2015 Feb 16;28(2):191-201." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0009909 HPX P02790 HEMO_HUMAN ligand 23896426 "Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0001021 F11 P03951 FA11_HUMAN activator 17968515 "Tubek S, Grzanka P, Tubek I: Role of zinc in hemostasis: a review. Biol Trace Elem Res. 2008 Jan;121(1):1-8. doi: 10.1007/s12011-007-8038-y. Epub 2007 Oct 30." Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14548 "Zinc sulfate, unspecified form" BE0009915 APOBEC1 P41238 ABEC1_HUMAN cofactor 27869537 Smith HC: RNA binding to APOBEC deaminases; Not simply a substrate for C to U editing. RNA Biol. 2017 Sep 2;14(9):1153-1165. doi: 10.1080/15476286.2016.1259783. Epub 2016 Nov 21. Approved; Experimental Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives DB14562 Andexanet alfa BE0000967 TFPI P10646 TFPI1_HUMAN inhibitor Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Peptide Hydrolases; Biological Factors; Antidotes; Hydrolases; Coagulants; Enzymes and Coenzymes; Serine Proteases; Endopeptidases; Proteins; Blood Coagulation Factors; Blood Proteins; Factor X; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes" 23854 Andexanet_alfa 2045114 DB14568 Ivosidenib BE0001251 IDH1 O75874 IDHC_HUMAN inhibitor 31413655; 33457062 "Megias-Vericat JE, Ballesta-Lopez O, Barragan E, Montesinos P: IDH1-mutated relapsed or refractory AML: current challenges and future prospects. Blood Lymphat Cancer. 2019 Jun 27;9:19-32. doi: 10.2147/BLCTT.S177913. eCollection 2019.@@Merchant SL, Culos K, Wyatt H: Ivosidenib: IDH1 Inhibitor for the Treatment of Acute Myeloid Leukemia. J Adv Pract Oncol. 2019 Jul;10(5):494-500. doi: 10.6004/jadpro.2019.10.5.7. Epub 2019 Jul 1." Approved; Investigational Proline and derivatives "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Amino Acids; Isocitrate dehydrogenase-1 (IDH1) inhibitors; Isocitrate Dehydrogenase 1 Inhibitor; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Isocitrate Dehydrogenase-1 Inhibitors" [H][C@@](N(C(=O)[C@]1([H])CCC(=O)N1C1=NC=CC(=C1)C#N)C1=CC(F)=CN=C1)(C(=O)NC1CC(F)(F)C1)C1=C(Cl)C=CC=C1 Ivosidenib CHEMBL3989958 2049873 DB14580 Lecanemab BE0003392 APP P05067 A4_HUMAN binder 27048170; 33865446 "Logovinsky V, Satlin A, Lai R, Swanson C, Kaplow J, Osswald G, Basun H, Lannfelt L: Safety and tolerability of BAN2401--a clinical study in Alzheimer's disease with a protofibril selective Abeta antibody. Alzheimers Res Ther. 2016 Apr 6;8(1):14. doi: 10.1186/s13195-016-0181-2.@@Swanson CJ, Zhang Y, Dhadda S, Wang J, Kaplow J, Lai RYK, Lannfelt L, Bradley H, Rabe M, Koyama A, Reyderman L, Berry DA, Berry S, Gordon R, Kramer LD, Cummings JL: A randomized, double-blind, phase 2b proof-of-concept clinical trial in early Alzheimer's disease with lecanemab, an anti-Abeta protofibril antibody. Alzheimers Res Ther. 2021 Apr 17;13(1):80. doi: 10.1186/s13195-021-00813-8." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Globulins; Amyloid Beta-directed Antibodies; Immunoproteins; Alzheimer Disease, drug therapy; Proteins; Alzheimer Disease; Blood Proteins; Amino Acids, Peptides, and Proteins" Lecanemab 2626143 DB14581 CPI-1205 BE0009562 EZH2 Q15910 EZH2_HUMAN inhibitor 27739677 "Vaswani RG, Gehling VS, Dakin LA, Cook AS, Nasveschuk CG, Duplessis M, Iyer P, Balasubramanian S, Zhao F, Good AC, Campbell R, Lee C, Cantone N, Cummings RT, Normant E, Bellon SF, Albrecht BK, Harmange JC, Trojer P, Audia JE, Zhang Y, Justin N, Chen S, Wilson JR, Gamblin SJ: Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1 -(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas. J Med Chem. 2016 Nov 10;59(21):9928-9941. doi: 10.1021/acs.jmedchem.6b01315. Epub 2016 Oct 28." Investigational "Enzyme Inhibitors; Heterocyclic Compounds, Fused-Ring" COC1=C(CNC(=O)C2=C(C)N([C@H](C)C3CCN(CC(F)(F)F)CC3)C3=CC=CC=C23)C(=O)NC(C)=C1 DB14583 Segesterone acetate BE0000557 PGR P06401 PRGR_HUMAN agonist 27824503; 19434887; 11108869 "Kumar N, Fagart J, Liere P, Mitchell SJ, Knibb AR, Petit-Topin I, Rame M, El-Etr M, Schumacher M, Lambert JJ, Rafestin-Oblin ME, Sitruk-Ware R: Nestorone(R) as a Novel Progestin for Nonoral Contraception: Structure-Activity Relationships and Brain Metabolism Studies. Endocrinology. 2017 Jan 1;158(1):170-182. doi: 10.1210/en.2016-1426.@@Sitruk-Ware R: Pharmacological profile of progestins. Maturitas. 2008 Sep-Oct;61(1-2):151-7.@@Kumar N, Koide SS, Tsong Y, Sundaram K: Nestorone: a progestin with a unique pharmacological profile. Steroids. 2000 Oct-Nov;65(10-11):629-36." Approved; Experimental; Investigational "Norsteroids; Pregnenes; Intravaginal Contraceptives; Contraceptive Devices, Female; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Steroids; Hormones; Norpregnanes; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Norpregnatrienes; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Estrogenic Steroids, Alkylated; Gonadal Steroid Hormones; Pharmaceutical Preparations; Drug Implants; Contraceptive Agents, Female; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC(=C)[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Segesterone_acetate CHEMBL3707377 2055977 DB14583 Segesterone acetate BE0000132 AR P10275 ANDR_HUMAN agonist 11108869 "Kumar N, Koide SS, Tsong Y, Sundaram K: Nestorone: a progestin with a unique pharmacological profile. Steroids. 2000 Oct-Nov;65(10-11):629-36." Approved; Experimental; Investigational "Norsteroids; Pregnenes; Intravaginal Contraceptives; Contraceptive Devices, Female; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Steroids; Hormones; Norpregnanes; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Norpregnatrienes; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Estrogenic Steroids, Alkylated; Gonadal Steroid Hormones; Pharmaceutical Preparations; Drug Implants; Contraceptive Agents, Female; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC(=C)[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Segesterone_acetate CHEMBL3707377 2055977 DB14583 Segesterone acetate BE0000794 NR3C1 P04150 GCR_HUMAN agonist 19434887 Sitruk-Ware R: Pharmacological profile of progestins. Maturitas. 2008 Sep-Oct;61(1-2):151-7. Approved; Experimental; Investigational "Norsteroids; Pregnenes; Intravaginal Contraceptives; Contraceptive Devices, Female; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Steroids; Hormones; Norpregnanes; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Norpregnatrienes; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Estrogenic Steroids, Alkylated; Gonadal Steroid Hormones; Pharmaceutical Preparations; Drug Implants; Contraceptive Agents, Female; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC(=C)[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Segesterone_acetate CHEMBL3707377 2055977 DB14597 Lanadelumab BE0002440 KLKB1 P03952 KLKB1_HUMAN inhibitor 27960628; 29043014; 28225674; 31657963 "Reichert JM: Antibodies to watch in 2017. MAbs. 2017 Feb/Mar;9(2):167-181. doi: 10.1080/19420862.2016.1269580. Epub 2016 Dec 14.@@Riedl MA, Bernstein JA, Craig T, Banerji A, Magerl M, Cicardi M, Longhurst HJ, Shennak MM, Yang WH, Schranz J, Baptista J, Busse PJ: An open-label study to evaluate the long-term safety and efficacy of lanadelumab for prevention of attacks in hereditary angioedema: design of the HELP study extension. Clin Transl Allergy. 2017 Oct 6;7:36. doi: 10.1186/s13601-017-0172-9. eCollection 2017.@@Banerji A, Busse P, Shennak M, Lumry W, Davis-Lorton M, Wedner HJ, Jacobs J, Baker J, Bernstein JA, Lockey R, Li HH, Craig T, Cicardi M, Riedl M, Al-Ghazawi A, Soo C, Iarrobino R, Sexton DJ, TenHoor C, Kenniston JA, Faucette R, Still JG, Kushner H, Mensah R, Stevens C, Biedenkapp JC, Chyung Y, Adelman B: Inhibiting Plasma Kallikrein for Hereditary Angioedema Prophylaxis. N Engl J Med. 2017 Feb 23;376(8):717-728. doi: 10.1056/NEJMoa1605767.@@Wu MA: Lanadelumab for the treatment of hereditary angioedema. Expert Opin Biol Ther. 2019 Dec;19(12):1233-1245. doi: 10.1080/14712598.2019.1685490. Epub 2019 Nov 4." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Drugs Used in Hereditary Angioedema; Immunoglobulins; Serum Globulins; Kallikrein Inhibitors; Blood and Blood Forming Organs; Immunoproteins; Antibodies, Monoclonal, Humanized; Plasma Kallikrein Inhibitor; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 22978 Lanadelumab 2055640 DB14631 Prednisolone phosphate BE0000794 NR3C1 P04150 GCR_HUMAN agonist 15634032 "Czock D, Keller F, Rasche FM, Haussler U: Pharmacokinetics and pharmacodynamics of systemically administered glucocorticoids. Clin Pharmacokinet. 2005;44(1):61-98. doi: 10.2165/00003088-200544010-00003." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Pregnadienetriols; Steroids; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Adrenals; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7630 Prednisolone_sodium_phosphate CHEMBL1201231 DB14631 Prednisolone phosphate BE0000422 ANXA1 P04083 ANXA1_HUMAN ligand 8060156 "Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Pregnadienetriols; Steroids; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Adrenals; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7630 Prednisolone_sodium_phosphate CHEMBL1201231 DB14635 Curcumin sulfate BE0000215 PPARG P37231 PPARG_HUMAN 15713005 "Nishiyama T, Mae T, Kishida H, Tsukagawa M, Mimaki Y, Kuroda M, Sashida Y, Takahashi K, Kawada T, Nakagawa K, Kitahara M: Curcuminoids and sesquiterpenoids in turmeric (Curcuma longa L.) suppress an increase in blood glucose level in type 2 diabetic KK-Ay mice. J Agric Food Chem. 2005 Feb 23;53(4):959-63." Experimental Curcuminoids Organic compounds; Phenylpropanoids and polyketides; Diarylheptanoids; Linear diarylheptanoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(OS(O)(=O)=O)C(OC)=C2)=CC=C1O DB14635 Curcumin sulfate BE0000779 VDR P11473 VDR_HUMAN 20153625 "Bartik L, Whitfield GK, Kaczmarska M, Lowmiller CL, Moffet EW, Furmick JK, Hernandez Z, Haussler CA, Haussler MR, Jurutka PW: Curcumin: a novel nutritionally derived ligand of the vitamin D receptor with implications for colon cancer chemoprevention. J Nutr Biochem. 2010 Dec;21(12):1153-61. doi: 10.1016/j.jnutbio.2009.09.012. Epub 2010 Feb 12." Experimental Curcuminoids Organic compounds; Phenylpropanoids and polyketides; Diarylheptanoids; Linear diarylheptanoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(OS(O)(=O)=O)C(OC)=C2)=CC=C1O DB14635 Curcumin sulfate BE0003639 ABCC5 O15440 MRP5_HUMAN 23978416 Prehm P: Curcumin analogue identified as hyaluronan export inhibitor by virtual docking to the ABC transporter MRP5. Food Chem Toxicol. 2013 Dec;62:76-81. doi: 10.1016/j.fct.2013.08.028. Epub 2013 Aug 24. Experimental Curcuminoids Organic compounds; Phenylpropanoids and polyketides; Diarylheptanoids; Linear diarylheptanoids Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(OS(O)(=O)=O)C(OC)=C2)=CC=C1O DB14639 Boldenone undecylenate BE0000132 AR P10275 ANDR_HUMAN 17139284; 17016423; 17386710 "Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Merlanti R, Gallina G, Capolongo F, Contiero L, Biancotto G, Dacasto M, Montesissa C: An in vitro study on metabolism of 17beta-boldenone and boldione using cattle liver and kidney subcellular fractions. Anal Chim Acta. 2007 Mar 14;586(1-2):177-83. Epub 2006 Dec 10." Illicit; Vet_approved Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters "Fused-Ring Compounds; Androstenols; Gonadal Steroid Hormones; Gonadal Hormones; Androstanes; Steroids; Androstenes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C Boldenone_undecylenate CHEMBL2106059 DB14641 Estriol tripropionate BE0000123 ESR1 P03372 ESR1_HUMAN 2011412; 11752352 "Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5." Experimental Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters [H][C@]1(C[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)CC)=CC=C4[C@@]3([H])CC[C@]2(C)[C@@]1([H])OC(=O)CC)OC(=O)CC Estriol_tripropionate CHEMBL3559901 DB14641 Estriol tripropionate BE0000792 ESR2 Q92731 ESR2_HUMAN 16199482 "Mishra RG, Stanczyk FZ, Burry KA, Oparil S, Katzenellenbogen BS, Nealen ML, Katzenellenbogen JA, Hermsmeyer RK: Metabolite ligands of estrogen receptor-beta reduce primate coronary hyperreactivity. Am J Physiol Heart Circ Physiol. 2006 Jan;290(1):H295-303. Epub 2005 Sep 30." Experimental Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters [H][C@]1(C[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)CC)=CC=C4[C@@]3([H])CC[C@]2(C)[C@@]1([H])OC(=O)CC)OC(=O)CC Estriol_tripropionate CHEMBL3559901 DB14641 Estriol tripropionate BE0000685 SHBG P04278 SHBG_HUMAN 25349334 "Hong H, Branham WS, Ng HW, Moland CL, Dial SL, Fang H, Perkins R, Sheehan D, Tong W: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and alpha-fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27." Experimental Steroid esters Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters [H][C@]1(C[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)CC)=CC=C4[C@@]3([H])CC[C@]2(C)[C@@]1([H])OC(=O)CC)OC(=O)CC Estriol_tripropionate CHEMBL3559901 DB14642 Lypressin BE0000165 AVPR1A P37288 V1AR_HUMAN 17275806; 16532916; 16511036; 16011575; 17303660 "Hiroyama M, Wang S, Aoyagi T, Oikawa R, Sanbe A, Takeo S, Tanoue A: Vasopressin promotes cardiomyocyte hypertrophy via the vasopressin V1A receptor in neonatal mice. Eur J Pharmacol. 2007 Mar 22;559(2-3):89-97. Epub 2006 Dec 29.@@Liedman R, Grant L, Igidbashian S, James I, McLeod A, Skillern L, Akerlund M: Intrauterine pressure, ischemia markers, and experienced pain during administration of a vasopressin V1a receptor antagonist in spontaneous and vasopressin-induced dysmenorrhea. Acta Obstet Gynecol Scand. 2006;85(2):207-11.@@Adikesavan NV, Mahmood SS, Stanley N, Xu Z, Wu N, Thibonnier M, Shoham M: A C-terminal segment of the V1R vasopressin receptor is unstructured in the crystal structure of its chimera with the maltose-binding protein. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2005 Apr 1;61(Pt 4):341-5. Epub 2005 Mar 24.@@Hammock EA, Lim MM, Nair HP, Young LJ: Association of vasopressin 1a receptor levels with a regulatory microsatellite and behavior. Genes Brain Behav. 2005 Jul;4(5):289-301.@@Aoyagi T, Birumachi J, Hiroyama M, Fujiwara Y, Sanbe A, Yamauchi J, Tanoue A: Alteration of glucose homeostasis in V1a vasopressin receptor-deficient mice. Endocrinology. 2007 May;148(5):2075-84. Epub 2007 Feb 15." Approved Oligopeptides "Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues" "Vasopressin and Analogues; Pituitary Hormones, Posterior; Amino Acids, Peptides, and Proteins; Cardiovascular Agents; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Nerve Tissue Proteins; Coagulants; Vasoconstrictor Agents; Proteins; Hormones; Antidiuretic Agents; Oligopeptides; Posterior Pituitary Lobe Hormones; Hemostatics; Neuropeptides; Peptides; Natriuretic Agents; Vasopressins; Peptide Hormones; Hematologic Agents; Pituitary Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" [H]N([H])C(=O)C[C@]1([H])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)NC([H])(CCCCN)C(=O)NCC(N)=O Vasopressin CHEMBL1200690 DB14649 Dexamethasone acetate BE0000794 NR3C1 P04150 GCR_HUMAN agonist 16835395; 16891588; 16956592; 16963802; 16971495 "Warne JP, John CD, Christian HC, Morris JF, Flower RJ, Sugden D, Solito E, Gillies GE, Buckingham JC: Gene deletion reveals roles for annexin A1 in the regulation of lipolysis and IL-6 release in epididymal adipose tissue. Am J Physiol Endocrinol Metab. 2006 Dec;291(6):E1264-73. Epub 2006 Jul 11.@@Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Funato H, Kobayashi A, Watanabe Y: Differential effects of antidepressants on dexamethasone-induced nuclear translocation and expression of glucocorticoid receptor. Brain Res. 2006 Oct 30;1117(1):125-34. Epub 2006 Sep 7.@@Vaitkuviene A, Ulinskaite A, Meskys R, Duburs G, Klusa V, Liutkevicius E: Study of the interaction of 1,4-dihydropyridine derivatives with glucocorticoid hormone receptors from the rat liver. Pharmacol Rep. 2006 Jul-Aug;58(4):551-8.@@Wang D, Zhang H, Lang F, Yun CC: Acute activation of NHE3 by dexamethasone correlates with activation of SGK1 and requires a functional glucocorticoid receptor. Am J Physiol Cell Physiol. 2007 Jan;292(1):C396-404. Epub 2006 Sep 13." Approved; Investigational; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Pregnadienes; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP3A4 Inducers (moderate); Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); P-glycoprotein substrates; Pregnadienetriols; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A5 Inducers (moderate); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes" [H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C D07796 Dexamethasone_acetate CHEMBL1530428 DB14649 Dexamethasone acetate BE0000422 ANXA1 P04083 ANXA1_HUMAN agonist 16883066; 17076770; 17158208; 17644190 "Morand EF, Hall P, Hutchinson P, Yang YH: Regulation of annexin I in rheumatoid synovial cells by glucocorticoids and interleukin-1. Mediators Inflamm. 2006;2006(2):73835.@@John CD, Theogaraj E, Christian HC, Morris JF, Smith SF, Buckingham JC: Time-specific effects of perinatal glucocorticoid treatment on anterior pituitary morphology, annexin 1 expression and adrenocorticotrophic hormone secretion in the adult female rat. J Neuroendocrinol. 2006 Dec;18(12):949-59.@@Davies E, Omer S, Buckingham JC, Morris JF, Christian HC: Expression and externalization of annexin 1 in the adrenal gland: structure and function of the adrenal gland in annexin 1-null mutant mice. Endocrinology. 2007 Mar;148(3):1030-8. Epub 2006 Dec 7.@@Wang C, Wang J, Guo HF, Liu RY: Involvement of annexin I in the dexamethasone-mediated upregulation of A549 cells phagocytosis of apoptotic eosinophils. Immunol Lett. 2007 Aug 15;111(2):103-10. Epub 2007 Jul 2." Approved; Investigational; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Pregnadienes; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP3A4 Inducers (moderate); Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); P-glycoprotein substrates; Pregnadienetriols; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A5 Inducers (moderate); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes" [H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C D07796 Dexamethasone_acetate CHEMBL1530428 DB14649 Dexamethasone acetate BE0000005 NOS2 P35228 NOS2_HUMAN negative modulator 17379310; 17494951; 17503181 "Soderberg M, Raffalli-Mathieu F, Lang MA: Regulation of the murine inducible nitric oxide synthase gene by dexamethasone involves a heterogeneous nuclear ribonucleoprotein I (hnRNPI) dependent pathway. Mol Immunol. 2007 May;44(12):3204-10. Epub 2007 Mar 26.@@Huang H, Lavoie-Lamoureux A, Moran K, Lavoie JP: IL-4 stimulates the expression of CXCL-8, E-selectin, VEGF, and inducible nitric oxide synthase mRNA by equine pulmonary artery endothelial cells. Am J Physiol Lung Cell Mol Physiol. 2007 May;292(5):L1147-54.@@Nandi J, Saud B, Zinkievich JM, Palma DT, Levine RA: 5-aminosalicylic acid improves indomethacin-induced enteropathy by inhibiting iNOS transcription in rats. Dig Dis Sci. 2008 Jan;53(1):123-32. Epub 2007 May 15." Approved; Investigational; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "Pregnadienes; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP3A4 Inducers (moderate); Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); P-glycoprotein substrates; Pregnadienetriols; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A5 Inducers (moderate); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes" [H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C D07796 Dexamethasone_acetate CHEMBL1530428 DB14669 Betamethasone phosphate BE0000794 NR3C1 P04150 GCR_HUMAN agonist 15634032 "Czock D, Keller F, Rasche FM, Haussler U: Pharmacokinetics and pharmacodynamics of systemically administered glucocorticoids. Clin Pharmacokinet. 2005;44(1):61-98. doi: 10.2165/00003088-200544010-00003." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Pregnadienetriols; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@H](C)[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Betamethasone_phosphate CHEMBL1201207 DB14669 Betamethasone phosphate BE0000422 ANXA1 P04083 ANXA1_HUMAN agonist 8060156 "Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids "OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Pregnadienetriols; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@H](C)[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Betamethasone_phosphate CHEMBL1201207 DB14672 Oxazepam acetate BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Experimental "1,4-benzodiazepines" "Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines" "Benzazepines; Heterocyclic Compounds, Fused-Ring; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants" CC(=O)OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O CHEMBL146245 DB14700 Damoctocog alfa pegol BE0000016 F8 P00451 FA8_HUMAN binder 29765290; 29899890; 27434619; 20194895 "Graf L: Extended Half-Life Factor VIII and Factor IX Preparations. Transfus Med Hemother. 2018 Apr;45(2):86-91. doi: 10.1159/000488060. Epub 2018 Mar 21.@@Morfini M, Gherardini S: Pharmacokinetic-based prediction of real-life dosing of extended half-life clotting factor concentrates on hemophilia. Ther Adv Hematol. 2018 Jun;9(6):149-162. doi: 10.1177/2040620718774258. Epub 2018 Jun 5.@@Klamroth R, Simpson M, von Depka-Prondzinski M, Gill JC, Morfini M, Powell JS, Santagostino E, Davis J, Huth-Kuhne A, Leissinger C, Neumeister P, Bensen-Kennedy D, Feussner A, Limsakun T, Zhou M, Veldman A, St Ledger K, Blackman N, Pabinger I: Comparative pharmacokinetics of rVIII-SingleChain and octocog alfa (Advate((R)) ) in patients with severe haemophilia A. Haemophilia. 2016 Sep;22(5):730-8. doi: 10.1111/hae.12985. Epub 2016 Jul 19.@@Mei B, Pan C, Jiang H, Tjandra H, Strauss J, Chen Y, Liu T, Zhang X, Severs J, Newgren J, Chen J, Gu JM, Subramanyam B, Fournel MA, Pierce GF, Murphy JE: Rational design of a fully active, long-acting PEGylated factor VIII for hemophilia A treatment. Blood. 2010 Jul 15;116(2):270-9. doi: 10.1182/blood-2009-11-254755. Epub 2010 Mar 1." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Pegylated agents; Blood Coagulation Factors 23004 Damoctocog_alfa_pegol 2055655 DB14715 Cinazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Experimental "Benzazepines; Heterocyclic Compounds, Fused-Ring; Central Nervous System Depressants; Benzodiazepines and benzodiazepine derivatives" OC(=O)CCC(=O)OC1N=C(C2=CC=CC=C2Cl)C2=CC(Br)=CC=C2NC1=O Cinazepam CHEMBL1095299 DB14719 Bentazepam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 23038269; 29950725 "Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27." Experimental Anti-Anxiety Agents; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Hypnotics and Sedatives; Nervous System; Psycholeptics O=C1CN=C(C2=C(N1)SC1=C2CCCC1)C1=CC=CC=C1 D03083 Bentazepam CHEMBL1521495 DB14723 Larotrectinib BE0001039 NTRK1 P04629 NTRK1_HUMAN inhibitor Approved; Investigational BCRP/ABCG2 Substrates; Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Tropomyosin Receptor Kinases Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors O[C@H]1CCN(C1)C(=O)NC1=C2N=C(C=CN2N=C1)N1CCC[C@@H]1C1=C(F)C=CC(F)=C1 23320 Larotrectinib CHEMBL3889654 2105628 DB14723 Larotrectinib BE0003605 NTRK2 Q16620 NTRK2_HUMAN inhibitor Approved; Investigational BCRP/ABCG2 Substrates; Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Tropomyosin Receptor Kinases Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors O[C@H]1CCN(C1)C(=O)NC1=C2N=C(C=CN2N=C1)N1CCC[C@@H]1C1=C(F)C=CC(F)=C1 23320 Larotrectinib CHEMBL3889654 2105628 DB14723 Larotrectinib BE0009501 NTRK3 Q16288 NTRK3_HUMAN inhibitor Approved; Investigational BCRP/ABCG2 Substrates; Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Tropomyosin Receptor Kinases Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors O[C@H]1CCN(C1)C(=O)NC1=C2N=C(C=CN2N=C1)N1CCC[C@@H]1C1=C(F)C=CC(F)=C1 23320 Larotrectinib CHEMBL3889654 2105628 DB14738 Turoctocog alfa pegol BE0000216 F10 P00742 FA10_HUMAN activator Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Biological Factors; Hemostatics; Factor VIII; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins" 23316 Turoctocog_alfa DB14738 Turoctocog alfa pegol BE0001043 VWF P04275 VWF_HUMAN binder 17425686 "Lenting PJ, VAN Schooten CJ, Denis CV: Clearance mechanisms of von Willebrand factor and factor VIII. J Thromb Haemost. 2007 Jul;5(7):1353-60. doi: 10.1111/j.1538-7836.2007.02572.x. Epub 2007 Apr 7." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Biological Factors; Hemostatics; Factor VIII; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins" 23316 Turoctocog_alfa DB14740 Hyaluronidase BE0000984 TGFB1 P01137 TGFB1_HUMAN inhibitor 11327694; 7648625; 9435505; 9850732 "Chang NS: Hyaluronidase activation of c-Jun N-terminal kinase is necessary for protection of L929 fibrosarcoma cells from staurosporine-mediated cell death. Biochem Biophys Res Commun. 2001 May 4;283(2):278-86.@@Locci P, Marinucci L, Lilli C, Martinese D, Becchetti E: Transforming growth factor beta 1-hyaluronic acid interaction. Cell Tissue Res. 1995 Aug;281(2):317-24.@@Chang NS: Hyaluronidase enhancement of TNF-mediated cell death is reversed by TGF-beta 1. Am J Physiol. 1997 Dec;273(6 Pt 1):C1987-94.@@Chang NS: Transforming growth factor-beta protection of cancer cells against tumor necrosis factor cytotoxicity is counteracted by hyaluronidase (review). Int J Mol Med. 1998 Dec;2(6):653-9." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Lyases; Polysaccharide-Lyases; Glycoside Hydrolases; Carbon-Oxygen Lyases; Blood and Blood Forming Organs; Enzymes and Coenzymes; Hydrolases; Hyaluronoglucosaminidase, antagonists & inhibitors; Enzymes" 6039 D04456 Hyaluronidase 578350 DB14751 Mecasermin rinfabate BE0000858 IGF1R P08069 IGF1R_HUMAN agonist 19198769 Rosenbloom AL: Mecasermin (recombinant human insulin-like growth factor I). Adv Ther. 2009 Jan;26(1):40-54. doi: 10.1007/s12325-008-0136-5. Epub 2009 Jan 28. Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Somatropin and Somatropin Agonists; Anterior Pituitary Lobe Hormones and Analogues; Pituitary and Hypothalamic Hormones and Analogues" Mecasermin_rinfabate 616877 DB14751 Mecasermin rinfabate BE0000033 INSR P06213 INSR_HUMAN 19198769 Rosenbloom AL: Mecasermin (recombinant human insulin-like growth factor I). Adv Ther. 2009 Jan;26(1):40-54. doi: 10.1007/s12325-008-0136-5. Epub 2009 Jan 28. Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Somatropin and Somatropin Agonists; Anterior Pituitary Lobe Hormones and Analogues; Pituitary and Hypothalamic Hormones and Analogues" Mecasermin_rinfabate 616877 DB14751 Mecasermin rinfabate BE0003623 IGF2R P11717 MPRI_HUMAN 19198769 Rosenbloom AL: Mecasermin (recombinant human insulin-like growth factor I). Adv Ther. 2009 Jan;26(1):40-54. doi: 10.1007/s12325-008-0136-5. Epub 2009 Jan 28. Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Somatropin and Somatropin Agonists; Anterior Pituitary Lobe Hormones and Analogues; Pituitary and Hypothalamic Hormones and Analogues" Mecasermin_rinfabate 616877 DB14766 Etrasimod BE0002432 S1PR5 Q9H228 S1PR5_HUMAN modulator Approved "Fatty Acids, Volatile; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Lipids; Cytochrome P-450 CYP3A Substrates; Acids, Acyclic; Fatty Acids; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C8 Substrates" OC(=O)C[C@H]1CCC2=C1NC1=C2C=C(OCC2=CC(=C(C=C2)C2CCCC2)C(F)(F)F)C=C1 Etrasimod CHEMBL3358920 2668045 DB14776 Camrelizumab BE0003441 CD274 Q9NZQ7 PD1L1_HUMAN inhibitor 33807678 "Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186." Investigational "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Immune Checkpoint Inhibitors; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" Camrelizumab DB14785 Fenebrutinib BE0001284 BTK Q06187 BTK_HUMAN inhibitor 33689480 "Zheng TJ, Lofurno ER, Melrose AR, Lakshmanan HHS, Pang J, Phillips KG, Fallon ME, Kohs TCL, Ngo ATP, Shatzel JJ, Hinds MT, McCarty OJT, Aslan JE: Assessment of the effects of Syk and BTK inhibitors on GPVI-mediated platelet signaling and function. Am J Physiol Cell Physiol. 2021 May 1;320(5):C902-C915. doi: 10.1152/ajpcell.00296.2020. Epub 2021 Mar 10." Investigational Pyridines C[C@H]1CN(CCN1C1=CC=C(NC2=CC(=CN(C)C2=O)C2=C(CO)C(=NC=C2)N2CCN3C4=C(CC(C)(C)C4)C=C3C2=O)N=C1)C1COC1 CHEMBL4065122 DB14805 Piflufolastat F 18 BE0000568 FOLH1 Q04609 FOLH1_HUMAN binder 23256224 Shan L: 2-(3-{1-Carboxy-5-[(6-[(18)F]fluoro-pyridine-3-carbonyl)-amino]-pentyl}-ureido)-p entanedioic acid . Approved; Investigational "Amino Acids; Amino Acids, Basic; Diagnostic Radiopharmaceuticals; Amino Acids, Essential; Amino Acids, Peptides, and Proteins; Fluorine Radioisotopes; Amides; Positron Emitting Activity; Amino Acids, Diamino; Radioactive Diagnostic Agent" OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)C1=CC=C([18F])N=C1)C(O)=O)C(O)=O CHEMBL4297334 2556616 DB14811 Isatuximab BE0005459 CD38 P28907 CD38_HUMAN binder Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; CD38-directed Antibody Interactions; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Multiple Myeloma, drug therapy; Proteins; CD38 (Clusters of Differentiation 38) inhibitors; Antineoplastic Agents; Immunoglobulins; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; CD38-directed Cytolytic Antibody; Narrow Therapeutic Index Drugs; Blood Proteins" 23448 Isatuximab 2282018 DB14840 Ripretinib BE0000453 KIT P10721 KIT_HUMAN inhibitor 31755321; 32273716 "Nemunaitis J, Bauer S, Blay JY, Choucair K, Gelderblom H, George S, Schoffski P, Mehren MV, Zalcberg J, Achour H, Ruiz-Soto R, Heinrich MC: Intrigue: Phase III study of ripretinib versus sunitinib in advanced gastrointestinal stromal tumor after imatinib. Future Oncol. 2020 Jan;16(1):4251-4264. doi: 10.2217/fon-2019-0633. Epub 2019 Nov 22.@@Liu P, Tan F, Liu H, Li B, Lei T, Zhao X: The Use of Molecular Subtypes for Precision Therapy of Recurrent and Metastatic Gastrointestinal Stromal Tumor. Onco Targets Ther. 2020 Mar 24;13:2433-2447. doi: 10.2147/OTT.S241331. eCollection 2020." Approved "Cytochrome P-450 CYP3A Substrates; Amides; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Stem Cell Factor (KIT) Receptor Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); P-glycoprotein substrates; Antineoplastic Agents; Platelet-derived Growth Factor alpha Receptor Inhibitors; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents" CCN1C(=O)C(=CC2=C1C=C(NC)N=C2)C1=C(Br)C=C(F)C(NC(=O)NC2=CC=CC=C2)=C1 23473 PA166270781 Ripretinib CHEMBL4216467 2369389 DB14840 Ripretinib BE0000634 BRAF P15056 BRAF_HUMAN inhibitor Approved "Cytochrome P-450 CYP3A Substrates; Amides; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Stem Cell Factor (KIT) Receptor Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); P-glycoprotein substrates; Antineoplastic Agents; Platelet-derived Growth Factor alpha Receptor Inhibitors; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents" CCN1C(=O)C(=CC2=C1C=C(NC)N=C2)C1=C(Br)C=C(F)C(NC(=O)NC2=CC=CC=C2)=C1 23473 PA166270781 Ripretinib CHEMBL4216467 2369389 DB14845 Filgotinib BE0004145 JAK1 P23458 JAK1_HUMAN inhibitor 31912462 "Tarrant JM, Galien R, Li W, Goyal L, Pan Y, Hawtin R, Zhang W, Van der Aa A, Taylor PC: Filgotinib, a JAK1 Inhibitor, Modulates Disease-Related Biomarkers in Rheumatoid Arthritis: Results from Two Randomized, Controlled Phase 2b Trials. Rheumatol Ther. 2020 Mar;7(1):173-190. doi: 10.1007/s40744-019-00192-5. Epub 2020 Jan 7." Approved; Investigational "Janus Kinases, antagonists & inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Arthritis, Rheumatoid, drug therapy; Selective Immunosuppressants; P-glycoprotein substrates; Janus Kinase 1, antagonists & inhibitors" O=C(NC1=NN2C(C=CC=C2C2=CC=C(CN3CCS(=O)(=O)CC3)C=C2)=N1)C1CC1 Filgotinib CHEMBL3301607 DB14881 Oliceridine BE0000770 OPRM1 P35372 OPRM_HUMAN agonist 27778501; 23300227; 27533032; 30880365 "Schneider S, Provasi D, Filizola M: How Oliceridine (TRV-130) Binds and Stabilizes a mu-Opioid Receptor Conformational State That Selectively Triggers G Protein Signaling Pathways. Biochemistry. 2016 Nov 22;55(46):6456-6466. doi: 10.1021/acs.biochem.6b00948. Epub 2016 Nov 7.@@DeWire SM, Yamashita DS, Rominger DH, Liu G, Cowan CL, Graczyk TM, Chen XT, Pitis PM, Gotchev D, Yuan C, Koblish M, Lark MW, Violin JD: A G protein-biased ligand at the mu-opioid receptor is potently analgesic with reduced gastrointestinal and respiratory dysfunction compared with morphine. J Pharmacol Exp Ther. 2013 Mar;344(3):708-17. doi: 10.1124/jpet.112.201616. Epub 2013 Jan 8.@@Manglik A, Lin H, Aryal DK, McCorvy JD, Dengler D, Corder G, Levit A, Kling RC, Bernat V, Hubner H, Huang XP, Sassano MF, Giguere PM, Lober S, Da Duan, Scherrer G, Kobilka BK, Gmeiner P, Roth BL, Shoichet BK: Structure-based discovery of opioid analgesics with reduced side effects. Nature. 2016 Sep 8;537(7619):185-190. doi: 10.1038/nature19112. Epub 2016 Aug 17.@@Urits I, Viswanath O, Orhurhu V, Gress K, Charipova K, Kaye AD, Ngo A: The Utilization of Mu-Opioid Receptor Biased Agonists: Oliceridine, an Opioid Analgesic with Reduced Adverse Effects. Curr Pain Headache Rep. 2019 Mar 18;23(5):31. doi: 10.1007/s11916-019-0773-1." Approved; Investigational Sensory System Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neuraxial Anesthetics; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2D6 Substrates; Opiate Agonists; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Ligands; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Nervous System; Sulfur Compounds; Opioids COC1=C(CNCC[C@]2(CCOC3(CCCC3)C2)C2=NC=CC=C2)SC=C1 Oliceridine CHEMBL2443262 2392230 DB14895 Vibegron BE0001012 ADRB3 P13945 ADRB3_HUMAN agonist 32993398 "Rechberger T, Wrobel A: Evaluating vibegron for the treatment of overactive bladder. Expert Opin Pharmacother. 2020 Sep 29:1-9. doi: 10.1080/14656566.2020.1809652." Approved; Investigational Adrenergic beta-Agonists; Drugs for Urinary Frequency and Incontinence; Genitourinary Smooth Muscle Relaxants; Adrenergic Agonists; Cytochrome P-450 Substrates; Adrenergic beta-3 Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Pyrimidines; Selective Beta 3-adrenergic Agonists; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates [H][C@@]1(CC[C@@H](CC2=CC=C(NC(=O)[C@@H]3CCC4=NC=CC(=O)N34)C=C2)N1)[C@H](O)C1=CC=CC=C1 D10433 Vibegron CHEMBL2107826 2472254 DB14904 Pimasertib BE0010124 MAP2K1 O14733 MP2K7_HUMAN inhibitor 30585255 "de Weger VA, de Jonge M, Langenberg MHG, Schellens JHM, Lolkema M, Varga A, Demers B, Thomas K, Hsu K, Tuffal G, Goodstal S, Mace S, Deutsch E: A phase I study of the HDM2 antagonist SAR405838 combined with the MEK inhibitor pimasertib in patients with advanced solid tumours. Br J Cancer. 2019 Feb;120(3):286-293. doi: 10.1038/s41416-018-0355-8. Epub 2018 Dec 26." Investigational Nicotinic Acids; Protein Kinase Inhibitors; Pyridines OC[C@@H](O)CNC(=O)C1=C(NC2=C(F)C=C(I)C=C2)C=NC=C1 CHEMBL2107832 DB14917 Ceralasertib BE0010060 ATR Q13535 ATR_HUMAN inhibitor 32878963 "McMullen M, Karakasis K, Loembe B, Dean E, Parr G, Oza AM: DUETTE: a phase II randomized, multicenter study to investigate the efficacy and tolerability of a second maintenance treatment in patients with platinum-sensitive relapsed epithelial ovarian cancer, who have previously received poly(ADP-ribose) polymerase (PARP) inhibitor maintenance treatment. Int J Gynecol Cancer. 2020 Nov;30(11):1824-1828. doi: 10.1136/ijgc-2020-001694. Epub 2020 Sep 2." Investigational "Heterocyclic Compounds, Fused-Ring; Sulfones; Oxazines; Sulfur Compounds; Amides" C[C@@H]1COCCN1C1=NC(=NC(=C1)C1(CC1)[S@](C)(=N)=O)C1=CN=CC2=C1C=CN2 DB14919 Rozanolixizumab BE0010182 FCGRT P55899 FCGRN_HUMAN antibody Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Immunoglobulins; Serum Globulins; Neonatal Fc Receptor Blocker; Immunologic Factors; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" Rozanolixizumab 2642274 DB14924 Ritlecitinib BE0003493 JAK3 P52333 JAK3_HUMAN inhibitor 36091777; 35210753; 27791347 "Yan D, Fan H, Chen M, Xia L, Wang S, Dong W, Wang Q, Niu S, Rao H, Chen L, Nie X, Fang Y: The efficacy and safety of JAK inhibitors for alopecia areata: A systematic review and meta-analysis of prospective studies. Front Pharmacol. 2022 Aug 24;13:950450. doi: 10.3389/fphar.2022.950450. eCollection 2022.@@Ramirez-Marin HA, Tosti A: Evaluating the Therapeutic Potential of Ritlecitinib for the Treatment of Alopecia Areata. Drug Des Devel Ther. 2022 Feb 17;16:363-374. doi: 10.2147/DDDT.S334727. eCollection 2022.@@Telliez JB, Dowty ME, Wang L, Jussif J, Lin T, Li L, Moy E, Balbo P, Li W, Zhao Y, Crouse K, Dickinson C, Symanowicz P, Hegen M, Banker ME, Vincent F, Unwalla R, Liang S, Gilbert AM, Brown MF, Hayward M, Montgomery J, Yang X, Bauman J, Trujillo JI, Casimiro-Garcia A, Vajdos FF, Leung L, Geoghegan KF, Quazi A, Xuan D, Jones L, Hett E, Wright K, Clark JD, Thorarensen A: Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition. ACS Chem Biol. 2016 Dec 16;11(12):3442-3451. doi: 10.1021/acschembio.6b00677. Epub 2016 Nov 10." Approved; Investigational "Immunomodulatory Agents; Janus Kinase Inhibitors; Immunosuppressive Agents; Janus Kinases, antagonists & inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase 3, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Substrates" C[C@H]1CC[C@H](CN1C(=O)C=C)NC1=NC=NC2=C1C=CN2 23902 Ritlecitinib CHEMBL4085457 2641595 DB14924 Ritlecitinib BE0009385 TEC P42680 TEC_HUMAN inhibitor 35210753 "Ramirez-Marin HA, Tosti A: Evaluating the Therapeutic Potential of Ritlecitinib for the Treatment of Alopecia Areata. Drug Des Devel Ther. 2022 Feb 17;16:363-374. doi: 10.2147/DDDT.S334727. eCollection 2022." Approved; Investigational "Immunomodulatory Agents; Janus Kinase Inhibitors; Immunosuppressive Agents; Janus Kinases, antagonists & inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase 3, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Substrates" C[C@H]1CC[C@H](CN1C(=O)C=C)NC1=NC=NC2=C1C=CN2 23902 Ritlecitinib CHEMBL4085457 2641595 DB14924 Ritlecitinib BE0001341 ITK Q08881 ITK_HUMAN inhibitor 35210753; 27791347 "Ramirez-Marin HA, Tosti A: Evaluating the Therapeutic Potential of Ritlecitinib for the Treatment of Alopecia Areata. Drug Des Devel Ther. 2022 Feb 17;16:363-374. doi: 10.2147/DDDT.S334727. eCollection 2022.@@Telliez JB, Dowty ME, Wang L, Jussif J, Lin T, Li L, Moy E, Balbo P, Li W, Zhao Y, Crouse K, Dickinson C, Symanowicz P, Hegen M, Banker ME, Vincent F, Unwalla R, Liang S, Gilbert AM, Brown MF, Hayward M, Montgomery J, Yang X, Bauman J, Trujillo JI, Casimiro-Garcia A, Vajdos FF, Leung L, Geoghegan KF, Quazi A, Xuan D, Jones L, Hett E, Wright K, Clark JD, Thorarensen A: Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition. ACS Chem Biol. 2016 Dec 16;11(12):3442-3451. doi: 10.1021/acschembio.6b00677. Epub 2016 Nov 10." Approved; Investigational "Immunomodulatory Agents; Janus Kinase Inhibitors; Immunosuppressive Agents; Janus Kinases, antagonists & inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase 3, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Substrates" C[C@H]1CC[C@H](CN1C(=O)C=C)NC1=NC=NC2=C1C=CN2 23902 Ritlecitinib CHEMBL4085457 2641595 DB14924 Ritlecitinib BE0009403 TXK P42681 TXK_HUMAN inhibitor 35210753; 27791347 "Ramirez-Marin HA, Tosti A: Evaluating the Therapeutic Potential of Ritlecitinib for the Treatment of Alopecia Areata. Drug Des Devel Ther. 2022 Feb 17;16:363-374. doi: 10.2147/DDDT.S334727. eCollection 2022.@@Telliez JB, Dowty ME, Wang L, Jussif J, Lin T, Li L, Moy E, Balbo P, Li W, Zhao Y, Crouse K, Dickinson C, Symanowicz P, Hegen M, Banker ME, Vincent F, Unwalla R, Liang S, Gilbert AM, Brown MF, Hayward M, Montgomery J, Yang X, Bauman J, Trujillo JI, Casimiro-Garcia A, Vajdos FF, Leung L, Geoghegan KF, Quazi A, Xuan D, Jones L, Hett E, Wright K, Clark JD, Thorarensen A: Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition. ACS Chem Biol. 2016 Dec 16;11(12):3442-3451. doi: 10.1021/acschembio.6b00677. Epub 2016 Nov 10." Approved; Investigational "Immunomodulatory Agents; Janus Kinase Inhibitors; Immunosuppressive Agents; Janus Kinases, antagonists & inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase 3, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Substrates" C[C@H]1CC[C@H](CN1C(=O)C=C)NC1=NC=NC2=C1C=CN2 23902 Ritlecitinib CHEMBL4085457 2641595 DB14924 Ritlecitinib BE0001284 BTK Q06187 BTK_HUMAN inhibitor 35210753; 27791347 "Ramirez-Marin HA, Tosti A: Evaluating the Therapeutic Potential of Ritlecitinib for the Treatment of Alopecia Areata. Drug Des Devel Ther. 2022 Feb 17;16:363-374. doi: 10.2147/DDDT.S334727. eCollection 2022.@@Telliez JB, Dowty ME, Wang L, Jussif J, Lin T, Li L, Moy E, Balbo P, Li W, Zhao Y, Crouse K, Dickinson C, Symanowicz P, Hegen M, Banker ME, Vincent F, Unwalla R, Liang S, Gilbert AM, Brown MF, Hayward M, Montgomery J, Yang X, Bauman J, Trujillo JI, Casimiro-Garcia A, Vajdos FF, Leung L, Geoghegan KF, Quazi A, Xuan D, Jones L, Hett E, Wright K, Clark JD, Thorarensen A: Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition. ACS Chem Biol. 2016 Dec 16;11(12):3442-3451. doi: 10.1021/acschembio.6b00677. Epub 2016 Nov 10." Approved; Investigational "Immunomodulatory Agents; Janus Kinase Inhibitors; Immunosuppressive Agents; Janus Kinases, antagonists & inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase 3, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Substrates" C[C@H]1CC[C@H](CN1C(=O)C=C)NC1=NC=NC2=C1C=CN2 23902 Ritlecitinib CHEMBL4085457 2641595 DB14924 Ritlecitinib BE0009416 BMX P51813 BMX_HUMAN inhibitor 35210753; 27791347 "Ramirez-Marin HA, Tosti A: Evaluating the Therapeutic Potential of Ritlecitinib for the Treatment of Alopecia Areata. Drug Des Devel Ther. 2022 Feb 17;16:363-374. doi: 10.2147/DDDT.S334727. eCollection 2022.@@Telliez JB, Dowty ME, Wang L, Jussif J, Lin T, Li L, Moy E, Balbo P, Li W, Zhao Y, Crouse K, Dickinson C, Symanowicz P, Hegen M, Banker ME, Vincent F, Unwalla R, Liang S, Gilbert AM, Brown MF, Hayward M, Montgomery J, Yang X, Bauman J, Trujillo JI, Casimiro-Garcia A, Vajdos FF, Leung L, Geoghegan KF, Quazi A, Xuan D, Jones L, Hett E, Wright K, Clark JD, Thorarensen A: Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition. ACS Chem Biol. 2016 Dec 16;11(12):3442-3451. doi: 10.1021/acschembio.6b00677. Epub 2016 Nov 10." Approved; Investigational "Immunomodulatory Agents; Janus Kinase Inhibitors; Immunosuppressive Agents; Janus Kinases, antagonists & inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase 3, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Substrates" C[C@H]1CC[C@H](CN1C(=O)C=C)NC1=NC=NC2=C1C=CN2 23902 Ritlecitinib CHEMBL4085457 2641595 DB14960 Somatrogon BE0000075 GHR P10912 GHR_HUMAN binder 26421979 "Carter-Su C, Schwartz J, Argetsinger LS: Growth hormone signaling pathways. Growth Horm IGF Res. 2016 Jun;28:11-5. doi: 10.1016/j.ghir.2015.09.002. Epub 2015 Sep 10." Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Growth Hormone; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Peptide Hormones; Somatropin and Somatropin Agonists; Peptides; Recombinant Human Growth Hormone; Anterior Pituitary Lobe Hormones and Analogues; Pituitary Hormones, Anterior; Pituitary Hormones; Amino Acids, Peptides, and Proteins; Pituitary and Hypothalamic Hormones and Analogues; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 23670 Somatrogon 2644503 DB14962 Trastuzumab deruxtecan BE0000710 FCGR1A P12314 FCGR1_HUMAN antibody 31047803; 30351177 "Tamura K, Tsurutani J, Takahashi S, Iwata H, Krop IE, Redfern C, Sagara Y, Doi T, Park H, Murthy RK, Redman RA, Jikoh T, Lee C, Sugihara M, Shahidi J, Yver A, Modi S: Trastuzumab deruxtecan (DS-8201a) in patients with advanced HER2-positive breast cancer previously treated with trastuzumab emtansine: a dose-expansion, phase 1 study. Lancet Oncol. 2019 Jun;20(6):816-826. doi: 10.1016/S1470-2045(19)30097-X. Epub 2019 Apr 29.@@Nagai Y, Oitate M, Shiozawa H, Ando O: Comprehensive preclinical pharmacokinetic evaluations of trastuzumab deruxtecan (DS-8201a), a HER2-targeting antibody-drug conjugate, in cynomolgus monkeys. Xenobiotica. 2019 Sep;49(9):1086-1096. doi: 10.1080/00498254.2018.1531158. Epub 2019 Jan 4." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; MATE 2 Substrates; Serum Globulins; Cancer immunotherapy; Immunoproteins; Topoisomerase Inhibitors; Antibodies, Monoclonal, Humanized; Cytochrome P-450 CYP3A Substrates; Globulins; Noxae; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Cytochrome P-450 Substrates; Immunologic Factors; Proteins; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; HER2 Receptor Antagonists; Immunoglobulins; Antibody-drug Conjugates; Cytochrome P-450 CYP3A4 Substrates; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; OATP1B3 substrates; HER2 (Human Epidermal Growth Factor Receptor 2) inhibitors; Toxic Actions; MATE substrates; Blood Proteins" 23582 Trastuzumab_deruxtecan 2267574 DB14962 Trastuzumab deruxtecan BE0000971 TOP1 P11387 TOP1_HUMAN inhibitor 31047803 "Tamura K, Tsurutani J, Takahashi S, Iwata H, Krop IE, Redfern C, Sagara Y, Doi T, Park H, Murthy RK, Redman RA, Jikoh T, Lee C, Sugihara M, Shahidi J, Yver A, Modi S: Trastuzumab deruxtecan (DS-8201a) in patients with advanced HER2-positive breast cancer previously treated with trastuzumab emtansine: a dose-expansion, phase 1 study. Lancet Oncol. 2019 Jun;20(6):816-826. doi: 10.1016/S1470-2045(19)30097-X. Epub 2019 Apr 29." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; MATE 2 Substrates; Serum Globulins; Cancer immunotherapy; Immunoproteins; Topoisomerase Inhibitors; Antibodies, Monoclonal, Humanized; Cytochrome P-450 CYP3A Substrates; Globulins; Noxae; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Cytochrome P-450 Substrates; Immunologic Factors; Proteins; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; HER2 Receptor Antagonists; Immunoglobulins; Antibody-drug Conjugates; Cytochrome P-450 CYP3A4 Substrates; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; OATP1B3 substrates; HER2 (Human Epidermal Growth Factor Receptor 2) inhibitors; Toxic Actions; MATE substrates; Blood Proteins" 23582 Trastuzumab_deruxtecan 2267574 DB14967 Margetuximab BE0000511 ERBB2 P04626 ERBB2_HUMAN antagonist Approved; Investigational "Antibodies; HER2 Receptor Antagonists; Antibodies, Monoclonal; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; HER2 (Human Epidermal Growth Factor Receptor 2) inhibitors; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic Agents" Margetuximab 2473850 DB14973 Abrocitinib BE0004145 JAK1 P23458 JAK1_HUMAN inhibitor Approved; Investigational "Janus Kinases, antagonists & inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Janus Kinase Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Sulfones; Cytochrome P-450 Substrates; Janus Kinase Inhibitor; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Agents for Dermatitis, Excluding Corticosteroids; OCT1 inhibitors; Sulfur Compounds; Janus Kinase 1, antagonists & inhibitors" CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)C1=C2C=CNC2=NC=N1 23751 Abrocitinib CHEMBL3655081 2591476 DB14973 Abrocitinib BE0002408 JAK2 O60674 JAK2_HUMAN inhibitor Approved; Investigational "Janus Kinases, antagonists & inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Janus Kinase Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Sulfones; Cytochrome P-450 Substrates; Janus Kinase Inhibitor; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Agents for Dermatitis, Excluding Corticosteroids; OCT1 inhibitors; Sulfur Compounds; Janus Kinase 1, antagonists & inhibitors" CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)C1=C2C=CNC2=NC=N1 23751 Abrocitinib CHEMBL3655081 2591476 DB14973 Abrocitinib BE0003493 JAK3 P52333 JAK3_HUMAN inhibitor Approved; Investigational "Janus Kinases, antagonists & inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Janus Kinase Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Sulfones; Cytochrome P-450 Substrates; Janus Kinase Inhibitor; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Agents for Dermatitis, Excluding Corticosteroids; OCT1 inhibitors; Sulfur Compounds; Janus Kinase 1, antagonists & inhibitors" CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)C1=C2C=CNC2=NC=N1 23751 Abrocitinib CHEMBL3655081 2591476 DB14973 Abrocitinib BE0004146 TYK2 P29597 TYK2_HUMAN inhibitor Approved; Investigational "Janus Kinases, antagonists & inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Janus Kinase Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Sulfones; Cytochrome P-450 Substrates; Janus Kinase Inhibitor; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Agents for Dermatitis, Excluding Corticosteroids; OCT1 inhibitors; Sulfur Compounds; Janus Kinase 1, antagonists & inhibitors" CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)C1=C2C=CNC2=NC=N1 23751 Abrocitinib CHEMBL3655081 2591476 DB14989 Umbralisib BE0002406 PIK3CD O00329 PK3CD_HUMAN inhibitor 29475723; 30936084; 31558467; 32634240 "Burris HA 3rd, Flinn IW, Patel MR, Fenske TS, Deng C, Brander DM, Gutierrez M, Essell JH, Kuhn JG, Miskin HP, Sportelli P, Weiss MS, Vakkalanka S, Savona MR, O'Connor OA: Umbralisib, a novel PI3Kdelta and casein kinase-1epsilon inhibitor, in relapsed or refractory chronic lymphocytic leukaemia and lymphoma: an open-label, phase 1, dose-escalation, first-in-human study. Lancet Oncol. 2018 Apr;19(4):486-496. doi: 10.1016/S1470-2045(18)30082-2. Epub 2018 Feb 20.@@Authors unspecified: Umbralisib: Treatment for a Rare Lymphoma? Cancer Discov. 2019 Jun;9(6):OF5. doi: 10.1158/2159-8290.CD-NB2019-045. Epub 2019 Apr 1.@@Lunning M, Vose J, Nastoupil L, Fowler N, Burger JA, Wierda WG, Schreeder MT, Siddiqi T, Flowers CR, Cohen JB, Sportelli P, Miskin HP, Weiss MS, O'Brien S: Ublituximab and umbralisib in relapsed/refractory B-cell non-Hodgkin lymphoma and chronic lymphocytic leukemia. Blood. 2019 Nov 21;134(21):1811-1820. doi: 10.1182/blood.2019002118.@@Maharaj K, Powers JJ, Achille A, Mediavilla-Varela M, Gamal W, Burger KL, Fonseca R, Jiang K, Miskin HP, Maryanski D, Monastyrskyi A, Duckett DR, Roush WR, Cleveland JL, Sahakian E, Pinilla-Ibarz J: The dual PI3Kdelta/CK1epsilon inhibitor umbralisib exhibits unique immunomodulatory effects on CLL T cells. Blood Adv. 2020 Jul 14;4(13):3072-3084. doi: 10.1182/bloodadvances.2020001800." Approved; Investigational; Withdrawn "Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors" CC(C)OC1=C(F)C=C(C=C1)C1=NN([C@@H](C)C2=C(C3=CC=CC(F)=C3)C(=O)C3=CC(F)=CC=C3O2)C2=C1C(N)=NC=N2 Umbralisib CHEMBL3948730 2478439 DB14989 Umbralisib BE0000014 ABL1 P00519 ABL1_HUMAN inhibitor Approved; Investigational; Withdrawn "Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors" CC(C)OC1=C(F)C=C(C=C1)C1=NN([C@@H](C)C2=C(C3=CC=CC(F)=C3)C(=O)C3=CC(F)=CC=C3O2)C2=C1C(N)=NC=N2 Umbralisib CHEMBL3948730 2478439 DB14996 Sutimlimab BE0001529 C1S P09871 C1S_HUMAN inhibitor Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Immunoproteins; Selective Immunosuppressants; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Classical Complement Pathway Inhibitor" Sutimlimab 2591404 DB14999 Human interferon beta BE0000661 IFNAR1 P17181 INAR1_HUMAN binder 17562848; 25356432; 27572132; 23913971 "Markowitz CE: Interferon-beta: mechanism of action and dosing issues. Neurology. 2007 Jun 12;68(24 Suppl 4):S8-11. doi: 10.1212/01.wnl.0000277703.74115.d2.@@Kasper LH, Reder AT: Immunomodulatory activity of interferon-beta. Ann Clin Transl Neurol. 2014 Aug;1(8):622-31. doi: 10.1002/acn3.84. Epub 2014 Jul 23.@@Haji Abdolvahab M, Mofrad MR, Schellekens H: Interferon Beta: From Molecular Level to Therapeutic Effects. Int Rev Cell Mol Biol. 2016;326:343-72. doi: 10.1016/bs.ircmb.2016.06.001. Epub 2016 Jul 20.@@Kole A, He J, Rivollier A, Silveira DD, Kitamura K, Maloy KJ, Kelsall BL: Type I IFNs regulate effector and regulatory T cell accumulation and anti-inflammatory cytokine production during T cell-mediated colitis. J Immunol. 2013 Sep 1;191(5):2771-9. doi: 10.4049/jimmunol.1301093. Epub 2013 Aug 2." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Anti-Infective Agents; Biological Factors; Intercellular Signaling Peptides and Proteins; Experimental Unapproved Treatments for COVID-19; Immunologic Factors; Peptides; Interferon Type I; Proteins; Interferons; Amino Acids, Peptides, and Proteins" 4381 DB15001 Eflapegrastim BE0000793 CSF3R Q99062 CSF3R_HUMAN ligand Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Serum Globulins; Colony-Stimulating Factors; Intercellular Signaling Peptides and Proteins; Carbohydrates; Immunoproteins; Globulins; Hematopoietic Cell Growth Factors; Amino Acids, Peptides, and Proteins; Glycoproteins; Immunoglobulin Constant Regions; Proteins; Glycoconjugates; Immunoglobulins; Biological Factors; Peptides; Cytokines; Leukocyte Growth Factor; Peptide Fragments; Granulocyte Colony-Stimulating Factors; Immunoglobulin Fragments; Blood Proteins" Eflapegrastim 2612526 DB15011 Avacopan BE0010095 C5AR1 P21730 C5AR1_HUMAN antagonist 24179165; 27768695; 29867214 "Xiao H, Dairaghi DJ, Powers JP, Ertl LS, Baumgart T, Wang Y, Seitz LC, Penfold ME, Gan L, Hu P, Lu B, Gerard NP, Gerard C, Schall TJ, Jaen JC, Falk RJ, Jennette JC: C5a receptor (CD88) blockade protects against MPO-ANCA GN. J Am Soc Nephrol. 2014 Feb;25(2):225-31. doi: 10.1681/ASN.2013020143. Epub 2013 Oct 31.@@Bekker P, Dairaghi D, Seitz L, Leleti M, Wang Y, Ertl L, Baumgart T, Shugarts S, Lohr L, Dang T, Miao S, Zeng Y, Fan P, Zhang P, Johnson D, Powers J, Jaen J, Charo I, Schall TJ: Characterization of Pharmacologic and Pharmacokinetic Properties of CCX168, a Potent and Selective Orally Administered Complement 5a Receptor Inhibitor, Based on Preclinical Evaluation and Randomized Phase 1 Clinical Study. PLoS One. 2016 Oct 21;11(10):e0164646. doi: 10.1371/journal.pone.0164646. eCollection 2016.@@Liu H, Kim HR, Deepak RNVK, Wang L, Chung KY, Fan H, Wei Z, Zhang C: Orthosteric and allosteric action of the C5a receptor antagonists. Nat Struct Mol Biol. 2018 Jun;25(6):472-481. doi: 10.1038/s41594-018-0067-z. Epub 2018 Jun 4." Approved; Investigational 1-benzoylpiperidines Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives Amines; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Selective Immunosuppressants; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Complement 5a Receptor Antagonist; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Piperidines; Cytochrome P-450 CYP3A Inducers CC1=CC=C(NC(=O)[C@H]2CCCN([C@H]2C2=CC=C(NC3CCCC3)C=C2)C(=O)C2=C(F)C=CC=C2C)C=C1C(F)(F)F 23717 Avacopan CHEMBL3989871 2572100 DB15031 Daridorexant BE0005865 HCRTR2 O43614 OX2R_HUMAN antagonist 34415378 "Roch C, Bergamini G, Steiner MA, Clozel M: Nonclinical pharmacology of daridorexant: a new dual orexin receptor antagonist for the treatment of insomnia. Psychopharmacology (Berl). 2021 Oct;238(10):2693-2708. doi: 10.1007/s00213-021-05954-0. Epub 2021 Aug 20." Approved Orexin Receptor Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Wakefulness-Promoting Agents; Cytochrome P-450 CYP3A4 Substrates COC1=CC(C(=O)N2CCC[C@@]2(C)C2=NC3=C(N2)C=CC(Cl)=C3C)=C(C=C1)N1N=CC=N1 Daridorexant CHEMBL4297590 2591497 DB15035 Zanubrutinib BE0001284 BTK Q06187 BTK_HUMAN inhibitor 31381333; 30679329; 31340982; 31028669; 31591468; 34209188 "Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19.@@Tarantelli C, Zhang L, Curti E, Gaudio E, Spriano F, Priebe V, Cascione L, Arribas AJ, Zucca E, Rossi D, Stathis A, Bertoni F: The Bruton tyrosine kinase inhibitor zanubrutinib (BGB-3111) demonstrated synergies with other anti-lymphoma targeted agents. Haematologica. 2019 Jul;104(7):e307-e309. doi: 10.3324/haematol.2018.214759. Epub 2019 Jan 24.@@Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW: Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24.@@Bond DA, Woyach JA: Targeting BTK in CLL: Beyond Ibrutinib. Curr Hematol Malig Rep. 2019 Jun;14(3):197-205. doi: 10.1007/s11899-019-00512-0.@@Castillo JJ, Treon SP: What is new in the treatment of Waldenstrom macroglobulinemia? Leukemia. 2019 Nov;33(11):2555-2562. doi: 10.1038/s41375-019-0592-8. Epub 2019 Oct 7.@@Kaliamurthi S, Selvaraj G, Selvaraj C, Singh SK, Wei DQ, Peslherbe GH: Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19. Int J Mol Sci. 2021 Jun 30;22(13). pii: ijms22137071. doi: 10.3390/ijms22137071." Approved; Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 23569 Zanubrutinib CHEMBL3936761 2262435 DB15035 Zanubrutinib BE0000767 EGFR P00533 EGFR_HUMAN inhibitor 31340982; 31381333 "Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW: Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24.@@Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19." Approved; Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 23569 Zanubrutinib CHEMBL3936761 2262435 DB15035 Zanubrutinib BE0000511 ERBB2 P04626 ERBB2_HUMAN inhibitor 31340982; 31381333 "Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW: Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24.@@Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19." Approved; Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 23569 Zanubrutinib CHEMBL3936761 2262435 DB15035 Zanubrutinib BE0004772 ERBB4 Q15303 ERBB4_HUMAN inhibitor 31340982; 31381333 "Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW: Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24.@@Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19." Approved; Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 23569 Zanubrutinib CHEMBL3936761 2262435 DB15035 Zanubrutinib BE0001341 ITK Q08881 ITK_HUMAN inhibitor 31340982; 31381333 "Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW: Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24.@@Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19." Approved; Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 23569 Zanubrutinib CHEMBL3936761 2262435 DB15035 Zanubrutinib BE0009416 BMX P51813 BMX_HUMAN inhibitor 31340982; 31381333 "Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW: Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24.@@Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19." Approved; Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 23569 Zanubrutinib CHEMBL3936761 2262435 DB15035 Zanubrutinib BE0002408 JAK2 O60674 JAK2_HUMAN inhibitor 31340982; 31381333 "Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW: Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24.@@Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19." Approved; Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 23569 Zanubrutinib CHEMBL3936761 2262435 DB15035 Zanubrutinib BE0009385 TEC P42680 TEC_HUMAN inhibitor 31340982; 31381333 "Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW: Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24.@@Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19." Approved; Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 23569 Zanubrutinib CHEMBL3936761 2262435 DB15035 Zanubrutinib BE0009413 BLK P51451 BLK_HUMAN inhibitor 31340982; 31381333 "Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW: Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24.@@Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19." Approved; Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 23569 Zanubrutinib CHEMBL3936761 2262435 DB15035 Zanubrutinib BE0003493 JAK3 P52333 JAK3_HUMAN inhibitor 31381333 "Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19." Approved; Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 23569 Zanubrutinib CHEMBL3936761 2262435 DB15035 Zanubrutinib BE0005539 FGR P09769 FGR_HUMAN inhibitor 31381333 "Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19." Approved; Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 23569 Zanubrutinib CHEMBL3936761 2262435 DB15035 Zanubrutinib BE0000842 LCK P06239 LCK_HUMAN inhibitor 31381333 "Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19." Approved; Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 23569 Zanubrutinib CHEMBL3936761 2262435 DB15035 Zanubrutinib BE0009403 TXK P42681 TXK_HUMAN inhibitor 31381333 "Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19." Approved; Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 23569 Zanubrutinib CHEMBL3936761 2262435 DB15071 Omidenepag isopropyl BE0000368 PTGER2 P43116 PE2R2_HUMAN agonist 29332128 "Kirihara T, Taniguchi T, Yamamura K, Iwamura R, Yoneda K, Odani-Kawabata N, Shimazaki A, Matsugi T, Shams N, Zhang JZ: Pharmacologic Characterization of Omidenepag Isopropyl, a Novel Selective EP2 Receptor Agonist, as an Ocular Hypotensive Agent. Invest Ophthalmol Vis Sci. 2018 Jan 1;59(1):145-153. doi: 10.1167/iovs.17-22745." Approved; Investigational "Hypotensive Agents; Receptors, Prostaglandin E, EP2 Subtype, agonists; Antiglaucoma Agents; Pyrazoles; Prodrugs; Sulfonamides; Ophthalmic Solutions; Pyridines; Ophthalmics" CC(C)OC(=O)CNC1=CC=CC(CN(CC2=CC=C(C=C2)N2C=CC=N2)S(=O)(=O)C2=CC=CN=C2)=N1 Omidenepag CHEMBL4297666 2612690 DB15091 Upadacitinib BE0004145 JAK1 P23458 JAK1_HUMAN inhibitor 31692920; 30886973 "Biggioggero M, Becciolini A, Crotti C, Agape E, Favalli EG: Upadacitinib and filgotinib: the role of JAK1 selective inhibition in the treatment of rheumatoid arthritis. Drugs Context. 2019 Oct 24;8:212595. doi: 10.7573/dic.212595. eCollection 2019.@@Parmentier JM, Voss J, Graff C, Schwartz A, Argiriadi M, Friedman M, Camp HS, Padley RJ, George JS, Hyland D, Rosebraugh M, Wishart N, Olson L, Long AJ: In vitro and in vivo characterization of the JAK1 selectivity of upadacitinib (ABT-494). BMC Rheumatol. 2018 Aug 28;2:23. doi: 10.1186/s41927-018-0031-x. eCollection 2018." Approved; Investigational "OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Disease-modifying Antirheumatic Agents; P-glycoprotein substrates; Janus Kinase Inhibitor; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Selective Immunosuppressants; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Antirheumatic Agents" CC[C@@H]1CN(C[C@@H]1C1=CN=C2C=NC3=C(C=CN3)N12)C(=O)NCC(F)(F)F 23404 Upadacitinib CHEMBL3622821 2196092 DB15093 Somapacitan BE0000075 GHR P10912 GHR_HUMAN agonist 32053994 "Petersen M, Gandhi PS, Buchardt J, Alanentalo T, Fels JJ, Johansen NL, Helding-Kvist P, Vad K, Thygesen P: Tissue Distribution and Receptor Activation by Somapacitan, a Long Acting Growth Hormone Derivative. Int J Mol Sci. 2020 Feb 11;21(4). pii: ijms21041181. doi: 10.3390/ijms21041181." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Sugar Alcohols; Carbohydrates; Cytochrome P-450 CYP1A2 Inducers; Benzene Derivatives; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Somatropin and Somatropin Agonists; Cytochrome P-450 Enzyme Inhibitors; Phenols; Alcohols; Human Growth Hormone Analogs; Anterior Pituitary Lobe Hormones and Analogues; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Hormones; Growth Hormone; Amino Acids; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Lipids; Peptides; Peptide Hormones; Amino Acids, Cyclic; Amino Acids, Essential; Cytochrome P-450 CYP2C19 Inhibitors; Pituitary Hormones, Anterior; Pituitary Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" 23866 D11194 Somapacitan 2557394 DB15097 Gefapixant BE0009818 P2RX3 P56373 P2RX3_HUMAN antagonist Approved; Investigational BCRP/ABCG2 Substrates; MATE 1 Substrates; MATE 2 Substrates; P-glycoprotein substrates; Sulfones; Sulfonamides; Cough and Cold Preparations; Sulfur Compounds; Amides; Benzene Derivatives; MATE substrates COC1=C(C=C(OC2=CN=C(N)N=C2N)C(=C1)C(C)C)S(N)(=O)=O Gefapixant CHEMBL3716057 DB15100 Cusatuzumab BE0010130 CD70 P32970 CD70_HUMAN antibody 33459118 "Kaplon H, Reichert JM: Antibodies to watch in 2021. MAbs. 2021 Jan-Dec;13(1):1860476. doi: 10.1080/19420862.2020.1860476." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Antibodies, Monoclonal, Humanized; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins" DB15102 Pemigatinib BE0002131 FGFR1 P11362 FGFR1_HUMAN inhibitor 32315352 "Liu PCC, Koblish H, Wu L, Bowman K, Diamond S, DiMatteo D, Zhang Y, Hansbury M, Rupar M, Wen X, Collier P, Feldman P, Klabe R, Burke KA, Soloviev M, Gardiner C, He X, Volgina A, Covington M, Ruggeri B, Wynn R, Burn TC, Scherle P, Yeleswaram S, Yao W, Huber R, Hollis G: INCB054828 (pemigatinib), a potent and selective inhibitor of fibroblast growth factor receptors 1, 2, and 3, displays activity against genetically defined tumor models. PLoS One. 2020 Apr 21;15(4):e0231877. doi: 10.1371/journal.pone.0231877. eCollection 2020." Approved; Investigational "OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Receptor, Fibroblast Growth Factor, Type 1, antagonists & inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; Oxazines; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Fibroblast Growth Factor 2, antagonists & inhibitors; MATE inhibitors; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Receptor, Fibroblast Growth Factor, Type 2, antagonists & inhibitors" CCN1C(=O)N(CC2=CN=C3NC(CN4CCOCC4)=CC3=C12)C1=C(F)C(OC)=CC(OC)=C1F 23643 Pemigatinib CHEMBL4297522 2359268 DB15102 Pemigatinib BE0000748 FGFR2 P21802 FGFR2_HUMAN inhibitor 32315352 "Liu PCC, Koblish H, Wu L, Bowman K, Diamond S, DiMatteo D, Zhang Y, Hansbury M, Rupar M, Wen X, Collier P, Feldman P, Klabe R, Burke KA, Soloviev M, Gardiner C, He X, Volgina A, Covington M, Ruggeri B, Wynn R, Burn TC, Scherle P, Yeleswaram S, Yao W, Huber R, Hollis G: INCB054828 (pemigatinib), a potent and selective inhibitor of fibroblast growth factor receptors 1, 2, and 3, displays activity against genetically defined tumor models. PLoS One. 2020 Apr 21;15(4):e0231877. doi: 10.1371/journal.pone.0231877. eCollection 2020." Approved; Investigational "OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Receptor, Fibroblast Growth Factor, Type 1, antagonists & inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; Oxazines; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Fibroblast Growth Factor 2, antagonists & inhibitors; MATE inhibitors; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Receptor, Fibroblast Growth Factor, Type 2, antagonists & inhibitors" CCN1C(=O)N(CC2=CN=C3NC(CN4CCOCC4)=CC3=C12)C1=C(F)C(OC)=CC(OC)=C1F 23643 Pemigatinib CHEMBL4297522 2359268 DB15102 Pemigatinib BE0001203 FGFR4 P22455 FGFR4_HUMAN inhibitor 32315352 "Liu PCC, Koblish H, Wu L, Bowman K, Diamond S, DiMatteo D, Zhang Y, Hansbury M, Rupar M, Wen X, Collier P, Feldman P, Klabe R, Burke KA, Soloviev M, Gardiner C, He X, Volgina A, Covington M, Ruggeri B, Wynn R, Burn TC, Scherle P, Yeleswaram S, Yao W, Huber R, Hollis G: INCB054828 (pemigatinib), a potent and selective inhibitor of fibroblast growth factor receptors 1, 2, and 3, displays activity against genetically defined tumor models. PLoS One. 2020 Apr 21;15(4):e0231877. doi: 10.1371/journal.pone.0231877. eCollection 2020." Approved; Investigational "OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Receptor, Fibroblast Growth Factor, Type 1, antagonists & inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; Oxazines; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Fibroblast Growth Factor 2, antagonists & inhibitors; MATE inhibitors; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Receptor, Fibroblast Growth Factor, Type 2, antagonists & inhibitors" CCN1C(=O)N(CC2=CN=C3NC(CN4CCOCC4)=CC3=C12)C1=C(F)C(OC)=CC(OC)=C1F 23643 Pemigatinib CHEMBL4297522 2359268 DB15114 Vamorolone BE0000794 NR3C1 P04150 GCR_HUMAN agonist Approved; Investigational 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids UGT2B7 substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; UGT2B17 substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Pregnadienes; Pregnanes C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO Vamorolone CHEMBL2348780 2669799 DB15114 Vamorolone BE0000668 NR3C2 P08235 MCR_HUMAN antagonist 30745312 "Heier CR, Yu Q, Fiorillo AA, Tully CB, Tucker A, Mazala DA, Uaesoontrachoon K, Srinivassane S, Damsker JM, Hoffman EP, Nagaraju K, Spurney CF: Vamorolone targets dual nuclear receptors to treat inflammation and dystrophic cardiomyopathy. Life Sci Alliance. 2019 Feb 11;2(1):e201800186. doi: 10.26508/lsa.201800186. Print 2019 Feb." Approved; Investigational 21-hydroxysteroids Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids UGT2B7 substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; UGT2B17 substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Pregnadienes; Pregnanes C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO Vamorolone CHEMBL2348780 2669799 DB15119 Ropeginterferon alfa-2b BE0010136 IFNAR1 P48551 INAR2_HUMAN binder Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors; Immunosuppressive Agents; Cytochrome P-450 CYP2A6 Inhibitors; Antineoplastic and Immunomodulating Agents; Immunotherapy; Myelosuppressive Agents; Cancer immunotherapy; Cytochrome P-450 Enzyme Inhibitors; Adjuvants, Immunologic; Cytochrome P-450 CYP1A2 Inhibitors; Interferons; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons" Ropeginterferon_alfa-2b 2587059 DB15133 Tepotinib BE0000915 MET P08581 MET_HUMAN inhibitor Approved; Investigational "OCT2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Proto-Oncogene Proteins c-met, antagonists & inhibitors; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; OCT1 inhibitors; Mesenchymal Epithelial Transition Inhibitors" CN1CCC(COC2=CN=C(N=C2)C2=CC(CN3N=C(C=CC3=O)C3=CC(=CC=C3)C#N)=CC=C2)CC1 23595 C-Met_inhibitor CHEMBL3402762 2477103 DB15133 Tepotinib BE0003580 NISCH Q9Y2I1 NISCH_HUMAN inhibitor Approved; Investigational "OCT2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Proto-Oncogene Proteins c-met, antagonists & inhibitors; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; OCT1 inhibitors; Mesenchymal Epithelial Transition Inhibitors" CN1CCC(COC2=CN=C(N=C2)C2=CC(CN3N=C(C=CC3=O)C3=CC(=CC=C3)C#N)=CC=C2)CC1 23595 C-Met_inhibitor CHEMBL3402762 2477103 DB15149 Futibatinib BE0002131 FGFR1 P11362 FGFR1_HUMAN inhibitor 32973082 "Sootome H, Fujita H, Ito K, Ochiiwa H, Fujioka Y, Ito K, Miura A, Sagara T, Ito S, Ohsawa H, Otsuki S, Funabashi K, Yashiro M, Matsuo K, Yonekura K, Hirai H: Futibatinib Is a Novel Irreversible FGFR 1-4 Inhibitor That Shows Selective Antitumor Activity against FGFR-Deregulated Tumors. Cancer Res. 2020 Nov 15;80(22):4986-4997. doi: 10.1158/0008-5472.CAN-19-2568. Epub 2020 Sep 24." Approved; Investigational BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2D6 Substrates; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors COC1=CC(=CC(OC)=C1)C#CC1=NN([C@H]2CCN(C2)C(=O)C=C)C2=C1C(N)=NC=N2 PA166293381 Futibatinib CHEMBL3701238 2628190 DB15149 Futibatinib BE0000748 FGFR2 P21802 FGFR2_HUMAN inhibitor 32973082 "Sootome H, Fujita H, Ito K, Ochiiwa H, Fujioka Y, Ito K, Miura A, Sagara T, Ito S, Ohsawa H, Otsuki S, Funabashi K, Yashiro M, Matsuo K, Yonekura K, Hirai H: Futibatinib Is a Novel Irreversible FGFR 1-4 Inhibitor That Shows Selective Antitumor Activity against FGFR-Deregulated Tumors. Cancer Res. 2020 Nov 15;80(22):4986-4997. doi: 10.1158/0008-5472.CAN-19-2568. Epub 2020 Sep 24." Approved; Investigational BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2D6 Substrates; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors COC1=CC(=CC(OC)=C1)C#CC1=NN([C@H]2CCN(C2)C(=O)C=C)C2=C1C(N)=NC=N2 PA166293381 Futibatinib CHEMBL3701238 2628190 DB15149 Futibatinib BE0001203 FGFR4 P22455 FGFR4_HUMAN inhibitor 32973082 "Sootome H, Fujita H, Ito K, Ochiiwa H, Fujioka Y, Ito K, Miura A, Sagara T, Ito S, Ohsawa H, Otsuki S, Funabashi K, Yashiro M, Matsuo K, Yonekura K, Hirai H: Futibatinib Is a Novel Irreversible FGFR 1-4 Inhibitor That Shows Selective Antitumor Activity against FGFR-Deregulated Tumors. Cancer Res. 2020 Nov 15;80(22):4986-4997. doi: 10.1158/0008-5472.CAN-19-2568. Epub 2020 Sep 24." Approved; Investigational BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2D6 Substrates; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors COC1=CC(=CC(OC)=C1)C#CC1=NN([C@H]2CCN(C2)C(=O)C=C)C2=C1C(N)=NC=N2 PA166293381 Futibatinib CHEMBL3701238 2628190 DB15163 Selatogrel BE0000110 P2RY12 Q9H244 P2Y12_HUMAN antagonist 32056160 "Schilling U, Dingemanse J, Ufer M: Pharmacokinetics and Pharmacodynamics of Approved and Investigational P2Y12 Receptor Antagonists. Clin Pharmacokinet. 2020 May;59(5):545-566. doi: 10.1007/s40262-020-00864-4." Investigational Organophosphorus Compounds CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CP(O)(O)=O)NC(=O)C1=CC(=NC(=N1)C1=CC=CC=C1)N1CC[C@@H](C1)OC DB15164 Apadamtase alfa BE0001043 VWF P04275 VWF_HUMAN cleavage Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Metalloendopeptidases; Peptide Hydrolases; Recombinant Proteins; ADAMTS Proteins; Hydrolases; Enzymes and Coenzymes; ADAM Proteins; Metalloproteases; Proteins; Extracellular Matrix Proteins; Amino Acids, Peptides, and Proteins; Enzymes" 2670285 DB15165 Avacincaptad pegol BE0000855 C5 P01031 CO5_HUMAN inhibitor Approved; Investigational "Complement Inactivator Proteins; Complement Inactivating Agents; Aptamers, Nucleotide" Avacincaptad_pegol 2645108 DB15170 Evobrutinib BE0001284 BTK Q06187 BTK_HUMAN inhibitor 34209188 "Kaliamurthi S, Selvaraj G, Selvaraj C, Singh SK, Wei DQ, Peslherbe GH: Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19. Int J Mol Sci. 2021 Jun 30;22(13). pii: ijms22137071. doi: 10.3390/ijms22137071." Investigational Diphenylethers Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers NC1=NC=NC(NCC2CCN(CC2)C(=O)C=C)=C1C1=CC=C(OC2=CC=CC=C2)C=C1 CHEMBL4072833 DB15171 Tirzepatide BE0000857 GLP1R P43220 GLP1R_HUMAN agonist 30473097 "Coskun T, Sloop KW, Loghin C, Alsina-Fernandez J, Urva S, Bokvist KB, Cui X, Briere DA, Cabrera O, Roell WC, Kuchibhotla U, Moyers JS, Benson CT, Gimeno RE, D'Alessio DA, Haupt A: LY3298176, a novel dual GIP and GLP-1 receptor agonist for the treatment of type 2 diabetes mellitus: From discovery to clinical proof of concept. Mol Metab. 2018 Dec;18:3-14. doi: 10.1016/j.molmet.2018.09.009. Epub 2018 Oct 3." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Gastrointestinal Hormones; Receptors, Gastrointestinal Hormone; Incretins; Receptors, G-Protein-Coupled; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Nerve Tissue Proteins; Proteins; Receptors, Peptide; Alimentary Tract and Metabolism; Hormones; Glucagon-Like Peptide Receptors; Membrane Proteins; Neuropeptides; Peptides; GLP-1 Agonists; Drugs Used in Diabetes; Glucose-dependent Insulinotropic Polypeptide Receptor Agonist; Peptide Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" 23805 Tirzepatide 2601723 DB15218 Pozelimab BE0000855 C5 P01031 CO5_HUMAN antibody Approved; Investigational "Immunoglobulins; Serum Globulins; Complement Inactivating Agents; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins" Pozelimab 2663938 DB15227 Tirabrutinib BE0001284 BTK Q06187 BTK_HUMAN inhibitor 33275726; 33689480 "Castillo JJ, Treon SP: Management of Waldenstrom macroglobulinemia in 2020. Hematology Am Soc Hematol Educ Program. 2020 Dec 4;2020(1):372-379. doi: 10.1182/hematology.2020000121.@@Zheng TJ, Lofurno ER, Melrose AR, Lakshmanan HHS, Pang J, Phillips KG, Fallon ME, Kohs TCL, Ngo ATP, Shatzel JJ, Hinds MT, McCarty OJT, Aslan JE: Assessment of the effects of Syk and BTK inhibitors on GPVI-mediated platelet signaling and function. Am J Physiol Cell Physiol. 2021 May 1;320(5):C902-C915. doi: 10.1152/ajpcell.00296.2020. Epub 2021 Mar 10." Investigational CC#CC(=O)N1CC[C@H](C1)N1C(=O)N(C2=C(N)N=CN=C12)C1=CC=C(OC2=CC=CC=C2)C=C1 Tirabrutinib CHEMBL4071161 DB15233 Avapritinib BE0000453 KIT P10721 KIT_HUMAN inhibitor 31117741 "Wu CP, Lusvarghi S, Wang JC, Hsiao SH, Huang YH, Hung TH, Ambudkar SV: Avapritinib: A Selective Inhibitor of KIT and PDGFRalpha that Reverses ABCB1 and ABCG2-Mediated Multidrug Resistance in Cancer Cell Lines. Mol Pharm. 2019 Jul 1;16(7):3040-3052. doi: 10.1021/acs.molpharmaceut.9b00274. Epub 2019 Jun 4." Approved; Investigational Bile Salt Export Pump Inhibitors; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; MATE 2-K Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; BSEP/ABCB11 Inhibitors CN1C=C(C=N1)C1=CN2N=CN=C(N3CCN(CC3)C3=NC=C(C=N3)[C@@](C)(N)C3=CC=C(F)C=C3)C2=C1 Avapritinib CHEMBL4204794 2272107 DB15250 Vercirnon BE0002463 CCR9 P51686 CCR9_HUMAN Investigational Sulfones; Sulfur Compounds; Amides CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC1=C(C=C(Cl)C=C1)C(=O)C1=CC=[N+]([O-])C=C1 CHEMBL2178578 DB15270 Efgartigimod alfa BE0010182 FCGRT P55899 FCGRN_HUMAN binder Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Antibodies; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Neonatal Fc Receptor Blocker; Immunoglobulin Fc Fragments; Immunoproteins; Selective Immunosuppressants; Human Immunoglobulin G; Globulins 23872 Efgartigimod_alfa 2587717 DB15271 Crizanlizumab BE0001159 SELP P16109 LYAM3_HUMAN inhibitor Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Blood and Blood Forming Organs; Immunoproteins; Antibodies, Monoclonal, Humanized; Immunoglobulin G; Proteins; Selectin Blocker; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" Crizanlizumab 2262421 DB15283 Tebentafusp BE0010187 PMEL P40967 PMEL_HUMAN binder 31336704; 34885078; 32816891 "Damato BE, Dukes J, Goodall H, Carvajal RD: Tebentafusp: T Cell Redirection for the Treatment of Metastatic Uveal Melanoma. Cancers (Basel). 2019 Jul 11;11(7). pii: cancers11070971. doi: 10.3390/cancers11070971.@@Martinez-Perez D, Vinal D, Solares I, Espinosa E, Feliu J: Gp-100 as a Novel Therapeutic Target in Uveal Melanoma. Cancers (Basel). 2021 Nov 27;13(23). pii: cancers13235968. doi: 10.3390/cancers13235968.@@Middleton MR, McAlpine C, Woodcock VK, Corrie P, Infante JR, Steven NM, Evans TRJ, Anthoney A, Shoushtari AN, Hamid O, Gupta A, Vardeu A, Leach E, Naidoo R, Stanhope S, Lewis S, Hurst J, O'Kelly I, Sznol M: Tebentafusp, A TCR/Anti-CD3 Bispecific Fusion Protein Targeting gp100, Potently Activated Antitumor Immune Responses in Patients with Metastatic Melanoma. Clin Cancer Res. 2020 Nov 15;26(22):5869-5878. doi: 10.1158/1078-0432.CCR-20-1247. Epub 2020 Aug 18." Approved; Investigational "Bispecific gp100 Peptide-HLA-directed CD3 T Cell Engager; Recombinant Proteins; Antineoplastic and Immunomodulating Agents; Immunotherapy; Cancer immunotherapy; Melanoma, therapy; Proteins; Amino Acids, Peptides, and Proteins; Antineoplastic Agents" 23735 Immunocore 2590743 DB15303 Faricimab BE0010028 ANGPT2 O15123 ANGP2_HUMAN antagonist 27742718 "Regula JT, Lundh von Leithner P, Foxton R, Barathi VA, Cheung CM, Bo Tun SB, Wey YS, Iwata D, Dostalek M, Moelleken J, Stubenrauch KG, Nogoceke E, Widmer G, Strassburger P, Koss MJ, Klein C, Shima DT, Hartmann G: Targeting key angiogenic pathways with a bispecific CrossMAb optimized for neovascular eye diseases. EMBO Mol Med. 2016 Nov 2;8(11):1265-1288. doi: 10.15252/emmm.201505889. Print 2016 Nov." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Serum Globulins; Growth Substances; Immunoproteins; Angiogenesis Inhibitors; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Angiogenesis Modulating Agents; Proteins; Ocular Vascular Disorder Agents; Growth Inhibitors; Immunoglobulins; Antineovascularisation Agents; Ophthalmologicals; Blood Proteins; Sensory Organs" 23736 Faricimab 2591519 DB15327 Abivertinib BE0000767 EGFR P00533 EGFR_HUMAN inhibitor Investigational "Acrylates; Enzyme Inhibitors; Experimental Unapproved Treatments for COVID-19; Acids, Acyclic; Amides; Tyrosine Kinase Inhibitors; Protein Kinase Inhibitors" CN1CCN(CC1)C1=C(F)C=C(NC2=NC(OC3=CC=CC(NC(=O)C=C)=C3)=C3C=CNC3=N2)C=C1 CHEMBL4297865 DB15327 Abivertinib BE0001284 BTK Q06187 BTK_HUMAN inhibitor Investigational "Acrylates; Enzyme Inhibitors; Experimental Unapproved Treatments for COVID-19; Acids, Acyclic; Amides; Tyrosine Kinase Inhibitors; Protein Kinase Inhibitors" CN1CCN(CC1)C1=C(F)C=C(NC2=NC(OC3=CC=CC(NC(=O)C=C)=C3)=C3C=CNC3=N2)C=C1 CHEMBL4297865 DB15328 Ubrogepant BE0009009 CALCRL Q16602 CALRL_HUMAN antagonist 33749826 "Blumenfeld AM, Goadsby PJ, Dodick DW, Hutchinson S, Liu C, Finnegan M, Trugman JM, Szegedi A: Efficacy of ubrogepant based on prior exposure and response to triptans: A post hoc analysis. Headache. 2021 Mar;61(3):422-429. doi: 10.1111/head.14089. Epub 2021 Mar 22." Approved; Investigational OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Calcitonin Gene-Related Peptide (CGRP) Antagonists; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); BCRP/ABCG2 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP3A4 Substrates; Analgesics; Calcitonin Gene-Related Peptide Receptor Antagonists; OATP1B3 substrates; Antimigraine Preparations; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC2=NC=CC=C42)C(=O)N1CC(F)(F)F)C1=CC=CC=C1 23801 Ubrogepant CHEMBL2364638 2268216 DB15347 Branebrutinib BE0001284 BTK Q06187 BTK_HUMAN inhibitor 33689480 "Zheng TJ, Lofurno ER, Melrose AR, Lakshmanan HHS, Pang J, Phillips KG, Fallon ME, Kohs TCL, Ngo ATP, Shatzel JJ, Hinds MT, McCarty OJT, Aslan JE: Assessment of the effects of Syk and BTK inhibitors on GPVI-mediated platelet signaling and function. Am J Physiol Cell Physiol. 2021 May 1;320(5):C902-C915. doi: 10.1152/ajpcell.00296.2020. Epub 2021 Mar 10." Investigational "Enzyme Inhibitors; Protein Kinase Inhibitors; Heterocyclic Compounds, Fused-Ring" CC#CC(=O)N[C@H]1CCCN(C1)C1=C2C(C)=C(C)NC2=C(C=C1F)C(N)=O DB15354 Evinacumab BE0010034 ANGPTL3 Q9Y5C1 ANGL3_HUMAN inhibitor 33130482; 33295805; 31578082 "Harada-Shiba M, Ali S, Gipe DA, Gasparino E, Son V, Zhang Y, Pordy R, Catapano AL: A randomized study investigating the safety, tolerability, and pharmacokinetics of evinacumab, an ANGPTL3 inhibitor, in healthy Japanese and Caucasian subjects. Atherosclerosis. 2020 Dec;314:33-40. doi: 10.1016/j.atherosclerosis.2020.10.013. Epub 2020 Oct 10.@@Doggrell SA: Will evinacumab become the standard treatment for homozygous familial hypercholesterolemia? Expert Opin Biol Ther. 2020 Dec 14:1-4. doi: 10.1080/14712598.2021.1862083.@@Banerjee P, Chan KC, Tarabocchia M, Benito-Vicente A, Alves AC, Uribe KB, Bourbon M, Skiba PJ, Pordy R, Gipe DA, Gaudet D, Martin C: Functional Analysis of LDLR (Low-Density Lipoprotein Receptor) Variants in Patient Lymphocytes to Assess the Effect of Evinacumab in Homozygous Familial Hypercholesterolemia Patients With a Spectrum of LDLR Activity. Arterioscler Thromb Vasc Biol. 2019 Nov;39(11):2248-2260. doi: 10.1161/ATVBAHA.119.313051. Epub 2019 Oct 3." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Angiopoietin-like 3 Inhibitors; Lipid Modifying Agents, Plain; Immunoproteins; Angiopoietin-like 3 Inhibitor; Proteins; Globulins; Lipid Modifying Agents; Hypolipidemic Agents; Amino Acids, Peptides, and Proteins; Lipid Regulating Agents" 23874 Evinacumab 2478335 DB15395 Elranatamab BE0010202 CD3D P20963 CD3Z_HUMAN antibody Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Bispecific Monoclonal Antibodies; Bispecific B-cell maturation antigen (BCMA)-directed CD3 T-cell engager; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins" 23904 Elranatamab 2644880 DB15399 BMS-754807 BE0000858 IGF1R P08069 IGF1R_HUMAN inhibitor 19996272; 21875414 "Carboni JM, Wittman M, Yang Z, Lee F, Greer A, Hurlburt W, Hillerman S, Cao C, Cantor GH, Dell-John J, Chen C, Discenza L, Menard K, Li A, Trainor G, Vyas D, Kramer R, Attar RM, Gottardis MM: BMS-754807, a small molecule inhibitor of insulin-like growth factor-1R/IR. Mol Cancer Ther. 2009 Dec;8(12):3341-9. doi: 10.1158/1535-7163.MCT-09-0499.@@King ER, Wong KK: Insulin-like growth factor: current concepts and new developments in cancer therapy. Recent Pat Anticancer Drug Discov. 2012 Jan;7(1):14-30. doi: 10.2174/157489212798357930." Investigational C[C@]1(CCCN1C1=NN2C=CC=C2C(NC2=NNC(=C2)C2CC2)=N1)C(=O)NC1=CN=C(F)C=C1 CHEMBL575448 DB15399 BMS-754807 BE0000033 INSR P06213 INSR_HUMAN inhibitor 19996272; 21875414 "Carboni JM, Wittman M, Yang Z, Lee F, Greer A, Hurlburt W, Hillerman S, Cao C, Cantor GH, Dell-John J, Chen C, Discenza L, Menard K, Li A, Trainor G, Vyas D, Kramer R, Attar RM, Gottardis MM: BMS-754807, a small molecule inhibitor of insulin-like growth factor-1R/IR. Mol Cancer Ther. 2009 Dec;8(12):3341-9. doi: 10.1158/1535-7163.MCT-09-0499.@@King ER, Wong KK: Insulin-like growth factor: current concepts and new developments in cancer therapy. Recent Pat Anticancer Drug Discov. 2012 Jan;7(1):14-30. doi: 10.2174/157489212798357930." Investigational C[C@]1(CCCN1C1=NN2C=CC=C2C(NC2=NNC(=C2)C2CC2)=N1)C(=O)NC1=CN=C(F)C=C1 CHEMBL575448 DB15406 GLPG-0974 BE0010131 FFAR2 O15552 FFAR2_HUMAN antagonist 29875665 "Li M, van Esch BCAM, Henricks PAJ, Folkerts G, Garssen J: The Anti-inflammatory Effects of Short Chain Fatty Acids on Lipopolysaccharide- or Tumor Necrosis Factor alpha-Stimulated Endothelial Cells via Activation of GPR41/43 and Inhibition of HDACs. Front Pharmacol. 2018 May 23;9:533. doi: 10.3389/fphar.2018.00533. eCollection 2018." Investigational "Fatty Acids, Volatile; Lipids; Sulfur Compounds; Acids, Acyclic; Fatty Acids" C[C@@]1(CCN1C(=O)C1=CSC2=C1C=CC=C2)C(=O)N(CCCC(O)=O)CC1=CC=CC(Cl)=C1 CHEMBL3353541 DB15434 Mosunetuzumab BE0000274 CD3E P07766 CD3E_HUMAN binder 2484963 "Tunnacliffe A, Olsson C, de la Hera A: The majority of human CD3 epitopes are conferred by the epsilon chain. Int Immunol. 1989;1(5):546-50. doi: 10.1093/intimm/1.5.546." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Immunosuppressive Agents; Immunoglobulins; Immunotherapy; Myelosuppressive Agents; Cancer immunotherapy; Serum Globulins; Antibodies, Monoclonal, Humanized; CD3-directed Antibody Interactions; Proteins; Blood Proteins; CD20-directed Antibody Interactions; Amino Acids, Peptides, and Proteins; Antineoplastic Agents" Mosunetuzumab 2625122 DB15442 Trilaciclib BE0002212 CDK6 Q00534 CDK6_HUMAN inhibitor 31504118; 33348420; 33004541; 33595690; 33123968 "Weiss JM, Csoszi T, Maglakelidze M, Hoyer RJ, Beck JT, Domine Gomez M, Lowczak A, Aljumaily R, Rocha Lima CM, Boccia RV, Hanna W, Nikolinakos P, Chiu VK, Owonikoko TK, Schuster SR, Hussein MA, Richards DA, Sawrycki P, Bulat I, Hamm JT, Hart LL, Adler S, Antal JM, Lai AY, Sorrentino JA, Yang Z, Malik RK, Morris SR, Roberts PJ, Dragnev KH: Myelopreservation with the CDK4/6 inhibitor trilaciclib in patients with small-cell lung cancer receiving first-line chemotherapy: a phase Ib/randomized phase II trial. Ann Oncol. 2019 Oct 1;30(10):1613-1621. doi: 10.1093/annonc/mdz278.@@Daniel D, Kuchava V, Bondarenko I, Ivashchuk O, Reddy S, Jaal J, Kudaba I, Hart L, Matitashvili A, Pritchett Y, Morris SR, Sorrentino JA, Antal JM, Goldschmidt J: Trilaciclib prior to chemotherapy and atezolizumab in patients with newly diagnosed extensive-stage small cell lung cancer: A multicentre, randomised, double-blind, placebo-controlled Phase II trial. Int J Cancer. 2020 Dec 21. doi: 10.1002/ijc.33453.@@Lai AY, Sorrentino JA, Dragnev KH, Weiss JM, Owonikoko TK, Rytlewski JA, Hood J, Yang Z, Malik RK, Strum JC, Roberts PJ: CDK4/6 inhibition enhances antitumor efficacy of chemotherapy and immune checkpoint inhibitor combinations in preclinical models and enhances T-cell activation in patients with SCLC receiving chemotherapy. J Immunother Cancer. 2020 Oct;8(2). pii: jitc-2020-000847. doi: 10.1136/jitc-2020-000847.@@Li C, Hart L, Owonikoko TK, Aljumaily R, Rocha Lima CM, Conkling PR, Webb RT, Jotte RM, Schuster S, Edenfield WJ, Smith DA, Sale M, Roberts PJ, Malik RK, Sorrentino JA: Trilaciclib dose selection: an integrated pharmacokinetic and pharmacodynamic analysis of preclinical data and Phase Ib/IIa studies in patients with extensive-stage small cell lung cancer. Cancer Chemother Pharmacol. 2021 Feb 17. pii: 10.1007/s00280-021-04239-9. doi: 10.1007/s00280-021-04239-9.@@Hart LL, Ferrarotto R, Andric ZG, Beck JT, Subramanian J, Radosavljevic DZ, Zaric B, Hanna WT, Aljumaily R, Owonikoko TK, Verhoeven D, Xiao J, Morris SR, Antal JM, Hussein MA: Myelopreservation with Trilaciclib in Patients Receiving Topotecan for Small Cell Lung Cancer: Results from a Randomized, Double-Blind, Placebo-Controlled Phase II Study. Adv Ther. 2021 Jan;38(1):350-365. doi: 10.1007/s12325-020-01538-0. Epub 2020 Oct 29." Approved; Investigational "OCT2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cyclin-dependent Kinase 4 Inhibitors; MATE 2-K Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Detoxifying Agents for Antineoplastic Treatment; P-glycoprotein substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP1A2 Inducers (strength unknown); MATE inhibitors; MATE 2 Inhibitors; Cyclin-Dependent Kinases, antagonists & inhibitors; Cyclin-dependent Kinase 6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN1CCN(CC1)C1=CN=C(NC2=NC3=C(C=C4N3C3(CCCCC3)CNC4=O)C=N2)C=C1 CDK_inhibitor CHEMBL3894860 2479690 DB15442 Trilaciclib BE0002207 CDK9 P50750 CDK9_HUMAN inhibitor 26826116 "Bisi JE, Sorrentino JA, Roberts PJ, Tavares FX, Strum JC: Preclinical Characterization of G1T28: A Novel CDK4/6 Inhibitor for Reduction of Chemotherapy-Induced Myelosuppression. Mol Cancer Ther. 2016 May;15(5):783-93. doi: 10.1158/1535-7163.MCT-15-0775. Epub 2016 Jan 29." Approved; Investigational "OCT2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cyclin-dependent Kinase 4 Inhibitors; MATE 2-K Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Detoxifying Agents for Antineoplastic Treatment; P-glycoprotein substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP1A2 Inducers (strength unknown); MATE inhibitors; MATE 2 Inhibitors; Cyclin-Dependent Kinases, antagonists & inhibitors; Cyclin-dependent Kinase 6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN1CCN(CC1)C1=CN=C(NC2=NC3=C(C=C4N3C3(CCCCC3)CNC4=O)C=N2)C=C1 CDK_inhibitor CHEMBL3894860 2479690 DB15442 Trilaciclib BE0001072 CDK2 P24941 CDK2_HUMAN inhibitor 26826116 "Bisi JE, Sorrentino JA, Roberts PJ, Tavares FX, Strum JC: Preclinical Characterization of G1T28: A Novel CDK4/6 Inhibitor for Reduction of Chemotherapy-Induced Myelosuppression. Mol Cancer Ther. 2016 May;15(5):783-93. doi: 10.1158/1535-7163.MCT-15-0775. Epub 2016 Jan 29." Approved; Investigational "OCT2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cyclin-dependent Kinase 4 Inhibitors; MATE 2-K Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Detoxifying Agents for Antineoplastic Treatment; P-glycoprotein substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP1A2 Inducers (strength unknown); MATE inhibitors; MATE 2 Inhibitors; Cyclin-Dependent Kinases, antagonists & inhibitors; Cyclin-dependent Kinase 6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN1CCN(CC1)C1=CN=C(NC2=NC3=C(C=C4N3C3(CCCCC3)CNC4=O)C=N2)C=C1 CDK_inhibitor CHEMBL3894860 2479690 DB15442 Trilaciclib BE0001913 CDK7 P50613 CDK7_HUMAN inhibitor 26826116 "Bisi JE, Sorrentino JA, Roberts PJ, Tavares FX, Strum JC: Preclinical Characterization of G1T28: A Novel CDK4/6 Inhibitor for Reduction of Chemotherapy-Induced Myelosuppression. Mol Cancer Ther. 2016 May;15(5):783-93. doi: 10.1158/1535-7163.MCT-15-0775. Epub 2016 Jan 29." Approved; Investigational "OCT2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cyclin-dependent Kinase 4 Inhibitors; MATE 2-K Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Detoxifying Agents for Antineoplastic Treatment; P-glycoprotein substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP1A2 Inducers (strength unknown); MATE inhibitors; MATE 2 Inhibitors; Cyclin-Dependent Kinases, antagonists & inhibitors; Cyclin-dependent Kinase 6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CN1CCN(CC1)C1=CN=C(NC2=NC3=C(C=C4N3C3(CCCCC3)CNC4=O)C=N2)C=C1 CDK_inhibitor CHEMBL3894860 2479690 DB15444 Elexacaftor BE0001195 CFTR P13569 CFTR_HUMAN positive allosteric modulator Approved; Investigational OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cystic Fibrosis Transmembrane Conductance Regulator Correctors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) C[C@@H]1CN(C2=NC(=CC=C2C(=O)NS(=O)(=O)C2=CN(C)N=C2C)N2C=CC(OCC(C)(C)C(F)(F)F)=N2)C(C)(C)C1 23605 Elexacaftor CHEMBL4298128 2256951 DB15463 Belzutifan BE0009679 EPAS1 Q99814 EPAS1_HUMAN inhibitor "Tai W. Wong, Rajeev Shrimali, Cristina Contreras, Tzuling Cheng, Robert M. Czerwinski, Daryl D. Dixon, Xinlin Du, Craig Fett, Jessica Goree, Jonas A. Grina, Guangzhou Han, Heli Huang, Jim Rizzi, Stephen T. Schlachter, Bin Wang, Keshi Wang, Paul M. Wehn, Shanhai Xie, Rui Xu, Hanbiao Yang, John A. Josey and Eli M. Wallace: Abstract B140: PT2977, a novel HIF-2a antagonist, has potent antitumor activity and remodels the immunosuppressive tumor microenvironment in clear cell renal cell cancer AACR-NCI-EORTC International Conference: Molecular Targets and Cancer Therapeutics." Approved; Investigational Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; Cytochrome P-450 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP3A Substrates; MATE inhibitors; OATP1B1/SLCO1B1 Substrates; Hypoxia-inducible Factor Inhibitor; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; UGT2B17 substrates; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates CS(=O)(=O)C1=CC=C(OC2=CC(=CC(F)=C2)C#N)C2=C1[C@H](O)[C@H](F)[C@@H]2F 23752 PA166268761 Belzutifan CHEMBL4585668 2567226 DB15488 Echinacoside BE0000132 AR P10275 ANDR_HUMAN agonist 29497114 "Jiang Z, Zhou B, Li X, Kirby GM, Zhang X: Echinacoside Increases Sperm Quantity in Rats by Targeting the Hypothalamic Androgen Receptor. Sci Rep. 2018 Mar 1;8(1):3839. doi: 10.1038/s41598-018-22211-1." Experimental Herbs and Natural Products; COMT Substrates; Carbohydrates C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC(O)=C(O)C=C3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O Echinacoside CHEMBL510539 DB15489 Mexazolam BE0008668 GABRA1 Q99928 GBRG3_HUMAN ligand 26000220 "Fernandes H, Moreira R: Mexazolam: clinical efficacy and tolerability in the treatment of anxiety. Neurol Ther. 2014 Mar 29;3(1):1-14. doi: 10.1007/s40120-014-0016-7. eCollection 2014 Jun." Experimental "Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Depressants; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Psycholeptics" CC1COC2(N1CC(O)=NC1=C2C=C(Cl)C=C1)C1=CC=CC=C1Cl Mexazolam CHEMBL1743261 DB15493 Cambinol BE0003362 SIRT5 Q9NXA8 SIR5_HUMAN inhibitor 16618762 "Heltweg B, Gatbonton T, Schuler AD, Posakony J, Li H, Goehle S, Kollipara R, Depinho RA, Gu Y, Simon JA, Bedalov A: Antitumor activity of a small-molecule inhibitor of human silent information regulator 2 enzymes. Cancer Res. 2006 Apr 15;66(8):4368-77. doi: 10.1158/0008-5472.CAN-05-3617." Experimental Pyrimidines OC1=C(CC2=C(NC(=S)NC2=O)C2=CC=CC=C2)C2=CC=CC=C2C=C1 CHEMBL491960 DB15498 BOS172722 BE0003791 TTK P33981 TTK_HUMAN inhibitor 30199249; 31575759 "Woodward HL, Innocenti P, Cheung KJ, Hayes A, Roberts J, Henley AT, Faisal A, Mak GW, Box G, Westwood IM, Cronin N, Carter M, Valenti M, De Haven Brandon A, O'Fee L, Saville H, Schmitt J, Burke R, Broccatelli F, van Montfort RLM, Raynaud FI, Eccles SA, Linardopoulos S, Blagg J, Hoelder S: Introduction of a Methyl Group Curbs Metabolism of Pyrido[3,4- d]pyrimidine Monopolar Spindle 1 (MPS1) Inhibitors and Enables the Discovery of the Phase 1 Clinical Candidate N(2)-(2-Ethoxy-4-(4-methyl-4 H-1,2,4-triazol-3-yl)phenyl)-6-methyl- N(8)-neopentylpyrido[3,4- d]pyrimidine-2,8-diamine (BOS172722). J Med Chem. 2018 Sep 27;61(18):8226-8240. doi: 10.1021/acs.jmedchem.8b00690. Epub 2018 Sep 10.@@Anderhub SJ, Mak GW, Gurden MD, Faisal A, Drosopoulos K, Walsh K, Woodward HL, Innocenti P, Westwood IM, Naud S, Hayes A, Theofani E, Filosto S, Saville H, Burke R, van Montfort RLM, Raynaud FI, Blagg J, Hoelder S, Eccles SA, Linardopoulos S: High Proliferation Rate and a Compromised Spindle Assembly Checkpoint Confers Sensitivity to the MPS1 Inhibitor BOS172722 in Triple-Negative Breast Cancers. Mol Cancer Ther. 2019 Oct;18(10):1696-1707. doi: 10.1158/1535-7163.MCT-18-1203." Experimental CCOC1=CC(=CC=C1NC1=NC=C2C=C(C)N=C(NCC(C)(C)C)C2=N1)C1=NN=CN1C CHEMBL3924132 DB15566 Prednisolone acetate BE0000794 NR3C1 P04150 GCR_HUMAN agonist 19482847; 2879901 "Ikonomidis I, Tzortzis S, Lekakis J, Paraskevaidis I, Andreadou I, Nikolaou M, Kaplanoglou T, Katsimbri P, Skarantavos G, Soucacos P, Kremastinos DT: Lowering interleukin-1 activity with anakinra improves myocardial deformation in rheumatoid arthritis. Heart. 2009 Sep;95(18):1502-7. doi: 10.1136/hrt.2009.168971. Epub 2009 May 28.@@Boudinot FD, D'Ambrosio R, Jusko WJ: Receptor-mediated pharmacodynamics of prednisolone in the rat. J Pharmacokinet Biopharm. 1986 Oct;14(5):469-93." Approved; Vet_approved "Gluco/mineralocorticoids, progestogins and derivatives" Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids Fused-Ring Compounds; Cytochrome P-450 Enzyme Inducers; Corticosteroids; Steroids; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Prodrugs; Cytochrome P-450 CYP3A4 Inducers; Pregnadienes; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Pregnadienetriols; Pregnanes [H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C 7617 Prednisolone_acetate CHEMBL1152 DB15568 Adagrasib BE0004071 KRAS P01116 RASK_HUMAN inhibitor 31658955 "Christensen JG, Hallin J, Engstrom LD, Hargis L, Calinisan A, Aranda R, Briere DM, Sudhakar N, Bowcut V, Baer BR, Ballard JA, Burkard MR, Fell JB, Fischer JP, Vigers GP, Xue JY, Gatto S, Fernandez-Banet J, Pavlicek A, Velastegui K, Chao RC, Barton J, Pierobon M, Baldelli E, Patricoin EF, Cassidy DP, Marx MA, Rybkin II, Johnson ML, Ou SI, Lito P, Papadopoulos KP, Janne PA, Olson P: The KRASG12C Inhibitor, MRTX849, Provides Insight Toward Therapeutic Susceptibility of KRAS Mutant Cancers in Mouse Models and Patients. Cancer Discov. 2019 Oct 28. pii: 2159-8290.CD-19-1167. doi: 10.1158/2159-8290.CD-19-1167." Approved; Investigational "Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; RAS GTPase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Nitriles; Immune Checkpoint Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents, Immunological; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Substrates" [H][C@@]1(COC2=NC3=C(CCN(C3)C3=CC=CC4=C3C(Cl)=CC=C4)C(=N2)N2CCN(C(=O)C(F)=C)[C@@]([H])(CC#N)C2)CCCN1C Adagrasib CHEMBL4594350 2625882 DB15569 Sotorasib BE0004071 KRAS P01116 RASK_HUMAN inhibitor 31189530; 23313110; 31666701; 31776128; 31820981; 33283304; 33824136 "Authors unspecified: AMG 510 First to Inhibit ""Undruggable"" KRAS. Cancer Discov. 2019 Aug;9(8):988-989. doi: 10.1158/2159-8290.CD-NB2019-073. Epub 2019 Jun 12.@@Fiala O, Pesek M, Finek J, Benesova L, Belsanova B, Minarik M: The dominant role of G12C over other KRAS mutation types in the negative prediction of efficacy of epidermal growth factor receptor tyrosine kinase inhibitors in non-small cell lung cancer. Cancer Genet. 2013 Jan-Feb;206(1-2):26-31. doi: 10.1016/j.cancergen.2012.12.003. Epub 2013 Jan 10.@@Canon J, Rex K, Saiki AY, Mohr C, Cooke K, Bagal D, Gaida K, Holt T, Knutson CG, Koppada N, Lanman BA, Werner J, Rapaport AS, San Miguel T, Ortiz R, Osgood T, Sun JR, Zhu X, McCarter JD, Volak LP, Houk BE, Fakih MG, O'Neil BH, Price TJ, Falchook GS, Desai J, Kuo J, Govindan R, Hong DS, Ouyang W, Henary H, Arvedson T, Cee VJ, Lipford JR: The clinical KRAS(G12C) inhibitor AMG 510 drives anti-tumour immunity. Nature. 2019 Oct 30. pii: 10.1038/s41586-019-1694-1. doi: 10.1038/s41586-019-1694-1.@@Ryan MB, Fece de la Cruz F, Phat S, Myers DT, Wong E, Shahzade HA, Hong CB, Corcoran RB: Vertical Pathway Inhibition Overcomes Adaptive Feedback Resistance to KRAS(G12C) Inhibition. Clin Cancer Res. 2020 Apr 1;26(7):1633-1643. doi: 10.1158/1078-0432.CCR-19-3523. Epub 2019 Nov 27.@@Lanman BA, Allen JR, Allen JG, Amegadzie AK, Ashton KS, Booker SK, Chen JJ, Chen N, Frohn MJ, Goodman G, Kopecky DJ, Liu L, Lopez P, Low JD, Ma V, Minatti AE, Nguyen TT, Nishimura N, Pickrell AJ, Reed AB, Shin Y, Siegmund AC, Tamayo NA, Tegley CM, Walton MC, Wang HL, Wurz RP, Xue M, Yang KC, Achanta P, Bartberger MD, Canon J, Hollis LS, McCarter JD, Mohr C, Rex K, Saiki AY, San Miguel T, Volak LP, Wang KH, Whittington DA, Zech SG, Lipford JR, Cee VJ: Discovery of a Covalent Inhibitor of KRAS(G12C) (AMG 510) for the Treatment of Solid Tumors. J Med Chem. 2020 Jan 9;63(1):52-65. doi: 10.1021/acs.jmedchem.9b01180. Epub 2019 Dec 24.@@Madhyastha N, Samantha SK, Dittakavi S, Markose M, Mallurwar SR, Zainuddin M, Mullangi R: Validated HPLC-MS/MS method for quantitation of AMG 510, a KRAS G12C inhibitor, in mouse plasma and its application to a pharmacokinetic study in mice. Biomed Chromatogr. 2021 Apr;35(4):e5043. doi: 10.1002/bmc.5043. Epub 2021 Jan 19.@@Tanaka N, Lin JJ, Li C, Ryan MB, Zhang J, Kiedrowski LA, Michel AG, Syed MU, Fella KA, Sakhi M, Baiev I, Juric D, Gainor JF, Klempner SJ, Lennerz JK, Siravegna G, Bar-Peled L, Hata AN, Heist RS, Corcoran RB: Clinical acquired resistance to KRASG12C inhibition through a novel KRAS switch-II pocket mutation and polyclonal alterations converging on RAS-MAPK reactivation. Cancer Discov. 2021 Apr 6. pii: 2159-8290.CD-21-0365. doi: 10.1158/2159-8290.CD-21-0365." Approved; Investigational "Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; P-glycoprotein inhibitors; RAS GTPase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Immune Checkpoint Inhibitors; Antineoplastic Agents, Immunological; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers" CC(C)C1=NC=CC(C)=C1N1C(=O)N=C(N2CCN(C[C@@H]2C)C(=O)C=C)C2=CC(F)=C(N=C12)C1=C(O)C=CC=C1F 23653 D12055 Sotorasib CHEMBL4535757 2550714 DB15588 Ursolic acid BE0001076 HRAS P01112 RASH_HUMAN regulator 34108504 "Bhaskar BV, Rammohan A, Babu TM, Zheng GY, Chen W, Rajendra W, Zyryanov GV, Gu W: Molecular insight into isoform specific inhibition of PI3K-alpha and PKC-eta with dietary agents through an ensemble pharmacophore and docking studies. Sci Rep. 2021 Jun 9;11(1):12150. doi: 10.1038/s41598-021-90287-3." Experimental "Pentacyclic Triterpenes; Sapogenins; Anti-Infective Agents; Cyclooxygenase Inhibitors; Sensory System Agents; Anti-Inflammatory Agents, Non-Steroidal; Enzyme Inhibitors; Anti-Inflammatory Agents; Triterpenes; Analgesics, Non-Narcotic; Antineoplastic Agents, Phytogenic; Antirheumatic Agents; Peripheral Nervous System Agents; Analgesics; Antineoplastic Agents; Terpenes" [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O Ursolic_acid CHEMBL169 1426931 DB15593 Golodirsen BE0009794 DMD P11532 DMD_HUMAN inducer 29301272; 24554202; 30171533; 31576784 "Aslesh T, Maruyama R, Yokota T: Skipping Multiple Exons to Treat DMD-Promises and Challenges. Biomedicines. 2018 Jan 2;6(1). pii: biomedicines6010001. doi: 10.3390/biomedicines6010001.@@Kinter J, Sinnreich M: Molecular targets to treat muscular dystrophies. Swiss Med Wkly. 2014 Feb 19;144:w13916. doi: 10.4414/smw.2014.13916.@@Rodrigues M, Yokota T: An Overview of Recent Advances and Clinical Applications of Exon Skipping and Splice Modulation for Muscular Dystrophy and Various Genetic Diseases. Methods Mol Biol. 2018;1828:31-55. doi: 10.1007/978-1-4939-8651-4_2.@@Hwang J, Yokota T: Recent advancements in exon-skipping therapies using antisense oligonucleotides and genome editing for the treatment of various muscular dystrophies. Expert Rev Mol Med. 2019 Oct 2;21:e5. doi: 10.1017/erm.2019.5." Approved "Musculo-Skeletal System; Polynucleotides; Nucleic Acids; Oligonucleotides; Drugs that are Mainly Renally Excreted; Nucleic Acid Probes; Nucleic Acids, Nucleotides, and Nucleosides; Antisense Oligonucleotides; Nucleotides; Antisense Elements (Genetics); Molecular Probes; Laboratory Chemicals; Compounds used in a research, industrial, or household setting" Golodirsen 2267207 DB15598 Ferric maltol BE0008685 SLC11A2 P49281 NRAM2_HUMAN substrate 26595432 "Stallmach A, Buning C: Ferric maltol (ST10): a novel oral iron supplement for the treatment of iron deficiency anemia in inflammatory bowel disease. Expert Opin Pharmacother. 2015;16(18):2859-67. doi: 10.1517/14656566.2015.1096929. Epub 2015 Nov 23." Approved "Organometallic Compounds; Antianemic Preparations; Parenteral Iron Replacement; UGT1A6 substrate; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Pyrans; Iron Trivalent, Oral Preparations" [Fe+3].CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1 Ferric_maltol 2539932 DB15617 Ferric derisomaltose BE0004850 TFRC Q9UP52 TFR2_HUMAN binder 24310424 "Geisser P, Burckhardt S: The pharmacokinetics and pharmacodynamics of iron preparations. Pharmaceutics. 2011 Jan 4;3(1):12-33. doi: 10.3390/pharmaceutics3010012." Approved "Antianemia Drugs; Antianemic Preparations; Parenteral Iron Replacement; Iron Compounds; Carbohydrates; Oligosaccharides; Polysaccharides; Iron Preparations; Anemia, Iron-Deficiency" [Fe+3].OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 309 Ferric_derisomaltose 2274394 DB15624 Halicin BE0009865 MAPK10 P45984 MK09_HUMAN inhibitor 24838066; 25423094; 26491845 "Augustine C, Cepinskas G, Fraser DD: Traumatic injury elicits JNK-mediated human astrocyte retraction in vitro. Neuroscience. 2014 Aug 22;274:1-10. doi: 10.1016/j.neuroscience.2014.05.009. Epub 2014 May 15.@@Jang S, Javadov S: Inhibition of JNK aggravates the recovery of rat hearts after global ischemia: the role of mitochondrial JNK. PLoS One. 2014 Nov 25;9(11):e113526. doi: 10.1371/journal.pone.0113526. eCollection 2014.@@Jang S, Yu LR, Abdelmegeed MA, Gao Y, Banerjee A, Song BJ: Critical role of c-jun N-terminal protein kinase in promoting mitochondrial dysfunction and acute liver injury. Redox Biol. 2015 Dec;6:552-564. doi: 10.1016/j.redox.2015.09.040. Epub 2015 Oct 9." Experimental Sulfur Compounds; Thiazoles NC1=NN=C(SC2=NC=C(S2)[N+]([O-])=O)S1 Halicin CHEMBL510038 DB15628 Inolimomab BE0000658 IL2RA P01589 IL2RA_HUMAN antibody Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Immunosuppression; Immunosuppressive Agents; Immunoglobulins; Receptors, Interleukin-2; Serum Globulins; Immunologic Factors; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" Inolimomab DB15636 Zilucoplan BE0000855 C5 P01031 CO5_HUMAN inhibitor 32736596 "Wilkinson T, Dixon R, Page C, Carroll M, Griffiths G, Ho LP, De Soyza A, Felton T, Lewis KE, Phekoo K, Chalmers JD, Gordon A, McGarvey L, Doherty J, Read RC, Shankar-Hari M, Martinez-Alier N, O'Kelly M, Duncan G, Walles R, Sykes J, Summers C, Singh D: ACCORD: A Multicentre, Seamless, Phase 2 Adaptive Randomisation Platform Study to Assess the Efficacy and Safety of Multiple Candidate Agents for the Treatment of COVID-19 in Hospitalised Patients: A structured summary of a study protocol for a randomised controlled trial. Trials. 2020 Jul 31;21(1):691. doi: 10.1186/s13063-020-04584-9." Approved "Immunoproteins; Peptides; Complement Inactivating Agents; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins" CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CNC2=NC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)N(C)C(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1)C(C)(C)C)C1CCCCC1)C(O)=O)C(O)=O Zilucoplan 2672489 DB15643 N-(2-Aminoethyl)-1-aziridineethanamine BE0000982 ACE2 Q9BYF1 ACE2_HUMAN inhibitor 15492138 "Huentelman MJ, Zubcevic J, Hernandez Prada JA, Xiao X, Dimitrov DS, Raizada MK, Ostrov DA: Structure-based discovery of a novel angiotensin-converting enzyme 2 inhibitor. Hypertension. 2004 Dec;44(6):903-6. doi: 10.1161/01.HYP.0000146120.29648.36. Epub 2004 Oct 18." Experimental ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors and Calcium Channel Blockers; Angiotensin-Converting Enzyme Inhibitors NCCNCCN1CC1 CHEMBL398940 DB15647 Ketodarolutamide BE0000132 AR P10275 ANDR_HUMAN antagonist 26137992; 26313416; 28490267 "Moilanen AM, Riikonen R, Oksala R, Ravanti L, Aho E, Wohlfahrt G, Nykanen PS, Tormakangas OP, Palvimo JJ, Kallio PJ: Discovery of ODM-201, a new-generation androgen receptor inhibitor targeting resistance mechanisms to androgen signaling-directed prostate cancer therapies. Sci Rep. 2015 Jul 3;5:12007. doi: 10.1038/srep12007.@@Fizazi K, Albiges L, Loriot Y, Massard C: ODM-201: a new-generation androgen receptor inhibitor in castration-resistant prostate cancer. Expert Rev Anticancer Ther. 2015;15(9):1007-17. doi: 10.1586/14737140.2015.1081566.@@Shore ND: Darolutamide (ODM-201) for the treatment of prostate cancer. Expert Opin Pharmacother. 2017 Jun;18(9):945-952. doi: 10.1080/14656566.2017.1329820. Epub 2017 May 24." Experimental "Antiandrogens; Antiandrogens, non-steroidal" C[C@@H](CN1C=CC(=N1)C1=CC=C(C#N)C(Cl)=C1)NC(=O)C1=NNC(=C1)C(C)=O Ketodarolutamide DB15650 Efpeglenatide BE0000857 GLP1R P43220 GLP1R_HUMAN agonist 24373234 "Nadkarni P, Chepurny OG, Holz GG: Regulation of glucose homeostasis by GLP-1. Prog Mol Biol Transl Sci. 2014;121:23-65. doi: 10.1016/B978-0-12-800101-1.00002-8." Investigational "Amino Acids; Imino Acids; Amino Acids, Cyclic; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents" DB15669 Fezolinetant BE0002371 TACR3 P29371 NK3R_HUMAN antagonist 33724119 "Depypere H, Lademacher C, Siddiqui E, Fraser GL: Fezolinetant in the treatment of vasomotor symptoms associated with menopause. Expert Opin Investig Drugs. 2021 Jul;30(7):681-694. doi: 10.1080/13543784.2021.1893305. Epub 2021 Jul 12." Approved; Investigational 4-halobenzoic acids and derivatives Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives "Neurokinin 3 Receptor Antagonist; Heterocyclic Compounds, Fused-Ring; Thiazoles; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Sulfur Compounds; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C19 Substrates" C[C@H]1N(CCN2C1=NN=C2C1=NC(C)=NS1)C(=O)C1=CC=C(F)C=C1 Fezolinetant CHEMBL3608680 2637134 DB15685 Selpercatinib BE0002411 RET P07949 RET_HUMAN inhibitor 31988000 "Solomon BJ, Tan L, Lin JJ, Wong SQ, Hollizeck S, Ebata K, Tuch BB, Yoda S, Gainor JF, Sequist LV, Oxnard GR, Gautschi O, Drilon A, Subbiah V, Khoo C, Zhu EY, Nguyen M, Henry D, Condroski KR, Kolakowski GR, Gomez E, Ballard J, Metcalf AT, Blake JF, Dawson SJ, Blosser W, Stancato LF, Brandhuber BJ, Andrews S, Robinson BG, Rothenberg SM: RET Solvent Front Mutations Mediate Acquired Resistance to Selective RET Inhibition in RET-Driven Malignancies. J Thorac Oncol. 2020 Apr;15(4):541-549. doi: 10.1016/j.jtho.2020.01.006. Epub 2020 Jan 24." Approved; Investigational QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Tyrosine Kinase Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents COC1=NC=C(CN2C3CC2CN(C3)C2=CC=C(C=N2)C2=CC(OCC(C)(C)O)=CN3N=CC(C#N)=C23)C=C1 23604 Selpercatinib CHEMBL4559134 2370147 DB15685 Selpercatinib BE0000029 FLT1 P17948 VGFR1_HUMAN inhibitor Approved; Investigational QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Tyrosine Kinase Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents COC1=NC=C(CN2C3CC2CN(C3)C2=CC=C(C=N2)C2=CC(OCC(C)(C)O)=CN3N=CC(C#N)=C23)C=C1 23604 Selpercatinib CHEMBL4559134 2370147 DB15685 Selpercatinib BE0002131 FGFR1 P11362 FGFR1_HUMAN inhibitor Approved; Investigational QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Tyrosine Kinase Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents COC1=NC=C(CN2C3CC2CN(C3)C2=CC=C(C=N2)C2=CC(OCC(C)(C)O)=CN3N=CC(C#N)=C23)C=C1 23604 Selpercatinib CHEMBL4559134 2370147 DB15685 Selpercatinib BE0000748 FGFR2 P21802 FGFR2_HUMAN inhibitor Approved; Investigational QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Tyrosine Kinase Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents COC1=NC=C(CN2C3CC2CN(C3)C2=CC=C(C=N2)C2=CC(OCC(C)(C)O)=CN3N=CC(C#N)=C23)C=C1 23604 Selpercatinib CHEMBL4559134 2370147 DB15688 Zavegepant BE0009009 CALCRL Q16602 CALRL_HUMAN antagonist 33096162; 35774914 "Mercer SE, Chaturvedula PV, Conway CM, Cook DA, Davis CD, Pin SS, Macci R, Schartman R, Signor LJ, Widmann KA, Whiterock VJ, Chen P, Xu C, Herbst JJ, Kostich WA, Thalody G, Macor JE, Dubowchik GM: Azepino-indazoles as calcitonin gene-related peptide (CGRP) receptor antagonists. Bioorg Med Chem Lett. 2021 Jan 1;31:127624. doi: 10.1016/j.bmcl.2020.127624. Epub 2020 Oct 21.@@Noor N, Angelette A, Lawson A, Patel A, Urits I, Viswanath O, Yazdi C, Kaye AD: A Comprehensive Review of Zavegepant as Abortive Treatment for Migraine. Health Psychol Res. 2022 Jun 28;10(3):35506. doi: 10.52965/001c.35506. eCollection 2022." Approved; Investigational "MATE 1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Calcitonin Gene-Related Peptide Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Antimigraine Preparations; OATP1B3 substrates; Pyrazoles; Cytochrome P-450 CYP3A Substrates; Receptors, Calcitonin Gene-Related Peptide, antagonists & inhibitors; Calcitonin Gene-Related Peptide (CGRP) Antagonists; MATE substrates; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Quinolines; Nasal Preparations" CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](CC1=CC2=C(NN=C2)C(C)=C1)NC(=O)N1CCC(CC1)C1=CC2=C(NC1=O)C=CC=C2 Zavegepant CHEMBL2397415 2637955 DB15690 Fluoroestradiol F-18 BE0000123 ESR1 P03372 ESR1_HUMAN binder Approved "Fused-Ring Compounds; Steroids; Gonadal Steroid Hormones; Gonadal Hormones; Estrogens; Fluorine Radioisotopes; Estranes; Radioactive Diagnostic Agent; Estradiol Congeners; Positron Emitting Activity; Estrogens, agonists; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H]([18F])[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Fluoroestradiol_F-18 2372221 DB15690 Fluoroestradiol F-18 BE0000792 ESR2 Q92731 ESR2_HUMAN binder Approved "Fused-Ring Compounds; Steroids; Gonadal Steroid Hormones; Gonadal Hormones; Estrogens; Fluorine Radioisotopes; Estranes; Radioactive Diagnostic Agent; Estradiol Congeners; Positron Emitting Activity; Estrogens, agonists; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists" [H][C@@]12C[C@@H]([18F])[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Fluoroestradiol_F-18 2372221 DB15762 Satralizumab BE0002859 IL6R P08887 IL6RA_HUMAN binder Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Interleukin-6 Receptor Antagonist; Interleukin Inhibitors" 23467 Satralizumab 2391551 DB15769 Envafolimab BE0003441 CD274 Q9NZQ7 PD1L1_HUMAN inhibitor Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Immune Checkpoint Inhibitors; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" DB15770 Cosibelimab BE0003441 CD274 Q9NZQ7 PD1L1_HUMAN inhibitor Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Immune Checkpoint Inhibitors DB15771 AUNP-12 BE0003441 CD274 Q9NZQ7 PD1L1_HUMAN inhibitor Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Immune Checkpoint Inhibitors DB15772 CA-170 BE0003441 CD274 Q9NZQ7 PD1L1_HUMAN inhibitor Investigational Immune Checkpoint Inhibitors DB15773 anti-OX40 antibody BMS 986178 BE0003441 CD274 Q9NZQ7 PD1L1_HUMAN inhibitor Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Immune Checkpoint Inhibitors DB15791 MK-0668 BE0010014 ITGA4 P05556 ITB1_HUMAN 19441819 "Lin LS, Lanza T, Jewell JP, Liu P, Jones C, Kieczykowski GR, Treonze K, Si Q, Manior S, Koo G, Tong X, Wang J, Schuelke A, Pivnichny J, Wang R, Raab C, Vincent S, Davies P, Maccoss M, Mumford RA, Hagmann WK: Discovery of N-{N-[(3-cyanophenyl)sulfonyl]-4(R)-cyclobutylamino-(L)-prolyl}-4-[(3',5'-dichlor oisonicotinoyl) amino]-(L)-phenylalanine (MK-0668), an extremely potent and orally active antagonist of very late antigen-4. J Med Chem. 2009 Jun 11;52(11):3449-52. doi: 10.1021/jm900257b." Experimental "Amino Acids; Amino Acids, Cyclic; Pyridines; Nicotinic Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic" OC(=O)[C@H](CC1=CC=C(NC(=O)C2=C(Cl)C=NC=C2Cl)C=C1)NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)C1=CC=CC(=C1)C#N)NC1CCC1 CHEMBL506044 DB15822 Pralsetinib BE0002411 RET P07949 RET_HUMAN inhibitor 29657135 "Subbiah V, Gainor JF, Rahal R, Brubaker JD, Kim JL, Maynard M, Hu W, Cao Q, Sheets MP, Wilson D, Wilson KJ, DiPietro L, Fleming P, Palmer M, Hu MI, Wirth L, Brose MS, Ou SI, Taylor M, Garralda E, Miller S, Wolf B, Lengauer C, Guzi T, Evans EK: Precision Targeted Therapy with BLU-667 for RET-Driven Cancers. Cancer Discov. 2018 Jul;8(7):836-849. doi: 10.1158/2159-8290.CD-18-0338. Epub 2018 Apr 15." Approved; Investigational OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1 23611 Pralsetinib CHEMBL4582651 2394936 DB15822 Pralsetinib BE0001124 DDR1 Q08345 DDR1_HUMAN inhibitor Approved; Investigational OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1 23611 Pralsetinib CHEMBL4582651 2394936 DB15822 Pralsetinib BE0009501 NTRK3 Q16288 NTRK3_HUMAN inhibitor Approved; Investigational OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1 23611 Pralsetinib CHEMBL4582651 2394936 DB15822 Pralsetinib BE0004145 JAK1 P23458 JAK1_HUMAN inhibitor Approved; Investigational OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1 23611 Pralsetinib CHEMBL4582651 2394936 DB15822 Pralsetinib BE0002408 JAK2 O60674 JAK2_HUMAN inhibitor Approved; Investigational OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1 23611 Pralsetinib CHEMBL4582651 2394936 DB15822 Pralsetinib BE0001039 NTRK1 P04629 NTRK1_HUMAN inhibitor Approved; Investigational OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1 23611 Pralsetinib CHEMBL4582651 2394936 DB15822 Pralsetinib BE0002131 FGFR1 P11362 FGFR1_HUMAN inhibitor Approved; Investigational OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1 23611 Pralsetinib CHEMBL4582651 2394936 DB15822 Pralsetinib BE0000748 FGFR2 P21802 FGFR2_HUMAN inhibitor Approved; Investigational OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1 23611 Pralsetinib CHEMBL4582651 2394936 DB15982 Berotralstat BE0002440 KLKB1 P03952 KLKB1_HUMAN inhibitor 31635497; 30044938 "Hwang JR, Hwang G, Johri A, Craig T: Oral plasma kallikrein inhibitor BCX7353 for treatment of hereditary angioedema. Immunotherapy. 2019 Dec;11(17):1439-1444. doi: 10.2217/imt-2019-0128. Epub 2019 Oct 22.@@Aygoren-Pursun E, Bygum A, Grivcheva-Panovska V, Magerl M, Graff J, Steiner UC, Fain O, Huissoon A, Kinaciyan T, Farkas H, Lleonart R, Longhurst HJ, Rae W, Triggiani M, Aberer W, Cancian M, Zanichelli A, Smith WB, Baeza ML, Du-Thanh A, Gompels M, Gonzalez-Quevedo T, Greve J, Guilarte M, Katelaris C, Dobo S, Cornpropst M, Clemons D, Fang L, Collis P, Sheridan W, Maurer M, Cicardi M: Oral Plasma Kallikrein Inhibitor for Prophylaxis in Hereditary Angioedema. N Engl J Med. 2018 Jul 26;379(4):352-362. doi: 10.1056/NEJMoa1716995." Approved "Protease Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Kallikrein Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Drugs Used in Hereditary Angioedema; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Blood and Blood Forming Organs; Plasma Kallikrein Inhibitor; Serine Protease Inhibitors; Kallikreins, antagonists & inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents" NCC1=CC(=CC=C1)N1N=C(C=C1C(=O)NC1=CC(=CC=C1F)[C@H](NCC1CC1)C1=CC=CC(=C1)C#N)C(F)(F)F 23739 Berotralstat 2467540 DB16007 Rurioctocog alfa pegol BE0001043 VWF P04275 VWF_HUMAN binder Approved; Experimental Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Biological Factors; Coagulants; Factor VIII; Hemostatics; Hematologic Agents; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Pegylated agents; Amino Acids, Peptides, and Proteins" Factor_VIII_(medication) DB16007 Rurioctocog alfa pegol BE0000016 F8 P00451 FA8_HUMAN regulator 33150384 "Klamroth R, Windyga J, Radulescu V, Collins PW, Stasyshyn O, Ibrahim HM, Engl W, Tangada SD, Savage W, Ewenstein B: Rurioctocog alfa pegol PK-guided prophylaxis in hemophilia A: results from the phase 3 PROPEL study. Blood. 2021 Apr 1;137(13):1818-1827. doi: 10.1182/blood.2020005673." Approved; Experimental Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Biological Factors; Coagulants; Factor VIII; Hemostatics; Hematologic Agents; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Pegylated agents; Amino Acids, Peptides, and Proteins" Factor_VIII_(medication) DB16098 Atogepant BE0009009 CALCRL Q16602 CALRL_HUMAN antagonist Approved; Investigational BCRP/ABCG2 Substrates; OATP1B1/SLCO1B1 Inhibitors; OATP1B3 inhibitors; Calcitonin Gene-Related Peptide Receptor Antagonists; Cytochrome P-450 Substrates; OATP1B3 substrates; Antimigraine Preparations; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; MATE inhibitors; OATP1B1/SLCO1B1 Substrates; Nervous System; Calcitonin Gene-Related Peptide (CGRP) Antagonists; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Analgesics; MATE 1 Inhibitors C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC2=C4C=CC=N2)C(=O)N1CC(F)(F)F)C1=C(F)C(F)=CC=C1F 23812 Atogepant CHEMBL3991065 2571813 DB16099 Avalglucosidase alfa BE0003623 IGF2R P11717 MPRI_HUMAN ligand Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Hydrolytic Lysosomal Glycogen-specific Enzyme; Enzyme Replacement Therapy; Enzymes and Coenzymes; Alimentary Tract and Metabolism; Enzymes 23680 Avalglucosidase_alfa 2565814 DB16165 Finerenone BE0000668 NR3C2 P08235 MCR_HUMAN antagonist 34233330 "Trujillo H, Caravaca-Fontan F, Caro J, Morales E, Praga M: The Forgotten Antiproteinuric Properties of Diuretics. Am J Nephrol. 2021 Jul 7:1-15. doi: 10.1159/000517020." Approved; Investigational "Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Diuretics; Cytochrome P-450 CYP3A Substrates; Mineralocorticoid Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Nonsteroidal Mineralocorticoid-Receptor Antagonist; Cytochrome P-450 CYP2C8 Substrates" CCOC1=NC=C(C)C2=C1[C@H](C1=CC=C(C=C1OC)C#N)C(C(N)=O)=C(C)N2 23792 Finerenone CHEMBL2181927 2562811 DB16217 Leniolisib BE0002406 PIK3CD O00329 PK3CD_HUMAN inhibitor 28972011; 28947947 "Rao VK, Webster S, Dalm VASH, Sediva A, van Hagen PM, Holland S, Rosenzweig SD, Christ AD, Sloth B, Cabanski M, Joshi AD, de Buck S, Doucet J, Guerini D, Kalis C, Pylvaenaeinen I, Soldermann N, Kashyap A, Uzel G, Lenardo MJ, Patel DD, Lucas CL, Burkhart C: Effective ""activated PI3Kdelta syndrome""-targeted therapy with the PI3Kdelta inhibitor leniolisib. Blood. 2017 Nov 23;130(21):2307-2316. doi: 10.1182/blood-2017-08-801191. Epub 2017 Sep 29.@@Hoegenauer K, Soldermann N, Zecri F, Strang RS, Graveleau N, Wolf RM, Cooke NG, Smith AB, Hollingworth GJ, Blanz J, Gutmann S, Rummel G, Littlewood-Evans A, Burkhart C: Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors. ACS Med Chem Lett. 2017 Aug 25;8(9):975-980. doi: 10.1021/acsmedchemlett.7b00293. eCollection 2017 Sep 14." Approved; Investigational BCRP/ABCG2 Substrates; Cytochrome P-450 CYP3A5 Substrates; Kinase Inhibitor; OATP1B1/SLCO1B1 Inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; P-glycoprotein substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) CCC(=O)N1CC[C@@H](C1)NC1=C2CN(CCC2=NC=N1)C1=CN=C(OC)C(=C1)C(F)(F)F Leniolisib CHEMBL3643413 2633005 DB16220 Lonapegsomatropin BE0000075 GHR P10912 GHR_HUMAN ligand 16917171; 16965663; 17082603; 17128263; 17133434; 11752352; 22291494 "Walenkamp MJ, Wit JM: Genetic disorders in the growth hormone - insulin-like growth factor-I axis. Horm Res. 2006;66(5):221-30.@@Wu XY, Xu Z, Chen C, Liu FK, Li JS: [Correlation of growth hormone receptor expression to preoperative radiosensitivity of rectal cancer patients]. Ai Zheng. 2006 Sep;25(9):1162-7.@@Adriani M, Garbi C, Amodio G, Russo I, Giovannini M, Amorosi S, Matrecano E, Cosentini E, Candotti F, Pignata C: Functional interaction of common gamma-chain and growth hormone receptor signaling apparatus. J Immunol. 2006 Nov 15;177(10):6889-95.@@Choi JH, Kim HS, Kim SH, Yang YR, Bae YS, Chang JS, Kwon HM, Ryu SH, Suh PG: Phospholipase Cgamma1 negatively regulates growth hormone signalling by forming a ternary complex with Jak2 and protein tyrosine phosphatase-1B. Nat Cell Biol. 2006 Dec;8(12):1389-97. Epub 2006 Nov 26.@@Bernstein RM, Leigh SR, Donovan SM, Monaco MH: Hormones and body size evolution in papionin primates. Am J Phys Anthropol. 2007 Feb;132(2):247-60.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Reh CS, Geffner ME: Somatotropin in the treatment of growth hormone deficiency and Turner syndrome in pediatric patients: a review. Clin Pharmacol. 2010;2:111-22. doi: 10.2147/CPAA.S6525. Epub 2010 Jun 1." Approved; Investigational "Cytochrome P-450 CYP1A2 Inducers; Recombinant Human Growth Hormone; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Somatropin and Somatropin Agonists; Cytochrome P-450 Enzyme Inhibitors; Prodrugs; Anterior Pituitary Lobe Hormones and Analogues; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Hormones; Growth Hormone; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Peptides; Peptide Hormones; Cytochrome P-450 CYP2C19 Inhibitors; Pituitary Hormones, Anterior; Pituitary Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" Lonapegsomatropin 2569562 DB16220 Lonapegsomatropin BE0000345 PRLR P16471 PRLR_HUMAN ligand 17279774; 17395896; 17317019; 2270485 "Keeler C, Jablonski EM, Albert YB, Taylor BD, Myszka DG, Clevenger CV, Hodsdon ME: The kinetics of binding human prolactin, but not growth hormone, to the prolactin receptor vary over a physiologic pH range. Biochemistry. 2007 Mar 6;46(9):2398-410. Epub 2007 Feb 6.@@Ahmed TA, Buzzelli MD, Lang CH, Capen JB, Shumate ML, Navaratnarajah M, Nagarajan M, Cooney RN: Interleukin-6 inhibits growth hormone-mediated gene expression in hepatocytes. Am J Physiol Gastrointest Liver Physiol. 2007 Jun;292(6):G1793-803. Epub 2007 Mar 29.@@Moderscheim TA, Gorba T, Pathipati P, Kokay IC, Grattan DR, Williams CE, Scheepens A: Prolactin is involved in glial responses following a focal injury to the juvenile rat brain. Neuroscience. 2007 Mar 30;145(3):963-73. Epub 2007 Feb 20.@@Cunningham BC, Bass S, Fuh G, Wells JA: Zinc mediation of the binding of human growth hormone to the human prolactin receptor. Science. 1990 Dec 21;250(4988):1709-12." Approved; Investigational "Cytochrome P-450 CYP1A2 Inducers; Recombinant Human Growth Hormone; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Somatropin and Somatropin Agonists; Cytochrome P-450 Enzyme Inhibitors; Prodrugs; Anterior Pituitary Lobe Hormones and Analogues; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Hormones; Growth Hormone; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Peptides; Peptide Hormones; Cytochrome P-450 CYP2C19 Inhibitors; Pituitary Hormones, Anterior; Pituitary Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists" Lonapegsomatropin 2569562 DB16226 Maralixibat BE0003643 SLC10A2 Q12908 NTCP2_HUMAN inhibitor 32653991 "Karpen SJ, Kelly D, Mack C, Stein P: Ileal bile acid transporter inhibition as an anticholestatic therapeutic target in biliary atresia and other cholestatic disorders. Hepatol Int. 2020 Sep;14(5):677-689. doi: 10.1007/s12072-020-10070-w. Epub 2020 Jul 11." Approved; Investigational "Ileal Bile Acid Transporter Inhibitor; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Enzyme Inhibitors; Ileal bile acid transport inhibitor; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A4 Inhibitors (weak); Bile Therapy; Bile and Liver Therapy; Alimentary Tract and Metabolism" CCCCC1(CCCC)CS(=O)(=O)C2=CC=C(C=C2[C@H]([C@H]1O)C1=CC=C(OCC2=CC=C(C[N+]34CCN(CC3)CC4)C=C2)C=C1)N(C)C 23865 PA166268803 Maralixibat_chloride CHEMBL363392 2571074 DB16236 Mitapivat BE0002090 CYP19A1 P11511 CP19A_HUMAN inhibitor 34987744 "Al-Samkari H, van Beers EJ: Mitapivat, a novel pyruvate kinase activator, for the treatment of hereditary hemolytic anemias. Ther Adv Hematol. 2021 Dec 21;12:20406207211066070. doi: 10.1177/20406207211066070. eCollection 2021." Approved; Investigational "UGT1A1 Inducers; Pyruvate Kinase Activator; Cytochrome P-450 CYP3A Substrates; Enzyme Activators; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Sulfonamides; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Heterocyclic Compounds, Fused-Ring; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Anemia, Hemolytic, Congenital, drug therapy; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Gynecological Antiinfectives and Antiseptics; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates" O=C(N1CCN(CC2CC2)CC1)C1=CC=C(NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C=C1 Mitapivat CHEMBL4299940 2594468 DB16255 Nidufexor BE0001777 NR1H4 Q96RI1 NR1H4_HUMAN agonist 31940200; 33849361 "Chianelli D, Rucker PV, Roland J, Tully DC, Nelson J, Liu X, Bursulaya B, Hernandez ED, Wu J, Prashad M, Schlama T, Liu Y, Chu A, Schmeits J, Huang DJ, Hill R, Bao D, Zoll J, Kim Y, Groessl T, McNamara P, Liu B, Richmond W, Sancho-Martinez I, Phimister A, Seidel HM, Badman MK, Joseph SB, Laffitte B, Molteni V: Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis. J Med Chem. 2020 Apr 23;63(8):3868-3880. doi: 10.1021/acs.jmedchem.9b01621. Epub 2020 Feb 5.@@Fiorucci S, Biagioli M, Baldoni M, Ricci P, Sepe V, Zampella A, Distrutti E: The identification of farnesoid X receptor modulators as treatment options for nonalcoholic fatty liver disease. Expert Opin Drug Discov. 2021 Oct;16(10):1193-1208. doi: 10.1080/17460441.2021.1916465. Epub 2021 May 5." Investigational CN1N=C(C(=O)N(CC2=CC=CC=C2)CC2=CC=C(C=C2)C(O)=O)C2=C1C1=C(OC2)C=CC(Cl)=C1 CHEMBL4297626 DB16261 Odevixibat BE0003643 SLC10A2 Q12908 NTCP2_HUMAN inhibitor 32653991 "Karpen SJ, Kelly D, Mack C, Stein P: Ileal bile acid transporter inhibition as an anticholestatic therapeutic target in biliary atresia and other cholestatic disorders. Hepatol Int. 2020 Sep;14(5):677-689. doi: 10.1007/s12072-020-10070-w. Epub 2020 Jul 11." Approved; Investigational "Fatty Acids, Volatile; Benzazepines; Ileal Bile Acid Transporter Inhibitor; Heterocyclic Compounds, Fused-Ring; Ileal bile acid transport inhibitor; Lipids; Acids, Acyclic; Fatty Acids; Bile Therapy; P-glycoprotein substrates; Bile and Liver Therapy; Alimentary Tract and Metabolism" CCCCC1(CCCC)CN(C2=CC=CC=C2)C2=CC(SC)=C(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)C3=CC=C(O)C=C3)C=C2S(=O)(=O)N1 23889 PA166268805 Odevixibat CHEMBL4297588 2563966 DB16267 Olutasidenib BE0001251 IDH1 O75874 IDHC_HUMAN inhibitor 31971798 "Caravella JA, Lin J, Diebold RB, Campbell AM, Ericsson A, Gustafson G, Wang Z, Castro J, Clarke A, Gotur D, Josephine HR, Katz M, Kershaw M, Yao L, Toms AV, Barr KJ, Dinsmore CJ, Walker D, Ashwell S, Lu W: Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor. J Med Chem. 2020 Feb 27;63(4):1612-1623. doi: 10.1021/acs.jmedchem.9b01423. Epub 2020 Feb 12.@@de la Fuente MI, Colman H, Rosenthal M, Van Tine BA, Levacic D, Walbert T, Gan HK, Vieito M, Milhem MM, Lipford K, Forsyth S, Guichard SM, Mikhailov Y, Sedkov A, Brevard J, Kelly PF, Mohamed H, Monga V: Olutasidenib (FT-2102) in patients with relapsed or refractory IDH1-mutant glioma: a multicenter, open-label, phase 1b/2 trial Neuro-oncology." Approved; Investigational "OATP1B1/SLCO1B1 Inhibitors; Isocitrate Dehydrogenase-1 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Isocitrate dehydrogenase-1 (IDH1) inhibitors; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); OAT3/SLC22A8 Inhibitors; MATE 2 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates" C[C@H](NC1=CC=C(C#N)N(C)C1=O)C1=CC2=C(NC1=O)C=CC(Cl)=C2 Olutasidenib CHEMBL4297610 2623641 DB16279 Pecavaptan BE0000165 AVPR1A P37288 V1AR_HUMAN antagonist 32946151 "Mondritzki T, Mai TA, Vogel J, Pook E, Wasnaire P, Schmeck C, Huser J, Dinh W, Truebel H, Kolkhof P: Cardiac output improvement by pecavaptan: a novel dual-acting vasopressin V1a/V2 receptor antagonist in experimental heart failure. Eur J Heart Fail. 2021 May;23(5):743-750. doi: 10.1002/ejhf.2001. Epub 2020 Oct 9." Investigational C[C@H](O)C1=NC(CN2N=C(N(C[C@H](O)C(F)(F)F)C2=O)C2=CC=C(Cl)C=C2)=NN1C1=CC(Cl)=CC=C1 DB16309 Revusiran BE0000337 TTR P02766 TTHY_HUMAN regulator 32062791 "Judge DP, Kristen AV, Grogan M, Maurer MS, Falk RH, Hanna M, Gillmore J, Garg P, Vaishnaw AK, Harrop J, Powell C, Karsten V, Zhang X, Sweetser MT, Vest J, Hawkins PN: Phase 3 Multicenter Study of Revusiran in Patients with Hereditary Transthyretin-Mediated (hATTR) Amyloidosis with Cardiomyopathy (ENDEAVOUR). Cardiovasc Drugs Ther. 2020 Jun;34(3):357-370. doi: 10.1007/s10557-019-06919-4." Investigational "RNA, Antisense; RNA, Untranslated; RNA, Small Untranslated; Nucleic Acids; Nucleic Acids, Nucleotides, and Nucleosides; Nucleic Acid Probes; Antisense Elements (Genetics); Molecular Probes" DB16343 Tropifexor BE0001777 NR1H4 Q96RI1 NR1H4_HUMAN agonist 31823525; 31940200; 33952610; 33049605; 29148806; 33783400; 33121679; 31388629; 33894097; 32702169; 33849361 "Badman MK, Chen J, Desai S, Vaidya S, Neelakantham S, Zhang J, Gan L, Danis K, Laffitte B, Klickstein LB: Safety, Tolerability, Pharmacokinetics, and Pharmacodynamics of the Novel Non-Bile Acid FXR Agonist Tropifexor (LJN452) in Healthy Volunteers. Clin Pharmacol Drug Dev. 2020 Apr;9(3):395-410. doi: 10.1002/cpdd.762. Epub 2019 Dec 10.@@Chianelli D, Rucker PV, Roland J, Tully DC, Nelson J, Liu X, Bursulaya B, Hernandez ED, Wu J, Prashad M, Schlama T, Liu Y, Chu A, Schmeits J, Huang DJ, Hill R, Bao D, Zoll J, Kim Y, Groessl T, McNamara P, Liu B, Richmond W, Sancho-Martinez I, Phimister A, Seidel HM, Badman MK, Joseph SB, Laffitte B, Molteni V: Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis. J Med Chem. 2020 Apr 23;63(8):3868-3880. doi: 10.1021/acs.jmedchem.9b01621. Epub 2020 Feb 5.@@Wang-Lakshman L, Miao Z, Wang L, Gu H, Kagan M, Gu J, McNamara E, Walles M, Woessner R, Camenisch G, Einolf HJ, Chen J: Evaluation of the Absorption, Metabolism, and Excretion of a Single Oral 1-mg Dose of Tropifexor in Healthy Male Subjects and the Concentration Dependence of Tropifexor Metabolism. Drug Metab Dispos. 2021 Jul;49(7):548-562. doi: 10.1124/dmd.120.000349. Epub 2021 May 5.@@Luo G, Lin X, Li Z, Xiao M, Li X, Zhang D, Xiang H: Structure-guided modification of isoxazole-type FXR agonists: Identification of a potent and orally bioavailable FXR modulator. Eur J Med Chem. 2021 Jan 1;209:112910. doi: 10.1016/j.ejmech.2020.112910. Epub 2020 Oct 7.@@Tully DC, Rucker PV, Chianelli D, Williams J, Vidal A, Alper PB, Mutnick D, Bursulaya B, Schmeits J, Wu X, Bao D, Zoll J, Kim Y, Groessl T, McNamara P, Seidel HM, Molteni V, Liu B, Phimister A, Joseph SB, Laffitte B: Discovery of Tropifexor (LJN452), a Highly Potent Non-bile Acid FXR Agonist for the Treatment of Cholestatic Liver Diseases and Nonalcoholic Steatohepatitis (NASH). J Med Chem. 2017 Dec 28;60(24):9960-9973. doi: 10.1021/acs.jmedchem.7b00907. Epub 2017 Dec 8.@@Liu Y, Xiao Y, Chen S, Tian X, Wang W, Wang Y, Cai W: The Farnesoid X Receptor Agonist Tropifexor Prevents Liver Damage in Parenteral Nutrition-fed Neonatal Piglets. J Pediatr Gastroenterol Nutr. 2021 Jul 1;73(1):e11-e19. doi: 10.1097/MPG.0000000000003135.@@Jiang L, Xiao D, Li Y, Dai S, Qu L, Chen X, Guo M, Wei H, Chen Y: Structural basis of tropifexor as a potent and selective agonist of farnesoid X receptor. Biochem Biophys Res Commun. 2021 Jan 1;534:1047-1052. doi: 10.1016/j.bbrc.2020.10.039. Epub 2020 Oct 26.@@Hernandez ED, Zheng L, Kim Y, Fang B, Liu B, Valdez RA, Dietrich WF, Rucker PV, Chianelli D, Schmeits J, Bao D, Zoll J, Dubois C, Federe GC, Chen L, Joseph SB, Klickstein LB, Walker J, Molteni V, McNamara P, Meeusen S, Tully DC, Badman MK, Xu J, Laffitte B: Tropifexor-Mediated Abrogation of Steatohepatitis and Fibrosis Is Associated With the Antioxidative Gene Expression Profile in Rodents. Hepatol Commun. 2019 May 17;3(8):1085-1097. doi: 10.1002/hep4.1368. eCollection 2019 Aug.@@Xiao Y, Wang Y, Liu Y, Wang W, Tian X, Chen S, Lu Y, Du J, Cai W: A nonbile acid farnesoid X receptor agonist tropifexor potently inhibits cholestatic liver injury and fibrosis by modulating the gut-liver axis. Liver Int. 2021 Sep;41(9):2117-2131. doi: 10.1111/liv.14906. Epub 2021 May 18.@@Camilleri M, Nord SL, Burton D, Oduyebo I, Zhang Y, Chen J, Im K, Bhad P, Badman MK, Sanders DS, Walters JRF: Randomised clinical trial: significant biochemical and colonic transit effects of the farnesoid X receptor agonist tropifexor in patients with primary bile acid diarrhoea. Aliment Pharmacol Ther. 2020 Sep;52(5):808-820. doi: 10.1111/apt.15967. Epub 2020 Jul 23.@@Fiorucci S, Biagioli M, Baldoni M, Ricci P, Sepe V, Zampella A, Distrutti E: The identification of farnesoid X receptor modulators as treatment options for nonalcoholic fatty liver disease. Expert Opin Drug Discov. 2021 Oct;16(10):1193-1208. doi: 10.1080/17460441.2021.1916465. Epub 2021 May 5." Investigational "Thiazoles; Heterocyclic Compounds, Fused-Ring" OC(=O)C1=CC(F)=C2N=C(SC2=C1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1=C(ON=C1C1=C(OC(F)(F)F)C=CC=C1)C1CC1 Tropifexor CHEMBL4298169 DB16349 Vicagrel BE0000110 P2RY12 Q9H244 P2Y12_HUMAN antagonist 32056160; 33935793; 29154109; 33424602; 29973877; 32267573; 30326264; 33244163; 31977858 "Schilling U, Dingemanse J, Ufer M: Pharmacokinetics and Pharmacodynamics of Approved and Investigational P2Y12 Receptor Antagonists. Clin Pharmacokinet. 2020 May;59(5):545-566. doi: 10.1007/s40262-020-00864-4.@@Liu S, Wang Z, Tian X, Cai W: Corrigendum: Predicting the Effects of CYP2C19 and Carboxylesterases on Vicagrel, a Novel P2Y12 Antagonist, by Physiologically Based Pharmacokinetic/Pharmacodynamic Modeling Approach. Front Pharmacol. 2021 Apr 16;12:668861. doi: 10.3389/fphar.2021.668861. eCollection 2021.@@Liu C, Lu Y, Sun H, Yang J, Liu Y, Lai X, Gong Y, Liu X, Li Y, Zhang Y, Chen X, Zhong D: Development and validation of a sensitive and rapid UHPLC-MS/MS method for the simultaneous quantification of the common active and inactive metabolites of vicagrel and clopidogrel in human plasma. J Pharm Biomed Anal. 2018 Feb 5;149:394-402. doi: 10.1016/j.jpba.2017.11.019. Epub 2017 Nov 6.@@Liu S, Wang Z, Tian X, Cai W: Predicting the Effects of CYP2C19 and Carboxylesterases on Vicagrel, a Novel P2Y12 Antagonist, by Physiologically Based Pharmacokinetic/Pharmacodynamic Modeling Approach. Front Pharmacol. 2020 Dec 8;11:591854. doi: 10.3389/fphar.2020.591854. eCollection 2020.@@Li X, Liu C, Zhu X, Wei H, Zhang H, Chen H, Chen G, Yang D, Sun H, Shen Z, Zhang Y, Li W, Yang J, Liu Y, Lai X, Gong Y, Liu X, Li Y, Zhong D, Niu J, Liu B, Ding Y: Evaluation of Tolerability, Pharmacokinetics and Pharmacodynamics of Vicagrel, a Novel P2Y12 Antagonist, in Healthy Chinese Volunteers. Front Pharmacol. 2018 Jun 20;9:643. doi: 10.3389/fphar.2018.00643. eCollection 2018.@@Zhang Y, Zhu X, Zhan Y, Li X, Liu C, Zhu Y, Zhang H, Wei H, Xia Y, Sun H, Liu Y, Lai X, Gong Y, Liu X, Li Y, Ding Y, Zhong D: Impacts of CYP2C19 genetic polymorphisms on bioavailability and effect on platelet adhesion of vicagrel, a novel thienopyridine P2Y12 inhibitor. Br J Clin Pharmacol. 2020 Sep;86(9):1860-1874. doi: 10.1111/bcp.14296. Epub 2020 Jun 17.@@Liu C, Zhang Y, Chen W, Lu Y, Li W, Liu Y, Lai X, Gong Y, Liu X, Li Y, Chen X, Li X, Sun H, Yang J, Zhong D: Pharmacokinetics and pharmacokinetic/pharmacodynamic relationship of vicagrel, a novel thienopyridine P2Y12 inhibitor, compared with clopidogrel in healthy Chinese subjects following single oral dosing. Eur J Pharm Sci. 2019 Jan 15;127:151-160. doi: 10.1016/j.ejps.2018.10.011. Epub 2018 Oct 13.@@Zheng YD, Zhang H, Zhan Y, Bian YC, Ma S, Gan HX, Lai XJ, Liu YQ, Gong YC, Liu XF, Sun HB, Li YG, Zhong DF, Miao LY, Diao XX: Pharmacokinetics, mass balance, and metabolism of [(14)C]vicagrel, a novel irreversible P2Y12 inhibitor in humans. Acta Pharmacol Sin. 2021 Sep;42(9):1535-1546. doi: 10.1038/s41401-020-00547-7. Epub 2020 Nov 26.@@Li H, Chen H, Chen W, Xu H, Yuan F, Yang M, Sun H, Yang J, Liu Y, Lai X, Gong Y, Liu X, Li Y, Sheng L, Liu C, Li X: Platelet inhibitory activity, tolerability, and safety of vicagrel, a novel thienopyridine P2Y12 inhibitor. Medicine (Baltimore). 2020 Jan;99(4):e18683. doi: 10.1097/MD.0000000000018683." Investigational "Cytochrome P-450 Substrates; Acids, Carbocyclic; Sulfur Compounds; Antiplatelet agents; Cytochrome P-450 CYP2C19 Substrates" COC(=O)[C@@H](N1CCC2=C(C1)C=C(OC(C)=O)S2)C1=C(Cl)C=CC=C1 CHEMBL2042273 DB16353 Razuprotafib BE0003769 PTPRB P23467 PTPRB_HUMAN inhibitor Investigational "Amines; Acids; Sulfur Compounds; Sulfur Acids; Acids, Noncarboxylic" COC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=C(NS(O)(=O)=O)C=C1)C1=CSC(=N1)C1=CC=CS1 CHEMBL3931971 DB16370 Mezagitamab BE0005459 CD38 P28907 CD38_HUMAN inhibitor 32045493 "Fedyk ER, Zhao L, Koch A, Smithson G, Estevam J, Chen G, Lahu G, Roepcke S, Lin J, Mclean L: Safety, tolerability, pharmacokinetics and pharmacodynamics of the anti-CD38 cytolytic antibody TAK-079 in healthy subjects. Br J Clin Pharmacol. 2020 Jul;86(7):1314-1325. doi: 10.1111/bcp.14241. Epub 2020 Feb 22." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" DB16371 Glofitamab BE0010202 CD3D P20963 CD3Z_HUMAN binder Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Bispecific Monoclonal Antibodies; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" 23828 Glofitamab 2639782 DB16390 Mobocertinib BE0000767 EGFR P00533 EGFR_HUMAN inhibitor Approved; Investigational "QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP3A7 Substrates" COC1=C(NC2=NC=C(C(=O)OC(C)C)C(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C Mobocertinib 2570736 DB16407 Azvudine BE0001067 ABCG2 Q9UNQ0 ABCG2_HUMAN regulator 28487144 "Liu Y, Liu B, Zhang Y, Peng Y, Huang C, Wang N, Jiang J, Wang Q, Chang J: Intestinal absorption mechanisms of 2'-deoxy-2'-beta-fluoro-4'-azidocytidine, a cytidine analog for AIDS treatment, and its interaction with P-glycoprotein, multidrug resistance-associated protein 2 and breast cancer resistance protein. Eur J Pharm Sci. 2017 Jul 15;105:150-158. doi: 10.1016/j.ejps.2017.05.009. Epub 2017 May 6." Investigational "Nitrogen Compounds; Experimental Unapproved Treatments for COVID-19; Deoxyribonucleosides; Nucleosides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Pyrimidine Nucleosides" NC1=NC(=O)N(C=C1)[C@@H]1O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]1F Azvudine CHEMBL519846 DB16407 Azvudine BE0001032 ABCB1 P08183 MDR1_HUMAN activator 28487144 "Liu Y, Liu B, Zhang Y, Peng Y, Huang C, Wang N, Jiang J, Wang Q, Chang J: Intestinal absorption mechanisms of 2'-deoxy-2'-beta-fluoro-4'-azidocytidine, a cytidine analog for AIDS treatment, and its interaction with P-glycoprotein, multidrug resistance-associated protein 2 and breast cancer resistance protein. Eur J Pharm Sci. 2017 Jul 15;105:150-158. doi: 10.1016/j.ejps.2017.05.009. Epub 2017 May 6." Investigational "Nitrogen Compounds; Experimental Unapproved Treatments for COVID-19; Deoxyribonucleosides; Nucleosides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Pyrimidine Nucleosides" NC1=NC(=O)N(C=C1)[C@@H]1O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]1F Azvudine CHEMBL519846 DB16411 Camidanlumab tesirine BE0000658 IL2RA P01589 IL2RA_HUMAN antibody 32521310; 32912922 "Goldberg AD, Atallah E, Rizzieri D, Walter RB, Chung KY, Spira A, Stock W, Tallman MS, Cruz HG, Boni J, Havenith KEG, Chao G, Feingold JM, Wuerthner J, Solh M: Camidanlumab tesirine, an antibody-drug conjugate, in relapsed/refractory CD25-positive acute myeloid leukemia or acute lymphoblastic leukemia: A phase I study. Leuk Res. 2020 Aug;95:106385. doi: 10.1016/j.leukres.2020.106385. Epub 2020 Jun 7.@@Zammarchi F, Havenith K, Bertelli F, Vijayakrishnan B, Chivers S, van Berkel PH: CD25-targeted antibody-drug conjugate depletes regulatory T cells and eliminates established syngeneic tumors via antitumor immunity. J Immunother Cancer. 2020 Sep;8(2). pii: jitc-2020-000860. doi: 10.1136/jitc-2020-000860." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Camidanlumab_tesirine DB16416 Vilobelimab BE0000855 C5 P01031 CO5_HUMAN inhibitor 33015643; 28366510 "Vlaar APJ, de Bruin S, Busch M, Timmermans SAMEG, van Zeggeren IE, Koning R, Ter Horst L, Bulle EB, van Baarle FEHP, van de Poll MCG, Kemper EM, van der Horst ICC, Schultz MJ, Horn J, Paulus F, Bos LD, Wiersinga WJ, Witzenrath M, Rueckinger S, Pilz K, Brouwer MC, Guo RF, Heunks L, van Paassen P, Riedemann NC, van de Beek D: Anti-C5a antibody IFX-1 (vilobelimab) treatment versus best supportive care for patients with severe COVID-19 (PANAMO): an exploratory, open-label, phase 2 randomised controlled trial. Lancet Rheumatol. 2020 Dec;2(12):e764-e773. doi: 10.1016/S2665-9913(20)30341-6. Epub 2020 Sep 28.@@Riedemann NC, Habel M, Ziereisen J, Hermann M, Schneider C, Wehling C, Kirschfink M, Kentouche K, Guo R: Controlling the anaphylatoxin C5a in diseases requires a specifically targeted inhibition. Clin Immunol. 2017 Jul;180:25-32. doi: 10.1016/j.clim.2017.03.012. Epub 2017 Mar 30." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Immunoglobulins; Serum Globulins; Experimental Unapproved Treatments for COVID-19; Immunologic Factors; Immunoproteins; Complement Inactivating Agents; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" Vilobelimab 2639620 DB16418 Narsoplimab BE0004630 MASP2 O00187 MASP2_HUMAN antagonist 32681658 "Elhadad S, Chapin J, Copertino D, Van Besien K, Ahamed J, Laurence J: MASP2 levels are elevated in thrombotic microangiopathies: association with microvascular endothelial cell injury and suppression by anti-MASP2 antibody narsoplimab. Clin Exp Immunol. 2021 Jan;203(1):96-104. doi: 10.1111/cei.13497. Epub 2020 Aug 5." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins" DB16446 Vafidemstat BE0010091 KDM1A O60341 KDM1A_HUMAN inhibitor 33755924; 32469975 "Antonijoan RM, Ferrero-Cafiero JM, Coimbra J, Puntes M, Martinez-Colomer J, Arevalo MI, Mascaro C, Molinero C, Buesa C, Maes T: First-in-Human Randomized Trial to Assess Safety, Tolerability, Pharmacokinetics and Pharmacodynamics of the KDM1A Inhibitor Vafidemstat. CNS Drugs. 2021 Mar;35(3):331-344. doi: 10.1007/s40263-021-00797-x. Epub 2021 Mar 23.@@Maes T, Mascaro C, Rotllant D, Lufino MMP, Estiarte A, Guibourt N, Cavalcanti F, Grinan-Ferre C, Pallas M, Nadal R, Armario A, Ferrer I, Ortega A, Valls N, Fyfe M, Martinell M, Castro Palomino JC, Buesa Arjol C: Modulation of KDM1A with vafidemstat rescues memory deficit and behavioral alterations. PLoS One. 2020 May 29;15(5):e0233468. doi: 10.1371/journal.pone.0233468. eCollection 2020." Investigational Oxazoles NC1=NN=C(CN[C@@H]2C[C@H]2C2=CC=C(OCC3=CC=CC=C3)C=C2)O1 DB16453 Efzofitimod BE0010030 NRP2 O60462 NRP2_HUMAN modulator Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Experimental Unapproved Treatments for COVID-19 DB16515 PLN-74809 BE0003576 ITGAV P06756 ITAV_HUMAN Investigational Experimental Unapproved Treatments for COVID-19 DB16515 PLN-74809 BE0003575 ITGB1 P05556 ITB1_HUMAN Investigational Experimental Unapproved Treatments for COVID-19 DB16515 PLN-74809 BE0010033 ITGB6 P18564 ITB6_HUMAN Investigational Experimental Unapproved Treatments for COVID-19 DB16630 OPB-111077 BE0003462 STAT3 P40763 STAT3_HUMAN inhibitor 29511132 "Tolcher A, Flaherty K, Shapiro GI, Berlin J, Witzig T, Habermann T, Bullock A, Rock E, Elekes A, Lin C, Kostic D, Ohi N, Rasco D, Papadopoulos KP, Patnaik A, Smith L, Cote GM: A First-in-Human Phase I Study of OPB-111077, a Small-Molecule STAT3 and Oxidative Phosphorylation Inhibitor, in Patients with Advanced Cancers. Oncologist. 2018 Jun;23(6):658-e72. doi: 10.1634/theoncologist.2017-0325. Epub 2018 Mar 6." Investigational DB16637 KW-2450 free base BE0000033 INSR P06213 INSR_HUMAN inhibitor 30083253 "Umehara H, Maekawa Y, Koizumi F, Shimizu M, Ota T, Fouad TM, Willey J, Kaito H, Shiraishi N, Nakashima D, Akinaga S, Ueno NT: Preclinical and phase I clinical studies of KW-2450, a dual IGF-1R/IR tyrosine kinase inhibitor, in combination with lapatinib and letrozole. Ther Adv Med Oncol. 2018 Jul 30;10:1758835918786858. doi: 10.1177/1758835918786858. eCollection 2018." Experimental "Pyrazoles; Heterocyclic Compounds, Fused-Ring" CC1=C(SC=C1)C(=O)NC1=CC(CN2CCN(CC2)C(=O)CO)=CC=C1\C=C\C1=NNC2=CC=CC=C12 DB16637 KW-2450 free base BE0000858 IGF1R P08069 IGF1R_HUMAN inhibitor 30083253 "Umehara H, Maekawa Y, Koizumi F, Shimizu M, Ota T, Fouad TM, Willey J, Kaito H, Shiraishi N, Nakashima D, Akinaga S, Ueno NT: Preclinical and phase I clinical studies of KW-2450, a dual IGF-1R/IR tyrosine kinase inhibitor, in combination with lapatinib and letrozole. Ther Adv Med Oncol. 2018 Jul 30;10:1758835918786858. doi: 10.1177/1758835918786858. eCollection 2018." Experimental "Pyrazoles; Heterocyclic Compounds, Fused-Ring" CC1=C(SC=C1)C(=O)NC1=CC(CN2CCN(CC2)C(=O)CO)=CC=C1\C=C\C1=NNC2=CC=CC=C12 DB16640 Almonertinib BE0010047 EGFR Q504U8 Q504U8_HUMAN inhibitor 32916310; 33338652; 33546082 "Yang JC, Camidge DR, Yang CT, Zhou J, Guo R, Chiu CH, Chang GC, Shiah HS, Chen Y, Wang CC, Berz D, Su WC, Yang N, Wang Z, Fang J, Chen J, Nikolinakos P, Lu Y, Pan H, Maniam A, Bazhenova L, Shirai K, Jahanzeb M, Willis M, Masood N, Chowhan N, Hsia TC, Jian H, Lu S: Safety, Efficacy, and Pharmacokinetics of Almonertinib (HS-10296) in Pretreated Patients With EGFR-Mutated Advanced NSCLC: A Multicenter, Open-label, Phase 1 Trial. J Thorac Oncol. 2020 Dec;15(12):1907-1918. doi: 10.1016/j.jtho.2020.09.001. Epub 2020 Sep 9.@@Nagasaka M, Zhu VW, Lim SM, Greco M, Wu F, Ou SI: Beyond Osimertinib: The Development of Third-Generation EGFR Tyrosine Kinase Inhibitors For Advanced EGFR+ NSCLC. J Thorac Oncol. 2020 Dec 15. pii: S1556-0864(20)31105-9. doi: 10.1016/j.jtho.2020.11.028.@@Jiang T, Luo Y, Wang B: Almonertinib-induced interstitial lung disease: A case report. Medicine (Baltimore). 2021 Jan 22;100(3):e24393. doi: 10.1097/MD.0000000000024393." Investigational "Heterocyclic Compounds, Fused-Ring; Acrylates; Acids, Acyclic; Amides" COC1=CC(N(C)CCN(C)C)=C(NC(=O)C=C)C=C1NC1=NC(=CC=N1)C1=CN(C2CC2)C2=C1C=CC=C2 DB16650 Deucravacitinib BE0004146 TYK2 P29597 TYK2_HUMAN inhibitor 35241426; 34471993; 34767869; 35960487 "Mease PJ, Deodhar AA, van der Heijde D, Behrens F, Kivitz AJ, Neal J, Kim J, Singhal S, Nowak M, Banerjee S: Efficacy and safety of selective TYK2 inhibitor, deucravacitinib, in a phase II trial in psoriatic arthritis. Ann Rheum Dis. 2022 Mar 3. pii: annrheumdis-2021-221664. doi: 10.1136/annrheumdis-2021-221664.@@Chimalakonda A, Burke J, Cheng L, Catlett I, Tagen M, Zhao Q, Patel A, Shen J, Girgis IG, Banerjee S, Throup J: Selectivity Profile of the Tyrosine Kinase 2 Inhibitor Deucravacitinib Compared with Janus Kinase 1/2/3 Inhibitors. Dermatol Ther (Heidelb). 2021 Oct;11(5):1763-1776. doi: 10.1007/s13555-021-00596-8. Epub 2021 Aug 30.@@Catlett IM, Hu Y, Gao L, Banerjee S, Gordon K, Krueger JG: Molecular and clinical effects of selective tyrosine kinase 2 inhibition with deucravacitinib in psoriasis. J Allergy Clin Immunol. 2021 Nov 10. pii: S0091-6749(21)01690-0. doi: 10.1016/j.jaci.2021.11.001.@@Le AM, Puig L, Torres T: Deucravacitinib for the Treatment of Psoriatic Disease. Am J Clin Dermatol. 2022 Aug 12. pii: 10.1007/s40257-022-00720-0. doi: 10.1007/s40257-022-00720-0." Approved; Investigational Enzyme Inhibitors; Dermatologicals; Janus Kinase Inhibitors; Protein Kinase Inhibitors; OCT1 substrates; Cytochrome P-450 CYP2B6 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Janus Kinase Inhibitor; P-glycoprotein substrates; BCRP/ABCG2 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Selective Immunosuppressants; Tyrosine Kinase Inhibitors; Tyrosine Kinase 2 Inhibitor; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; UGT1A9 Substrates; Cytochrome P-450 CYP1A2 Substrates [2H]C([2H])([2H])NC(=O)C1=C(NC2=CC=CC(C3=NN(C)C=N3)=C2OC)C=C(NC(=O)C2CC2)N=N1 23806 Deucravacitinib CHEMBL4435170 2612087 DB16652 Avotaciclib BE0001082 CDK1 P06493 CDK1_HUMAN inhibitor Investigational NC1=NC=CC(=N1)C1=NC(=C(O)C=C1)C1=NC(N)=NC=C1 DB16655 Teclistamab BE0010202 CD3D P20963 CD3Z_HUMAN antibody 32956453 "Pillarisetti K, Powers G, Luistro L, Babich A, Baldwin E, Li Y, Zhang X, Mendonca M, Majewski N, Nanjunda R, Chin D, Packman K, Elsayed Y, Attar R, Gaudet F: Teclistamab is an active T cell-redirecting bispecific antibody against B-cell maturation antigen for multiple myeloma. Blood Adv. 2020 Sep 22;4(18):4538-4549. doi: 10.1182/bloodadvances.2020002393." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Bispecific Monoclonal Antibodies; Bispecific B-cell maturation antigen (BCMA)-directed CD3 T-cell engager; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins" 23862 Teclistamab 2619426 DB16656 Zotiraciclib BE0002207 CDK9 P50750 CDK9_HUMAN inhibitor 32218815 "Lohmann B, Le Rhun E, Silginer M, Epskamp M, Weller M: Interferon-beta sensitizes human glioblastoma cells to the cyclin-dependent kinase inhibitor, TG02. Oncol Lett. 2020 Apr;19(4):2649-2656. doi: 10.3892/ol.2020.11362. Epub 2020 Jan 30." Investigational "Cyclin-Dependent Kinases, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring" CN1C\C=C\CCOC2=CC(=CC=C2)C2=CC=NC(NC3=CC=CC(C1)=C3)=N2 Zotiraciclib CHEMBL1944698 DB16656 Zotiraciclib BE0000839 FYN P06241 FYN_HUMAN inhibitor 33714981 "Chen R, Tsai J, Thompson PA, Chen Y, Xiong P, Liu C, Burrows F, Sivina M, Burger JA, Keating MJ, Wierda WG, Plunkett W: The multi-kinase inhibitor TG02 induces apoptosis and blocks B-cell receptor signaling in chronic lymphocytic leukemia through dual mechanisms of action. Blood Cancer J. 2021 Mar 13;11(3):57. doi: 10.1038/s41408-021-00436-0." Investigational "Cyclin-Dependent Kinases, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring" CN1C\C=C\CCOC2=CC(=CC=C2)C2=CC=NC(NC3=CC=CC(C1)=C3)=N2 Zotiraciclib CHEMBL1944698 DB16656 Zotiraciclib BE0000842 LCK P06239 LCK_HUMAN inhibitor 33714981 "Chen R, Tsai J, Thompson PA, Chen Y, Xiong P, Liu C, Burrows F, Sivina M, Burger JA, Keating MJ, Wierda WG, Plunkett W: The multi-kinase inhibitor TG02 induces apoptosis and blocks B-cell receptor signaling in chronic lymphocytic leukemia through dual mechanisms of action. Blood Cancer J. 2021 Mar 13;11(3):57. doi: 10.1038/s41408-021-00436-0." Investigational "Cyclin-Dependent Kinases, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring" CN1C\C=C\CCOC2=CC(=CC=C2)C2=CC=NC(NC3=CC=CC(C1)=C3)=N2 Zotiraciclib CHEMBL1944698 DB16657 Vecabrutinib BE0001284 BTK Q06187 BTK_HUMAN inhibitor 31028669; 33275726; 31591468 "Bond DA, Woyach JA: Targeting BTK in CLL: Beyond Ibrutinib. Curr Hematol Malig Rep. 2019 Jun;14(3):197-205. doi: 10.1007/s11899-019-00512-0.@@Castillo JJ, Treon SP: Management of Waldenstrom macroglobulinemia in 2020. Hematology Am Soc Hematol Educ Program. 2020 Dec 4;2020(1):372-379. doi: 10.1182/hematology.2020000121.@@Castillo JJ, Treon SP: What is new in the treatment of Waldenstrom macroglobulinemia? Leukemia. 2019 Nov;33(11):2555-2562. doi: 10.1038/s41375-019-0592-8. Epub 2019 Oct 7." Investigational Amines NC(=O)[C@H]1CCN(C[C@@H]1N1CCC[C@@H](NC2=CC(=CC(Cl)=C2)C(F)(F)F)C1=O)C1=NC=NC(N)=C1F CHEMBL4297640 DB16662 Efanesoctocog alfa BE0000216 F10 P00742 FA10_HUMAN binder 12406064 "Saenko EL, Ananyeva NM, Tuddenham EG, Kemball-Cook G: Factor VIII - novel insights into form and function. Br J Haematol. 2002 Nov;119(2):323-31. doi: 10.1046/j.1365-2141.2002.03793.x." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Biological Factors; Hemostatics; Factor VIII; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins; Recombinant Fusion Proteins" 2631083 DB16662 Efanesoctocog alfa BE0000942 LRP2 P98164 LRP2_HUMAN binder 12406064; 20838749 "Saenko EL, Ananyeva NM, Tuddenham EG, Kemball-Cook G: Factor VIII - novel insights into form and function. Br J Haematol. 2002 Nov;119(2):323-31. doi: 10.1046/j.1365-2141.2002.03793.x.@@Pisal DS, Balu-Iyer SV: Phospholipid binding improves plasma survival of factor VIII. Thromb Haemost. 2010 Nov;104(5):1073-5. doi: 10.1160/TH10-06-0422. Epub 2010 Sep 13." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Biological Factors; Hemostatics; Factor VIII; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins; Recombinant Fusion Proteins" 2631083 DB16662 Efanesoctocog alfa BE0001031 HSPG2 P98160 PGBM_HUMAN binder 12406064 "Saenko EL, Ananyeva NM, Tuddenham EG, Kemball-Cook G: Factor VIII - novel insights into form and function. Br J Haematol. 2002 Nov;119(2):323-31. doi: 10.1046/j.1365-2141.2002.03793.x." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Recombinant Proteins; Biological Factors; Hemostatics; Factor VIII; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins; Recombinant Fusion Proteins" 2631083 DB16672 Epcoritamab BE0000274 CD3E P07766 CD3E_HUMAN binder 36548927 "Thieblemont C, Phillips T, Ghesquieres H, Cheah CY, Clausen MR, Cunningham D, Do YR, Feldman T, Gasiorowski R, Jurczak W, Kim TM, Lewis DJ, van der Poel M, Poon ML, Cota Stirner M, Kilavuz N, Chiu C, Chen M, Sacchi M, Elliott B, Ahmadi T, Hutchings M, Lugtenburg PJ: Epcoritamab, a Novel, Subcutaneous CD3xCD20 Bispecific T-Cell-Engaging Antibody, in Relapsed or Refractory Large B-Cell Lymphoma: Dose Expansion in a Phase I/II Trial. J Clin Oncol. 2023 Apr 20;41(12):2238-2247. doi: 10.1200/JCO.22.01725. Epub 2022 Dec 22." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Immunoglobulins; Immunotherapy; Serum Globulins; Cancer immunotherapy; Bispecific Monoclonal Antibodies; Antibodies, Monoclonal, Humanized; Increased Cytokine Production; CD3-directed Antibody Interactions; Proteins; Blood Proteins; CD20-directed Antibody Interactions; Amino Acids, Peptides, and Proteins; Antineoplastic Agents" 23879 Epcoritamab 2637392 DB16678 Talquetamab BE0010289 CD3D P20963 CD3Z_HUMAN antibody 32040549 "Pillarisetti K, Edavettal S, Mendonca M, Li Y, Tornetta M, Babich A, Majewski N, Husovsky M, Reeves D, Walsh E, Chin D, Luistro L, Joseph J, Chu G, Packman K, Shetty S, Elsayed Y, Attar R, Gaudet F: A T-cell-redirecting bispecific G-protein-coupled receptor class 5 member D x CD3 antibody to treat multiple myeloma. Blood. 2020 Apr 9;135(15):1232-1243. doi: 10.1182/blood.2019003342." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Bispecific Monoclonal Antibodies; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins" Talquetamab 2644447 DB16684 Odronextamab BE0010202 CD3D P20963 CD3Z_HUMAN binder 32521386; 26659273 "Tun AM, Ansell SM: Immunotherapy in Hodgkin and non-Hodgkin lymphoma: Innate, adaptive and targeted immunological strategies. Cancer Treat Rev. 2020 Aug;88:102042. doi: 10.1016/j.ctrv.2020.102042. Epub 2020 May 30.@@Smith EJ, Olson K, Haber LJ, Varghese B, Duramad P, Tustian AD, Oyejide A, Kirshner JR, Canova L, Menon J, Principio J, MacDonald D, Kantrowitz J, Papadopoulos N, Stahl N, Yancopoulos GD, Thurston G, Davis S: A novel, native-format bispecific antibody triggering T-cell killing of B-cells is robustly active in mouse tumor models and cynomolgus monkeys. Sci Rep. 2015 Dec 11;5:17943. doi: 10.1038/srep17943." Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" DB16694 Pegcetacoplan BE0003455 C3 P01024 CO3_HUMAN binder Approved "Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Selective Immunosuppressants; Peptides; Complement Inactivating Agents; Complement Inactivator Proteins; Amino Acids, Peptides, and Proteins" 23809 D11613 Pegcetacoplan 2557372 DB16695 Amivantamab BE0000767 EGFR P00533 EGFR_HUMAN antibody 33839159; 32747419; 32770372 "Neijssen J, Cardoso RMF, Chevalier KM, Wiegman L, Valerius T, Anderson GM, Moores SL, Schuurman J, Parren PWHI, Strohl WR, Chiu ML: Discovery of amivantamab (JNJ-61186372), a bispecific antibody targeting EGFR and MET. J Biol Chem. 2021 Apr 8:100641. doi: 10.1016/j.jbc.2021.100641.@@Vijayaraghavan S, Lipfert L, Chevalier K, Bushey BS, Henley B, Lenhart R, Sendecki J, Beqiri M, Millar HJ, Packman K, Lorenzi MV, Laquerre S, Moores SL: Amivantamab (JNJ-61186372), an Fc Enhanced EGFR/cMet Bispecific Antibody, Induces Receptor Downmodulation and Antitumor Activity by Monocyte/Macrophage Trogocytosis. Mol Cancer Ther. 2020 Oct;19(10):2044-2056. doi: 10.1158/1535-7163.MCT-20-0071. Epub 2020 Aug 3.@@Cavaliere A, Sun S, Lee S, Bodner J, Li Z, Huang Y, Moores SL, Marquez-Nostra B: Development of [(89)Zr]ZrDFO-amivantamab bispecific to EGFR and c-MET for PET imaging of triple-negative breast cancer. Eur J Nucl Med Mol Imaging. 2021 Feb;48(2):383-394. doi: 10.1007/s00259-020-04978-6. Epub 2020 Aug 8." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Immunoproteins; Bispecific Monoclonal Antibodies; Proteins; Globulins; Blood Proteins; Antineoplastic Agents, Immunological; Amino Acids, Peptides, and Proteins; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic Agents" 23711 Amivantamab 2549198 DB16695 Amivantamab BE0000915 MET P08581 MET_HUMAN antagonist 33839159; 32770372 "Neijssen J, Cardoso RMF, Chevalier KM, Wiegman L, Valerius T, Anderson GM, Moores SL, Schuurman J, Parren PWHI, Strohl WR, Chiu ML: Discovery of amivantamab (JNJ-61186372), a bispecific antibody targeting EGFR and MET. J Biol Chem. 2021 Apr 8:100641. doi: 10.1016/j.jbc.2021.100641.@@Cavaliere A, Sun S, Lee S, Bodner J, Li Z, Huang Y, Moores SL, Marquez-Nostra B: Development of [(89)Zr]ZrDFO-amivantamab bispecific to EGFR and c-MET for PET imaging of triple-negative breast cancer. Eur J Nucl Med Mol Imaging. 2021 Feb;48(2):383-394. doi: 10.1007/s00259-020-04978-6. Epub 2020 Aug 8." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antibodies; Antibodies, Monoclonal; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Immunoproteins; Bispecific Monoclonal Antibodies; Proteins; Globulins; Blood Proteins; Antineoplastic Agents, Immunological; Amino Acids, Peptides, and Proteins; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic Agents" 23711 Amivantamab 2549198 DB16697 Glutazumab BE0000857 GLP1R P43220 GLP1R_HUMAN agonist Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Blood Glucose Lowering Agents DB16703 Belumosudil BE0004191 ROCK2 O75116 ROCK2_HUMAN inhibitor 34265047 "Cutler CS, Lee SJ, Arai S, Rotta M, Zoghi B, Lazaryan A, Ramakrishnan A, DeFilipp Z, Salhotra A, Chai-Ho W, Mehta RS, Wang T, Arora M, Pusic I, Saad A, Shah NN, Abhyankar S, Bachier C, Galvin JP, Im A, Langston A, Liesveld JL, Juckett M, Logan A, Schachter L, Alavi A, Howard DS, Waksal H, Ryan J, Eiznhamer D, Aggarwal SK, Ieyoub J, Schueller O, Green LS, Yang Z, Krenz H, Jagasia M, Blazar BR, Pavletic SZ: Belumosudil for Chronic Graft-versus-Host Disease (cGVHD) After 2 or More Prior Lines of Therapy: The ROCKstar Study. Blood. 2021 Jul 15. pii: 476399. doi: 10.1182/blood.2021012021." Approved; Investigational "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Acetates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Selective Immunosuppressants; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CC(C)NC(=O)COC1=CC=CC(=C1)C1=NC2=C(C=CC=C2)C(NC2=CC=C3NN=CC3=C2)=N1 23710 D11815 Belumosudil CHEMBL2005186 2564025 DB16703 Belumosudil BE0001016 ROCK1 Q13464 ROCK1_HUMAN inhibitor Approved; Investigational "OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Acetates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Selective Immunosuppressants; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)" CC(C)NC(=O)COC1=CC=CC(=C1)C1=NC2=C(C=CC=C2)C(NC2=CC=C3NN=CC3=C2)=N1 23710 D11815 Belumosudil CHEMBL2005186 2564025 DB16708 Cipaglucosidase alfa BE0003623 IGF2R P11717 MPRI_HUMAN ligand 30843882; 37184753 "Xu S, Lun Y, Frascella M, Garcia A, Soska R, Nair A, Ponery AS, Schilling A, Feng J, Tuske S, Valle MCD, Martina JA, Ralston E, Gotschall R, Valenzano KJ, Puertollano R, Do HV, Raben N, Khanna R: Improved efficacy of a next-generation ERT in murine Pompe disease. JCI Insight. 2019 Mar 7;4(5). pii: 125358. doi: 10.1172/jci.insight.125358. eCollection 2019 Mar 7.@@Blair HA: Cipaglucosidase Alfa: First Approval. Drugs. 2023 Jun;83(8):739-745. doi: 10.1007/s40265-023-01886-5." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" Enzyme Replacement Therapy; Enzymes and Coenzymes; Alimentary Tract and Metabolism; Enzymes Cipaglucosidase_alfa 2667433 DB16733 Rimtuzalcap BE0004425 KCNN1 Q92952 KCNN1_HUMAN positive allosteric modulator Investigational CC1=NN(C=C1)C1=NC(NC2CCC(F)(F)CC2)=CC(=N1)N1CCOCC1 CHEMBL4650330 DB16733 Rimtuzalcap BE0004426 KCNN2 Q9H2S1 KCNN2_HUMAN positive allosteric modulator Investigational CC1=NN(C=C1)C1=NC(NC2CCC(F)(F)CC2)=CC(=N1)N1CCOCC1 CHEMBL4650330 DB16733 Rimtuzalcap BE0004427 KCNN3 Q9UGI6 KCNN3_HUMAN positive allosteric modulator Investigational CC1=NN(C=C1)C1=NC(NC2CCC(F)(F)CC2)=CC(=N1)N1CCOCC1 CHEMBL4650330 DB16737 MM3122 BE0009920 TMPRSS2 O15393 TMPS2_HUMAN inhibitor 34635581 "Mahoney M, Damalanka VC, Tartell MA, Chung DH, Lourenco AL, Pwee D, Mayer Bridwell AE, Hoffmann M, Voss J, Karmakar P, Azouz NP, Klingler AM, Rothlauf PW, Thompson CE, Lee M, Klampfer L, Stallings CL, Rothenberg ME, Pohlmann S, Whelan SPJ, O'Donoghue AJ, Craik CS, Janetka JW: A novel class of TMPRSS2 inhibitors potently block SARS-CoV-2 and MERS-CoV viral entry and protect human epithelial lung cells. Proc Natl Acad Sci U S A. 2021 Oct 26;118(43). pii: 2108728118. doi: 10.1073/pnas.2108728118." Experimental "Heterocyclic Compounds, Fused-Ring; Thiazoles; Experimental Unapproved Treatments for COVID-19; Peptides; Amino Acids, Peptides, and Proteins" CC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C1=NC2=CC=CC=C2S1 DB16754 TPMPA BE0003619 GABRR3 A8MPY1 GBRR3_HUMAN antagonist 19167917 "Osolodkin DI, Chupakhin VI, Palyulin VA, Zefirov NS: Molecular modeling of ligand-receptor interactions in GABA C receptor. J Mol Graph Model. 2009 Apr;27(7):813-21. doi: 10.1016/j.jmgm.2008.12.004. Epub 2008 Dec 24." Experimental CP(O)(=O)C1=CCNCC1 "(1,2,5,6-Tetrahydropyridin-4-yl)methylphosphinic_acid" CHEMBL397209 DB16756 Ivarmacitinib BE0004145 JAK1 P23458 JAK1_HUMAN inhibitor 34374027 "Zhao Y, Zhang L, Ding Y, Tao X, Ji C, Dong X, Lu J, Wu L, Wang R, Lu Q, Goh AH, Liu R, Zhang Z, Zhang J: Efficacy and Safety of SHR0302, a Highly Selective Janus Kinase 1 Inhibitor, in Patients with Moderate to Severe Atopic Dermatitis: A Phase II Randomized Clinical Trial. Am J Clin Dermatol. 2021 Nov;22(6):877-889. doi: 10.1007/s40257-021-00627-2. Epub 2021 Aug 9." Experimental; Investigational "Janus Kinases, antagonists & inhibitors; Sulfur Compounds; Janus Kinase 1, antagonists & inhibitors" [H][C@@]12C[C@H](C[C@]1([H])CN(C2)C(=O)NC1=NC(OC)=NS1)N(C)C1=NC=NC2=C1C=CN2 DB16826 Repotrectinib BE0009534 ROS1 P08922 ROS1_HUMAN inhibitor Approved; Investigational OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); ROS1 tyrosine kinase inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers C[C@H]1CNC(=O)C2=C3N=C(N[C@H](C)C4=CC(F)=CC=C4O1)C=CN3N=C2 Repotrectinib CHEMBL4298138 2670644 DB16826 Repotrectinib BE0001039 NTRK1 P04629 NTRK1_HUMAN inhibitor Approved; Investigational OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); ROS1 tyrosine kinase inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers C[C@H]1CNC(=O)C2=C3N=C(N[C@H](C)C4=CC(F)=CC=C4O1)C=CN3N=C2 Repotrectinib CHEMBL4298138 2670644 DB16826 Repotrectinib BE0003605 NTRK2 Q16620 NTRK2_HUMAN inhibitor Approved; Investigational OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); ROS1 tyrosine kinase inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers C[C@H]1CNC(=O)C2=C3N=C(N[C@H](C)C4=CC(F)=CC=C4O1)C=CN3N=C2 Repotrectinib CHEMBL4298138 2670644 DB16826 Repotrectinib BE0009501 NTRK3 Q16288 NTRK3_HUMAN inhibitor Approved; Investigational OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); ROS1 tyrosine kinase inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers C[C@H]1CNC(=O)C2=C3N=C(N[C@H](C)C4=CC(F)=CC=C4O1)C=CN3N=C2 Repotrectinib CHEMBL4298138 2670644 DB16862 Indigo BE0003721 AHR P35869 AHR_HUMAN binder 11425848; 15001395 "Adachi J, Mori Y, Matsui S, Takigami H, Fujino J, Kitagawa H, Miller CA 3rd, Kato T, Saeki K, Matsuda T: Indirubin and indigo are potent aryl hydrocarbon receptor ligands present in human urine. J Biol Chem. 2001 Aug 24;276(34):31475-8. Epub 2001 Jun 25.@@Peter Guengerich F, Martin MV, McCormick WA, Nguyen LP, Glover E, Bradfield CA: Aryl hydrocarbon receptor response to indigoids in vitro and in vivo. Arch Biochem Biophys. 2004 Mar 15;423(2):309-16." Experimental; Investigational "Coloring Agents; Heterocyclic Compounds, Fused-Ring; Indoles; Compounds used in a research, industrial, or household setting" O=C1\C(NC2=C1C=CC=C2)=C1/NC2=C(C=CC=C2)C1=O Indigo CHEMBL599552 1426889 DB17080 KW-6356 BE0000924 ADORA2A P29274 AA2AR_HUMAN antagonist Experimental DB17083 Linzagolix BE0000203 GNRHR P30968 GNRHR_HUMAN antagonist 35690889 "Tezuka M, Tamai Y, Kuramochi Y, Kobayashi K, Fushimi N, Kiguchi S: Pharmacological characterization of linzagolix, a novel, orally active, non-peptide antagonist of gonadotropin-releasing hormone receptors. Clin Exp Pharmacol Physiol. 2022 Oct;49(10):1082-1093. doi: 10.1111/1440-1681.13688. Epub 2022 Jul 12." Approved "Anti-Gonadotropin-Releasing Hormones; OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Gonadotropin Releasing Hormone Receptor Antagonists; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); BCRP/ABCG2 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP3A4 Substrates; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Hypothalamic Hormones; Pituitary and Hypothalamic Hormones and Analogues" COC1=C(COC2=C(OC)C=C(F)C(=C2)N2C(=O)NC3=CSC(C(O)=O)=C3C2=O)C(F)=C(F)C=C1 Linzagolix CHEMBL3668014 2621019 DB17449 Anacaulase BE0000910 A2M P01023 A2MG_HUMAN binder 4201304 "Barrett AJ, Starkey PM: The interaction of alpha 2-macroglobulin with proteinases. Characteristics and specificity of the reaction, and a hypothesis concerning its molecular mechanism. Biochem J. 1973 Aug;133(4):709-24. doi: 10.1042/bj1330709." Approved; Investigational Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Cysteine Endopeptidases; Cytochrome P-450 CYP2C8 Inhibitors; Peptide Hydrolases; Wound Healing; Hydrolases; Administration, Topical; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 Enzyme Inhibitors; Enzymes and Coenzymes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Enzymes" Bromelain_(pharmacology) 2626723 DB17472 Pirtobrutinib BE0001284 BTK Q06187 BTK_HUMAN inhibitor 35747462; 33676628 "Jensen JL, Mato AR, Pena C, Roeker LE, Coombs CC: The potential of pirtobrutinib in multiple B-cell malignancies. Ther Adv Hematol. 2022 Jun 16;13:20406207221101697. doi: 10.1177/20406207221101697. eCollection 2022.@@Mato AR, Shah NN, Jurczak W, Cheah CY, Pagel JM, Woyach JA, Fakhri B, Eyre TA, Lamanna N, Patel MR, Alencar A, Lech-Maranda E, Wierda WG, Coombs CC, Gerson JN, Ghia P, Le Gouill S, Lewis DJ, Sundaram S, Cohen JB, Flinn IW, Tam CS, Barve MA, Kuss B, Taylor J, Abdel-Wahab O, Schuster SJ, Palomba ML, Lewis KL, Roeker LE, Davids MS, Tan XN, Fenske TS, Wallin J, Tsai DE, Ku NC, Zhu E, Chen J, Yin M, Nair B, Ebata K, Marella N, Brown JR, Wang M: Pirtobrutinib in relapsed or refractory B-cell malignancies (BRUIN): a phase 1/2 study. Lancet. 2021 Mar 6;397(10277):892-901. doi: 10.1016/S0140-6736(21)00224-5." Approved; Investigational Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cancer immunotherapy; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Immunotherapy; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Bruton's tyrosine kinase (BTK) inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C19 Inducers; UGT1A9 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) COC1=C(C=C(F)C=C1)C(=O)NCC1=CC=C(C=C1)C1=NN([C@@H](C)C(F)(F)F)C(N)=C1C(N)=O Pirtobrutinib CHEMBL4650485 2629338 DB17493 Bioymifi BE0003433 TNFRSF10B O14763 TR10B_HUMAN binder 23292651; 34633592 "Wang G, Wang X, Yu H, Wei S, Williams N, Holmes DL, Halfmann R, Naidoo J, Wang L, Li L, Chen S, Harran P, Lei X, Wang X: Small-molecule activation of the TRAIL receptor DR5 in human cancer cells. Nat Chem Biol. 2013 Feb;9(2):84-9. doi: 10.1038/nchembio.1153. Epub 2012 Dec 23.@@Alfhili MA, Basudan AM, Aljaser FS, Dera A, Alsughayyir J: Bioymifi, a novel mimetic of TNF-related apoptosis-induced ligand (TRAIL), stimulates eryptosis. Med Oncol. 2021 Oct 11;38(12):138. doi: 10.1007/s12032-021-01589-5." Investigational "Heterocyclic Compounds, Fused-Ring; Thiazoles; Isoindoles; Acids, Carbocyclic; Phthalic Acids; Sulfur Compounds; Receptors, TNF-Related Apoptosis-Inducing Ligand, agonists; Imides" [H]N=C1S\C(=C(\[H])C2=CC=C(O2)C2=CC3=C(C=C2)C(O)=NC3=O)C(=O)N1C1=CC=C(Br)C=C1 DB17587 KIN-3248 BE0000748 FGFR2 P21802 FGFR2_HUMAN inhibitor "Franovic A, Mohan A, Uryu S, Wu Q, Jiang P, Miller N, Tyhonas J, Timple N, Severson P, Kania R, Murphy E, Bardeesy N, Martin E.: Activity of KIN-3248, a next-generation pan-FGFR inhibitor, against acquired FGFR-gatekeeper and molecular-brake drug resistance mutations J Clin Oncol. 2022 Feb 01;40(suppl 4):461-461." Investigational DB17851 Flotufolastat F-18 BE0000568 FOLH1 Q04609 FOLH1_HUMAN binder 35393348; 34992154 "Kroenke M, Schweiger L, Horn T, Haller B, Schwamborn K, Wurzer A, Maurer T, Wester HJ, Eiber M, Rauscher I: Validation of (18)F-rhPSMA-7 and (18)F-rhPSMA-7.3 PET Imaging Results with Histopathology from Salvage Surgery in Patients with Biochemical Recurrence of Prostate Cancer. J Nucl Med. 2022 Dec;63(12):1809-1814. doi: 10.2967/jnumed.121.263707. Epub 2022 Apr 7.@@Langbein T, Wang H, Rauscher I, Kroenke M, Knorr K, Wurzer A, Schwamborn K, Maurer T, Horn T, Haller B, Wester HJ, Eiber M: Utility of (18)F-rhPSMA-7.3 PET for Imaging of Primary Prostate Cancer and Preoperative Efficacy in N-Staging of Unfavorable Intermediate- to Very High-Risk Patients Validated by Histopathology. J Nucl Med. 2022 Sep;63(9):1334-1342. doi: 10.2967/jnumed.121.263440. Epub 2022 Jan 6." Approved; Investigational Diagnostic Radiopharmaceuticals; Fluorine Radioisotopes; Positron Emitting Activity; Radioactive Diagnostic Agent CC(C)(C)[Si]([18F])(C1=CC=C(C=C1)C(=O)NC[C@@H](NC(=O)CC[C@H](N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)N[C@H](CCCCNC(=O)CCC(=O)NCCC[C@@H](NC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(C)(C)C 2637946 DB18704 Efbemalenograstim alfa BE0000793 CSF3R Q99062 CSF3R_HUMAN stimulator Approved Peptides "Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues" "Antineoplastic and Immunomodulating Agents; Colony-Stimulating Factors; Granulocyte Colony-Stimulating Factors; Adjuvants, Immunologic; Leukocyte Growth Factor" Efbemalenograstim_alfa 2670630